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 3a2k_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDKVRAFIH RHQLLSEGAA VIVGVSGGPD SLALLHVFLS LRDEWKLQVI DATA SEQUENCE AAHVDHMFRG RESEEEMEFV KRFcVERRIL cETAQIDVPA FQRSAGLGAQ DATA SEQUENCE EAARICRYRF FAELMEKHQA GYVAVGHHGD DQVETILMRL VRGSTSKGYA DATA SEQUENCE GIPVKRPFHG GYLIRPFLAV SRAEIEAYCR QMGLSPRCDP SNEKDDYTRN DATA SEQUENCE RFRHHIVPLL RQENPRLHER FQQYSEMMAE DEQFLEELAA DALNKVMEKQ DATA SEQUENCE HRDAALSIGP FLELPRPLQR RVLQLLLLRL YGGVPPTLTS VHIGHILMLC DATA SEQUENCE ERGRPSGMID LPKGLKVIRS YDRCLFTFDA ESGEKGYWFE LPVPALLPLP DATA SEQUENCE NGYAIISEFG EHYPRKQAGN DWFVVDPASV SLPLRVRTRR RGDRMVLKGT DATA SEQUENCE GGTKKLKEIF IEAKIPRMER DRWPIVEDAD GRILWVPGLK KSAFEAQNRG DATA SEQUENCE QARYILLQYQ AM 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 0.000 176.357 176.300 0.095 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.634 32.600 0.057 0.000 1.302 2 I N -0.412 120.211 120.570 0.088 0.000 3.969 2 I HA -0.449 3.721 4.170 -0.000 0.000 0.133 2 I C 0.770 176.960 176.117 0.123 0.000 0.412 2 I CA 2.243 63.623 61.300 0.134 0.000 1.227 2 I CB -1.489 36.617 38.000 0.177 0.000 1.082 2 I HN 0.842 nan 8.210 nan 0.000 0.204 3 D N -0.207 120.262 120.400 0.115 0.000 2.526 3 D HA 0.086 4.726 4.640 -0.000 0.000 0.293 3 D C 1.535 177.908 176.300 0.122 0.000 1.081 3 D CA 0.418 54.484 54.000 0.110 0.000 0.924 3 D CB -0.403 40.446 40.800 0.082 0.000 1.498 3 D HN 0.281 nan 8.370 nan 0.000 0.497 4 K N 0.570 121.035 120.400 0.109 0.000 2.020 4 K HA -0.122 4.198 4.320 -0.000 0.000 0.212 4 K C 2.069 178.762 176.600 0.154 0.000 1.050 4 K CA 1.794 58.146 56.287 0.109 0.000 0.929 4 K CB -0.228 32.319 32.500 0.079 0.000 0.714 4 K HN 0.115 nan 8.250 nan 0.000 0.443 5 V N 1.134 121.142 119.914 0.158 0.000 2.667 5 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 5 V C 2.205 178.458 176.094 0.265 0.000 1.065 5 V CA 1.415 63.851 62.300 0.227 0.000 1.083 5 V CB -0.342 31.612 31.823 0.219 0.000 0.692 5 V HN 0.270 nan 8.190 nan 0.000 0.468 6 R N -0.207 120.420 120.500 0.213 0.000 2.090 6 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 6 R C 2.301 178.750 176.300 0.249 0.000 1.110 6 R CA 1.420 57.660 56.100 0.233 0.000 0.973 6 R CB -0.496 29.927 30.300 0.207 0.000 0.869 6 R HN 0.582 nan 8.270 nan 0.000 0.440 7 A N 0.933 123.878 122.820 0.208 0.000 1.865 7 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 7 A C 1.952 179.654 177.584 0.196 0.000 1.191 7 A CA 1.430 53.573 52.037 0.177 0.000 0.623 7 A CB -0.969 18.113 19.000 0.136 0.000 0.826 7 A HN 0.466 nan 8.150 nan 0.000 0.444 8 F N 1.127 121.106 119.950 0.048 0.000 2.115 8 F HA -0.257 4.269 4.527 -0.001 0.000 0.300 8 F C 2.073 177.883 175.800 0.017 0.000 1.092 8 F CA 1.694 59.699 58.000 0.008 0.000 1.245 8 F CB -0.168 38.895 39.000 0.104 0.000 0.995 8 F HN 0.195 nan 8.300 nan 0.000 0.481 9 I N -0.827 119.833 120.570 0.149 0.000 2.226 9 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 9 I C 2.360 178.449 176.117 -0.046 0.000 1.100 9 I CA 1.890 63.215 61.300 0.041 0.000 1.374 9 I CB -1.773 36.297 38.000 0.118 0.000 1.057 9 I HN 0.243 nan 8.210 nan 0.000 0.413 10 H N 0.634 119.675 119.070 -0.047 0.000 2.317 10 H HA 0.017 4.573 4.556 -0.001 0.000 0.304 10 H C 2.462 177.706 175.328 -0.140 0.000 1.067 10 H CA 1.158 57.167 56.048 -0.066 0.000 1.352 10 H CB 0.146 29.920 29.762 0.021 0.000 1.398 10 H HN -0.058 nan 8.280 nan 0.000 0.510 11 R N 0.263 120.722 120.500 -0.069 0.000 2.162 11 R HA -0.187 4.153 4.340 -0.000 0.000 0.245 11 R C 0.982 177.066 176.300 -0.359 0.000 1.129 11 R CA 2.048 57.972 56.100 -0.293 0.000 0.940 11 R CB -0.679 29.277 30.300 -0.574 0.000 0.875 11 R HN 0.580 nan 8.270 nan 0.000 0.437 12 H N 0.241 119.174 119.070 -0.228 0.000 2.519 12 H HA 0.109 4.664 4.556 -0.001 0.000 0.289 12 H C 0.848 176.036 175.328 -0.233 0.000 1.040 12 H CA -0.031 55.856 56.048 -0.268 0.000 1.165 12 H CB 0.062 29.572 29.762 -0.421 0.000 1.462 12 H HN 0.170 nan 8.280 nan 0.000 0.555 13 Q N 0.309 120.015 119.800 -0.158 0.000 1.085 13 Q HA -0.301 4.039 4.340 -0.000 0.000 0.438 13 Q C 1.225 177.125 176.000 -0.166 0.000 1.024 13 Q CA 1.226 56.903 55.803 -0.210 0.000 0.456 13 Q CB -0.688 27.941 28.738 -0.182 0.000 5.216 13 Q HN 0.531 nan 8.270 nan 0.000 0.509 14 L N -1.209 119.934 121.223 -0.134 0.000 4.497 14 L HA -0.349 3.991 4.340 -0.000 0.000 0.457 14 L C 1.273 178.046 176.870 -0.162 0.000 1.059 14 L CA 1.154 55.959 54.840 -0.058 0.000 0.959 14 L CB -0.959 41.123 42.059 0.038 0.000 1.738 14 L HN 0.531 nan 8.230 nan 0.000 1.114 15 L N -2.288 118.836 121.223 -0.166 0.000 2.202 15 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 15 L C 1.507 178.447 176.870 0.117 0.000 1.083 15 L CA 1.083 55.831 54.840 -0.154 0.000 0.790 15 L CB -0.079 41.921 42.059 -0.099 0.000 0.942 15 L HN 0.211 nan 8.230 nan 0.000 0.452 16 S N 0.609 116.287 115.700 -0.037 0.000 2.222 16 S HA 0.276 4.746 4.470 -0.000 0.000 0.173 16 S C -0.319 174.114 174.600 -0.278 0.000 1.466 16 S CA -0.412 57.686 58.200 -0.171 0.000 1.184 16 S CB -0.287 62.656 63.200 -0.429 0.000 1.168 16 S HN 0.231 nan 8.310 nan 0.000 0.475 17 E N 1.274 121.447 120.200 -0.046 0.000 2.768 17 E HA 0.472 4.822 4.350 -0.000 0.000 0.290 17 E C 0.189 176.698 176.600 -0.151 0.000 1.100 17 E CA -0.396 55.932 56.400 -0.119 0.000 0.768 17 E CB 1.065 30.730 29.700 -0.057 0.000 1.501 17 E HN 0.669 nan 8.360 nan 0.000 0.384 18 G N 1.081 109.770 108.800 -0.186 0.000 1.969 18 G HA2 0.212 4.172 3.960 -0.000 0.000 0.055 18 G HA3 0.212 4.172 3.960 -0.000 0.000 0.055 18 G C 0.012 174.812 174.900 -0.167 0.000 0.734 18 G CA 0.393 45.370 45.100 -0.206 0.000 1.109 18 G HN 0.576 nan 8.290 nan 0.000 0.348 19 A N -1.378 121.313 122.820 -0.215 0.000 2.558 19 A HA 0.797 5.117 4.320 -0.000 0.000 0.153 19 A C 0.520 178.027 177.584 -0.128 0.000 1.751 19 A CA 1.490 53.447 52.037 -0.133 0.000 1.222 19 A CB -0.286 18.661 19.000 -0.090 0.000 1.413 19 A HN 2.311 nan 8.150 nan 0.000 0.398 20 A N 0.317 123.019 122.820 -0.196 0.000 2.340 20 A HA 0.694 5.014 4.320 -0.000 0.000 0.297 20 A C -1.012 176.506 177.584 -0.109 0.000 1.195 20 A CA -0.322 51.638 52.037 -0.128 0.000 0.769 20 A CB 1.206 20.141 19.000 -0.108 0.000 1.163 20 A HN 1.147 nan 8.150 nan 0.000 0.472 21 V N 3.736 123.650 119.914 -0.000 0.000 2.914 21 V HA 0.672 4.791 4.120 -0.000 0.000 0.314 21 V C -1.066 175.066 176.094 0.063 0.000 1.084 21 V CA -0.756 61.615 62.300 0.119 0.000 0.963 21 V CB 2.024 34.074 31.823 0.379 0.000 1.025 21 V HN 0.730 nan 8.190 nan 0.000 0.432 22 I N 5.721 126.334 120.570 0.071 0.000 2.495 22 I HA 0.354 4.524 4.170 -0.000 0.000 0.277 22 I C -0.513 175.659 176.117 0.091 0.000 1.045 22 I CA -0.599 60.711 61.300 0.016 0.000 1.135 22 I CB 1.780 39.758 38.000 -0.037 0.000 1.241 22 I HN 0.374 nan 8.210 nan 0.000 0.469 23 V N 6.946 126.868 119.914 0.015 0.000 2.334 23 V HA 0.642 4.762 4.120 -0.000 0.000 0.267 23 V C 0.678 176.833 176.094 0.101 0.000 1.040 23 V CA -0.055 62.199 62.300 -0.077 0.000 0.866 23 V CB 0.747 32.287 31.823 -0.471 0.000 1.019 23 V HN 0.734 nan 8.190 nan 0.000 0.468 24 G N 5.022 114.023 108.800 0.335 0.000 2.539 24 G HA2 0.541 4.500 3.960 -0.000 0.000 0.258 24 G HA3 0.541 4.500 3.960 -0.000 0.000 0.258 24 G C -0.941 174.127 174.900 0.280 0.000 1.202 24 G CA -0.329 45.084 45.100 0.521 0.000 0.851 24 G HN 1.000 nan 8.290 nan 0.000 0.556 25 V N 0.170 120.248 119.914 0.273 0.000 2.891 25 V HA 0.488 4.608 4.120 -0.000 0.000 0.304 25 V C -0.047 176.036 176.094 -0.018 0.000 1.171 25 V CA -0.474 61.885 62.300 0.098 0.000 0.943 25 V CB 1.915 33.763 31.823 0.042 0.000 1.037 25 V HN 0.913 nan 8.190 nan 0.000 0.427 26 S N 2.100 117.761 115.700 -0.065 0.000 3.609 26 S HA 0.471 4.940 4.470 -0.000 0.000 0.182 26 S C 1.442 175.958 174.600 -0.141 0.000 0.942 26 S CA 0.445 58.605 58.200 -0.066 0.000 1.310 26 S CB 0.148 63.476 63.200 0.212 0.000 1.020 26 S HN 1.096 nan 8.310 nan 0.000 0.841 27 G N 0.729 109.549 108.800 0.033 0.000 2.911 27 G HA2 0.133 4.093 3.960 -0.000 0.000 0.193 27 G HA3 0.133 4.093 3.960 -0.000 0.000 0.193 27 G C 0.790 175.684 174.900 -0.010 0.000 1.364 27 G CA 1.500 46.631 45.100 0.052 0.000 0.798 27 G HN 0.810 nan 8.290 nan 0.000 0.749 28 G N -1.316 107.471 108.800 -0.022 0.000 2.830 28 G HA2 0.391 4.351 3.960 -0.000 0.000 0.177 28 G HA3 0.391 4.351 3.960 -0.000 0.000 0.177 28 G C -1.194 173.666 174.900 -0.065 0.000 1.649 28 G CA 0.760 45.829 45.100 -0.052 0.000 0.867 28 G HN 0.328 nan 8.290 nan 0.000 0.780 29 P HA -0.175 nan 4.420 nan 0.000 0.221 29 P C 0.873 178.119 177.300 -0.089 0.000 1.160 29 P CA 2.101 65.147 63.100 -0.091 0.000 0.933 29 P CB -0.050 31.593 31.700 -0.094 0.000 0.793 30 D N -0.847 119.501 120.400 -0.086 0.000 2.078 30 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 30 D C 2.142 178.437 176.300 -0.008 0.000 0.990 30 D CA 2.017 55.964 54.000 -0.089 0.000 0.827 30 D CB -1.224 39.541 40.800 -0.059 0.000 0.975 30 D HN 0.250 nan 8.370 nan 0.000 0.451 31 S N 0.701 116.405 115.700 0.007 0.000 2.382 31 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 31 S C 2.293 176.929 174.600 0.060 0.000 1.027 31 S CA 0.632 58.857 58.200 0.041 0.000 0.991 31 S CB -0.757 62.436 63.200 -0.011 0.000 0.823 31 S HN 0.217 nan 8.310 nan 0.000 0.469 32 L N 1.571 122.795 121.223 0.001 0.000 2.027 32 L HA -0.052 4.287 4.340 -0.000 0.000 0.206 32 L C 3.204 180.114 176.870 0.067 0.000 1.074 32 L CA 1.178 55.995 54.840 -0.037 0.000 0.745 32 L CB -1.072 40.884 42.059 -0.171 0.000 0.898 32 L HN 0.429 nan 8.230 nan 0.000 0.433 33 A N 0.296 123.167 122.820 0.085 0.000 1.917 33 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 33 A C 2.314 180.151 177.584 0.422 0.000 1.182 33 A CA 1.774 53.934 52.037 0.206 0.000 0.633 33 A CB -0.834 18.214 19.000 0.081 0.000 0.819 33 A HN 0.395 nan 8.150 nan 0.000 0.448 34 L N -0.626 120.894 121.223 0.496 0.000 1.941 34 L HA -0.238 4.102 4.340 -0.000 0.000 0.224 34 L C 2.467 179.550 176.870 0.355 0.000 1.081 34 L CA 1.861 57.033 54.840 0.554 0.000 0.784 34 L CB -0.422 41.849 42.059 0.355 0.000 0.894 34 L HN 0.368 nan 8.230 nan 0.000 0.436 35 L N -0.239 121.147 121.223 0.273 0.000 2.064 35 L HA -0.449 3.891 4.340 -0.000 0.000 0.234 35 L C 2.507 179.665 176.870 0.479 0.000 1.103 35 L CA 2.755 57.800 54.840 0.342 0.000 0.824 35 L CB -1.697 40.611 42.059 0.414 0.000 0.919 35 L HN 0.609 nan 8.230 nan 0.000 0.447 36 H N -0.663 118.666 119.070 0.431 0.000 2.255 36 H HA -0.196 4.360 4.556 -0.000 0.000 0.290 36 H C 2.069 177.638 175.328 0.402 0.000 1.087 36 H CA 3.053 59.369 56.048 0.447 0.000 1.213 36 H CB -0.079 29.939 29.762 0.427 0.000 1.349 36 H HN 0.160 nan 8.280 nan 0.000 0.487 37 V N -0.089 120.222 119.914 0.662 0.000 2.469 37 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 37 V C 2.275 178.579 176.094 0.350 0.000 1.064 37 V CA 1.773 64.357 62.300 0.475 0.000 1.066 37 V CB -0.978 31.037 31.823 0.320 0.000 0.667 37 V HN 0.296 nan 8.190 nan 0.000 0.461 38 F N 0.113 120.164 119.950 0.167 0.000 2.031 38 F HA -0.093 4.434 4.527 -0.001 0.000 0.295 38 F C 2.242 178.107 175.800 0.109 0.000 1.133 38 F CA 1.365 59.432 58.000 0.113 0.000 1.188 38 F CB -0.594 38.468 39.000 0.103 0.000 0.974 38 F HN -0.038 nan 8.300 nan 0.000 0.473 39 L N -0.244 121.149 121.223 0.283 0.000 2.011 39 L HA -0.418 3.922 4.340 -0.000 0.000 0.225 39 L C 2.648 179.552 176.870 0.057 0.000 1.084 39 L CA 2.266 57.184 54.840 0.129 0.000 0.791 39 L CB -0.876 41.230 42.059 0.078 0.000 0.898 39 L HN 0.310 nan 8.230 nan 0.000 0.440 40 S N -0.570 115.166 115.700 0.060 0.000 2.370 40 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 40 S C 1.772 176.388 174.600 0.026 0.000 1.033 40 S CA 1.028 59.253 58.200 0.041 0.000 1.011 40 S CB -0.521 62.729 63.200 0.084 0.000 0.852 40 S HN 0.322 nan 8.310 nan 0.000 0.457 41 L N 0.740 121.982 121.223 0.033 0.000 2.554 41 L HA 0.226 4.566 4.340 -0.000 0.000 0.226 41 L C 2.603 179.479 176.870 0.010 0.000 1.137 41 L CA 0.742 55.592 54.840 0.016 0.000 0.863 41 L CB -0.778 41.310 42.059 0.049 0.000 0.985 41 L HN 0.366 nan 8.230 nan 0.000 0.451 42 R N -0.061 120.417 120.500 -0.036 0.000 2.112 42 R HA -0.072 4.268 4.340 -0.000 0.000 0.216 42 R C 1.579 177.890 176.300 0.018 0.000 1.080 42 R CA 0.768 56.851 56.100 -0.029 0.000 0.996 42 R CB 0.198 30.461 30.300 -0.061 0.000 0.902 42 R HN 0.320 nan 8.270 nan 0.000 0.449 43 D N 0.740 121.142 120.400 0.004 0.000 2.084 43 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 43 D C 1.605 177.896 176.300 -0.015 0.000 0.990 43 D CA 1.131 55.129 54.000 -0.003 0.000 0.826 43 D CB -0.333 40.458 40.800 -0.014 0.000 0.971 43 D HN 0.284 nan 8.370 nan 0.000 0.453 44 E N -1.137 119.031 120.200 -0.053 0.000 2.273 44 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 44 E C 0.462 176.939 176.600 -0.206 0.000 1.002 44 E CA 0.784 57.081 56.400 -0.172 0.000 0.828 44 E CB -0.022 29.540 29.700 -0.229 0.000 0.747 44 E HN 0.468 nan 8.360 nan 0.000 0.491 45 W N 0.459 121.741 121.300 -0.030 0.000 1.641 45 W HA 0.232 4.892 4.660 -0.001 0.000 0.294 45 W C -0.543 175.951 176.519 -0.043 0.000 0.886 45 W CA -0.715 56.613 57.345 -0.029 0.000 2.194 45 W CB 0.914 30.353 29.460 -0.035 0.000 1.139 45 W HN -0.205 nan 8.180 nan 0.000 0.502 46 K N 1.801 122.318 120.400 0.196 0.000 3.315 46 K HA -0.172 4.148 4.320 -0.000 0.000 0.270 46 K C -1.982 174.644 176.600 0.043 0.000 1.139 46 K CA 0.558 56.910 56.287 0.109 0.000 0.806 46 K CB -1.297 31.282 32.500 0.132 0.000 1.300 46 K HN 0.153 nan 8.250 nan 0.000 0.475 47 L N 1.732 122.971 121.223 0.026 0.000 2.549 47 L HA 0.287 4.627 4.340 -0.000 0.000 0.259 47 L C -0.371 176.498 176.870 -0.001 0.000 0.934 47 L CA 0.018 54.854 54.840 -0.005 0.000 0.865 47 L CB 1.603 43.651 42.059 -0.019 0.000 1.352 47 L HN 0.421 nan 8.230 nan 0.000 0.410 48 Q N 2.687 122.484 119.800 -0.005 0.000 2.398 48 Q HA 0.658 4.997 4.340 -0.000 0.000 0.251 48 Q C -1.379 174.642 176.000 0.035 0.000 0.999 48 Q CA -0.434 55.376 55.803 0.010 0.000 0.874 48 Q CB 1.368 30.108 28.738 0.003 0.000 1.215 48 Q HN 0.458 nan 8.270 nan 0.000 0.470 49 V N 5.593 125.547 119.914 0.066 0.000 2.607 49 V HA 0.393 4.513 4.120 -0.000 0.000 0.289 49 V C 0.187 176.314 176.094 0.055 0.000 1.053 49 V CA -0.397 61.979 62.300 0.127 0.000 0.996 49 V CB 1.186 33.123 31.823 0.189 0.000 0.995 49 V HN 0.809 nan 8.190 nan 0.000 0.476 50 I N 3.328 123.920 120.570 0.037 0.000 2.540 50 I HA 0.450 4.620 4.170 -0.000 0.000 0.280 50 I C 0.309 176.416 176.117 -0.016 0.000 1.083 50 I CA -0.402 60.874 61.300 -0.041 0.000 1.080 50 I CB 1.511 39.388 38.000 -0.204 0.000 1.205 50 I HN 0.724 nan 8.210 nan 0.000 0.459 51 A N 4.898 127.736 122.820 0.030 0.000 2.445 51 A HA 0.753 5.073 4.320 -0.000 0.000 0.242 51 A C 0.167 177.780 177.584 0.048 0.000 1.075 51 A CA 0.073 52.149 52.037 0.065 0.000 0.777 51 A CB 0.425 19.496 19.000 0.118 0.000 1.013 51 A HN 0.859 nan 8.150 nan 0.000 0.493 52 A N 2.069 124.935 122.820 0.077 0.000 2.497 52 A HA 0.596 4.916 4.320 -0.000 0.000 0.280 52 A C -0.786 176.896 177.584 0.163 0.000 1.065 52 A CA -0.327 51.748 52.037 0.063 0.000 0.781 52 A CB 0.533 19.447 19.000 -0.144 0.000 1.289 52 A HN 1.127 nan 8.150 nan 0.000 0.415 53 H N 1.975 121.074 119.070 0.048 0.000 2.589 53 H HA 0.696 5.252 4.556 -0.000 0.000 0.351 53 H C -1.883 173.371 175.328 -0.122 0.000 1.074 53 H CA -0.741 55.319 56.048 0.021 0.000 1.203 53 H CB 1.931 31.717 29.762 0.039 0.000 1.558 53 H HN 0.527 nan 8.280 nan 0.000 0.522 54 V N 4.311 124.064 119.914 -0.269 0.000 2.581 54 V HA 0.164 4.284 4.120 -0.000 0.000 0.303 54 V C -0.766 174.846 176.094 -0.803 0.000 1.041 54 V CA -0.440 61.507 62.300 -0.589 0.000 0.907 54 V CB 1.918 33.480 31.823 -0.435 0.000 0.994 54 V HN 0.903 nan 8.190 nan 0.000 0.442 55 D N 3.664 123.615 120.400 -0.749 0.000 2.256 55 D HA 0.421 5.060 4.640 -0.000 0.000 0.240 55 D C -0.079 175.935 176.300 -0.476 0.000 1.062 55 D CA -0.293 53.303 54.000 -0.672 0.000 0.832 55 D CB 0.716 41.267 40.800 -0.415 0.000 1.135 55 D HN 0.718 nan 8.370 nan 0.000 0.484 56 H N 2.029 121.099 119.070 0.000 0.000 2.497 56 H HA 0.345 4.901 4.556 -0.000 0.000 0.348 56 H C -0.269 175.097 175.328 0.062 0.000 1.335 56 H CA -1.011 55.067 56.048 0.051 0.000 1.395 56 H CB 0.732 30.568 29.762 0.124 0.000 1.658 56 H HN 0.332 nan 8.280 nan 0.000 0.613 57 M N 1.457 121.203 119.600 0.243 0.000 2.144 57 M HA 0.203 4.683 4.480 -0.000 0.000 0.356 57 M C -0.770 175.723 176.300 0.321 0.000 1.217 57 M CA 0.006 55.415 55.300 0.181 0.000 1.087 57 M CB -0.159 32.520 32.600 0.130 0.000 1.609 57 M HN 0.738 nan 8.290 nan 0.000 0.467 58 F N 2.765 122.774 119.950 0.097 0.000 2.510 58 F HA 0.211 4.738 4.527 -0.000 0.000 0.460 58 F C 0.256 176.103 175.800 0.079 0.000 0.883 58 F CA 0.340 58.392 58.000 0.088 0.000 0.631 58 F CB -0.576 38.485 39.000 0.102 0.000 1.433 58 F HN 0.727 nan 8.300 nan 0.000 0.496 59 R N 1.311 121.445 120.500 -0.610 0.000 3.701 59 R HA -0.002 4.338 4.340 -0.000 0.000 0.524 59 R C 1.194 177.273 176.300 -0.369 0.000 0.241 59 R CA 2.692 58.541 56.100 -0.419 0.000 1.632 59 R CB -1.592 28.616 30.300 -0.154 0.000 0.952 59 R HN 2.131 nan 8.270 nan 0.000 0.587 60 G N -0.699 108.006 108.800 -0.159 0.000 2.512 60 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.254 60 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.254 60 G C 0.487 175.344 174.900 -0.071 0.000 1.199 60 G CA 1.355 46.407 45.100 -0.080 0.000 0.941 60 G HN 0.890 nan 8.290 nan 0.000 0.569 61 R N 0.671 121.154 120.500 -0.029 0.000 2.152 61 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 61 R C 1.923 178.221 176.300 -0.005 0.000 1.117 61 R CA 2.197 58.299 56.100 0.003 0.000 0.981 61 R CB -0.335 29.981 30.300 0.026 0.000 0.870 61 R HN 0.477 nan 8.270 nan 0.000 0.451 62 E N 1.798 121.958 120.200 -0.065 0.000 2.007 62 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 62 E C 2.217 178.777 176.600 -0.067 0.000 0.999 62 E CA 2.055 58.415 56.400 -0.066 0.000 0.811 62 E CB -0.365 29.226 29.700 -0.182 0.000 0.762 62 E HN 0.444 nan 8.360 nan 0.000 0.450 63 S N 0.499 116.087 115.700 -0.186 0.000 2.368 63 S HA -0.303 4.167 4.470 -0.000 0.000 0.226 63 S C 1.941 176.524 174.600 -0.028 0.000 1.044 63 S CA 1.853 59.981 58.200 -0.120 0.000 1.062 63 S CB -0.390 62.711 63.200 -0.166 0.000 0.931 63 S HN 0.248 nan 8.310 nan 0.000 0.440 64 E N 1.048 121.239 120.200 -0.015 0.000 2.008 64 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 64 E C 2.427 179.092 176.600 0.109 0.000 0.986 64 E CA 1.434 57.849 56.400 0.025 0.000 0.807 64 E CB -0.243 29.465 29.700 0.015 0.000 0.766 64 E HN 0.694 nan 8.360 nan 0.000 0.450 65 E N 0.890 121.191 120.200 0.168 0.000 2.033 65 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 65 E C 2.083 178.929 176.600 0.410 0.000 1.011 65 E CA 1.541 58.162 56.400 0.367 0.000 0.815 65 E CB -0.133 29.706 29.700 0.231 0.000 0.755 65 E HN 0.254 nan 8.360 nan 0.000 0.451 66 E N 0.491 120.826 120.200 0.225 0.000 2.055 66 E HA -0.303 4.047 4.350 -0.000 0.000 0.209 66 E C 2.123 178.896 176.600 0.289 0.000 1.036 66 E CA 1.865 58.394 56.400 0.216 0.000 0.849 66 E CB -0.274 29.546 29.700 0.200 0.000 0.767 66 E HN 0.232 nan 8.360 nan 0.000 0.461 67 M N 0.872 120.638 119.600 0.277 0.000 2.082 67 M HA -0.262 4.218 4.480 -0.000 0.000 0.258 67 M C 1.751 178.136 176.300 0.141 0.000 1.069 67 M CA 1.904 57.331 55.300 0.212 0.000 1.102 67 M CB 0.035 32.649 32.600 0.022 0.000 1.336 67 M HN -0.008 nan 8.290 nan 0.000 0.404 68 E N -0.801 119.445 120.200 0.076 0.000 2.216 68 E HA -0.092 4.257 4.350 -0.000 0.000 0.192 68 E C 1.505 178.032 176.600 -0.121 0.000 0.988 68 E CA 1.148 57.506 56.400 -0.070 0.000 0.834 68 E CB -0.107 29.471 29.700 -0.203 0.000 0.772 68 E HN 0.559 nan 8.360 nan 0.000 0.479 69 F N -0.087 119.905 119.950 0.070 0.000 2.710 69 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 69 F C 2.095 177.956 175.800 0.101 0.000 1.137 69 F CA 0.305 58.346 58.000 0.069 0.000 1.444 69 F CB 0.064 39.085 39.000 0.035 0.000 1.111 69 F HN -0.016 nan 8.300 nan 0.000 0.580 70 V N -1.715 118.351 119.914 0.253 0.000 2.346 70 V HA -0.132 3.988 4.120 -0.000 0.000 0.244 70 V C 2.308 178.537 176.094 0.224 0.000 1.037 70 V CA 1.093 63.539 62.300 0.244 0.000 1.029 70 V CB -0.572 31.384 31.823 0.221 0.000 0.663 70 V HN 0.066 nan 8.190 nan 0.000 0.454 71 K N 1.909 122.394 120.400 0.141 0.000 2.034 71 K HA -0.240 4.080 4.320 -0.000 0.000 0.214 71 K C 2.390 179.036 176.600 0.077 0.000 1.051 71 K CA 2.619 58.953 56.287 0.079 0.000 0.931 71 K CB -0.737 31.773 32.500 0.016 0.000 0.715 71 K HN 0.766 nan 8.250 nan 0.000 0.446 72 R N -0.095 120.444 120.500 0.066 0.000 2.285 72 R HA -0.060 4.280 4.340 -0.000 0.000 0.213 72 R C 2.040 178.447 176.300 0.178 0.000 1.068 72 R CA 0.969 57.112 56.100 0.071 0.000 1.004 72 R CB -0.381 29.927 30.300 0.012 0.000 0.873 72 R HN 0.106 nan 8.270 nan 0.000 0.467 73 F N 1.184 121.173 119.950 0.065 0.000 2.262 73 F HA 0.092 4.618 4.527 -0.000 0.000 0.292 73 F C 2.036 177.875 175.800 0.065 0.000 1.081 73 F CA -0.059 57.989 58.000 0.081 0.000 1.355 73 F CB -0.345 38.721 39.000 0.109 0.000 1.069 73 F HN -0.015 nan 8.300 nan 0.000 0.506 74 c N 0.231 118.849 118.600 0.030 0.000 2.398 74 c HA -0.191 4.378 4.570 -0.000 0.000 0.276 74 c C 2.928 176.953 174.090 -0.108 0.000 1.222 74 c CA 1.503 57.795 56.329 -0.061 0.000 1.746 74 c CB -1.394 41.132 42.510 0.027 0.000 2.039 74 c HN 0.489 nan 8.230 nan 0.000 0.470 75 V N -0.110 119.771 119.914 -0.055 0.000 2.270 75 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 75 V C 2.012 178.055 176.094 -0.086 0.000 1.043 75 V CA 2.134 64.402 62.300 -0.052 0.000 1.014 75 V CB -1.262 30.549 31.823 -0.019 0.000 0.645 75 V HN 0.531 nan 8.190 nan 0.000 0.447 76 E N 0.355 120.500 120.200 -0.091 0.000 2.393 76 E HA -0.114 4.236 4.350 -0.000 0.000 0.201 76 E C 1.222 177.702 176.600 -0.201 0.000 1.025 76 E CA 0.868 57.211 56.400 -0.095 0.000 0.856 76 E CB -0.065 29.643 29.700 0.013 0.000 0.771 76 E HN 0.603 nan 8.360 nan 0.000 0.526 77 R N -0.112 120.206 120.500 -0.304 0.000 2.617 77 R HA 0.204 4.544 4.340 -0.000 0.000 0.432 77 R C -0.769 175.427 176.300 -0.174 0.000 1.018 77 R CA -0.303 55.637 56.100 -0.266 0.000 1.077 77 R CB 0.578 30.630 30.300 -0.414 0.000 1.394 77 R HN -0.016 nan 8.270 nan 0.000 0.608 78 R N 1.048 121.476 120.500 -0.120 0.000 3.022 78 R HA -0.168 4.172 4.340 -0.000 0.000 0.248 78 R C -0.632 175.631 176.300 -0.063 0.000 0.874 78 R CA 0.833 56.890 56.100 -0.072 0.000 0.626 78 R CB -1.285 28.984 30.300 -0.052 0.000 1.255 78 R HN 0.358 nan 8.270 nan 0.000 0.496 79 I N 1.734 122.265 120.570 -0.065 0.000 2.499 79 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 79 I C -0.034 176.076 176.117 -0.010 0.000 1.048 79 I CA -1.296 59.982 61.300 -0.036 0.000 1.062 79 I CB 1.764 39.736 38.000 -0.046 0.000 1.238 79 I HN 0.047 nan 8.210 nan 0.000 0.426 80 L N 7.233 128.458 121.223 0.004 0.000 2.584 80 L HA -0.034 4.306 4.340 -0.000 0.000 0.272 80 L C 0.069 176.950 176.870 0.018 0.000 1.195 80 L CA 0.611 55.462 54.840 0.018 0.000 0.920 80 L CB 0.351 42.432 42.059 0.035 0.000 1.173 80 L HN 0.747 nan 8.230 nan 0.000 0.489 81 c N 5.546 124.165 118.600 0.031 0.000 2.626 81 c HA 0.310 4.879 4.570 -0.000 0.000 0.356 81 c C 0.601 174.725 174.090 0.055 0.000 1.398 81 c CA -0.876 55.482 56.329 0.048 0.000 1.678 81 c CB -1.426 41.117 42.510 0.055 0.000 2.430 81 c HN 0.882 nan 8.230 nan 0.000 0.561 82 E N 2.184 122.413 120.200 0.049 0.000 2.734 82 E HA 0.017 4.367 4.350 -0.000 0.000 0.235 82 E C 0.361 177.033 176.600 0.119 0.000 1.107 82 E CA 0.914 57.359 56.400 0.076 0.000 0.951 82 E CB 0.252 29.973 29.700 0.035 0.000 0.955 82 E HN 0.640 nan 8.360 nan 0.000 0.515 83 T N 2.671 117.273 114.554 0.078 0.000 2.944 83 T HA 0.867 5.217 4.350 -0.000 0.000 0.284 83 T C -0.501 174.153 174.700 -0.076 0.000 1.010 83 T CA 0.012 62.110 62.100 -0.005 0.000 1.025 83 T CB 1.601 70.447 68.868 -0.037 0.000 1.079 83 T HN 0.629 nan 8.240 nan 0.000 0.516 84 A N 1.095 123.742 122.820 -0.289 0.000 2.467 84 A HA 0.801 5.120 4.320 -0.000 0.000 0.301 84 A C -1.868 175.451 177.584 -0.442 0.000 1.126 84 A CA -0.786 51.013 52.037 -0.397 0.000 0.632 84 A CB 1.579 20.151 19.000 -0.713 0.000 1.331 84 A HN 0.728 nan 8.150 nan 0.000 0.482 85 Q N 0.063 119.639 119.800 -0.373 0.000 2.468 85 Q HA 0.594 4.933 4.340 -0.000 0.000 0.263 85 Q C -2.384 173.486 176.000 -0.216 0.000 0.979 85 Q CA -0.487 55.129 55.803 -0.312 0.000 0.932 85 Q CB 1.460 30.054 28.738 -0.239 0.000 1.462 85 Q HN 0.768 nan 8.270 nan 0.000 0.403 86 I N 3.627 124.093 120.570 -0.173 0.000 2.478 86 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 86 I C -0.946 175.161 176.117 -0.017 0.000 1.042 86 I CA -0.557 60.696 61.300 -0.079 0.000 1.067 86 I CB 2.024 39.996 38.000 -0.047 0.000 1.233 86 I HN 0.728 nan 8.210 nan 0.000 0.431 87 D N 5.274 125.672 120.400 -0.003 0.000 2.525 87 D HA 0.053 4.693 4.640 -0.000 0.000 0.229 87 D C 1.323 177.664 176.300 0.069 0.000 1.202 87 D CA 0.364 54.387 54.000 0.039 0.000 0.828 87 D CB 0.881 41.692 40.800 0.019 0.000 1.008 87 D HN 0.401 nan 8.370 nan 0.000 0.493 88 V N -2.511 117.447 119.914 0.074 0.000 3.331 88 V HA 0.228 4.348 4.120 -0.000 0.000 0.332 88 V C -1.490 174.692 176.094 0.147 0.000 1.341 88 V CA -0.731 61.648 62.300 0.131 0.000 1.218 88 V CB 0.189 32.080 31.823 0.112 0.000 1.152 88 V HN -0.172 nan 8.190 nan 0.000 0.445 89 P HA -0.229 nan 4.420 nan 0.000 0.217 89 P C 2.004 179.377 177.300 0.122 0.000 1.158 89 P CA 2.951 66.126 63.100 0.124 0.000 0.887 89 P CB -0.037 31.742 31.700 0.132 0.000 0.792 90 A N -2.445 120.453 122.820 0.130 0.000 2.019 90 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 90 A C 2.001 179.653 177.584 0.113 0.000 1.164 90 A CA 1.382 53.486 52.037 0.112 0.000 0.644 90 A CB -1.600 17.468 19.000 0.114 0.000 0.805 90 A HN 0.193 nan 8.150 nan 0.000 0.449 91 F N -1.306 118.666 119.950 0.036 0.000 2.717 91 F HA 0.133 4.660 4.527 -0.000 0.000 0.295 91 F C 2.220 178.041 175.800 0.034 0.000 1.117 91 F CA 0.794 58.812 58.000 0.031 0.000 1.361 91 F CB 0.289 39.305 39.000 0.027 0.000 1.112 91 F HN 0.272 nan 8.300 nan 0.000 0.594 92 Q N 0.956 120.880 119.800 0.206 0.000 2.020 92 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 92 Q C 1.955 177.998 176.000 0.072 0.000 0.974 92 Q CA 1.779 57.667 55.803 0.141 0.000 0.829 92 Q CB -0.129 28.682 28.738 0.122 0.000 0.894 92 Q HN 0.286 nan 8.270 nan 0.000 0.433 93 R N -0.547 119.983 120.500 0.050 0.000 2.285 93 R HA 0.083 4.422 4.340 -0.000 0.000 0.213 93 R C 1.851 178.132 176.300 -0.032 0.000 1.068 93 R CA 0.883 56.993 56.100 0.018 0.000 1.004 93 R CB -0.131 30.184 30.300 0.026 0.000 0.873 93 R HN 0.039 nan 8.270 nan 0.000 0.467 94 S N -0.209 115.439 115.700 -0.087 0.000 2.593 94 S HA 0.207 4.677 4.470 -0.000 0.000 0.217 94 S C 1.241 175.740 174.600 -0.169 0.000 0.966 94 S CA 0.292 58.367 58.200 -0.208 0.000 0.914 94 S CB 0.362 63.274 63.200 -0.480 0.000 0.776 94 S HN 0.457 nan 8.310 nan 0.000 0.523 95 A N -0.637 122.149 122.820 -0.055 0.000 2.324 95 A HA 0.673 4.993 4.320 -0.000 0.000 0.220 95 A C 1.379 178.969 177.584 0.009 0.000 1.209 95 A CA 0.647 52.683 52.037 -0.001 0.000 0.918 95 A CB 0.189 19.231 19.000 0.070 0.000 0.959 95 A HN 0.597 nan 8.150 nan 0.000 0.507 96 G N -1.465 107.338 108.800 0.004 0.000 3.847 96 G HA2 0.154 4.114 3.960 -0.000 0.000 0.189 96 G HA3 0.154 4.114 3.960 -0.000 0.000 0.189 96 G C 0.022 174.928 174.900 0.010 0.000 0.907 96 G CA -0.014 45.090 45.100 0.007 0.000 0.893 96 G HN 0.117 nan 8.290 nan 0.000 0.379 97 L N 0.659 121.894 121.223 0.020 0.000 2.491 97 L HA 0.725 5.065 4.340 -0.000 0.000 0.264 97 L C 1.806 178.692 176.870 0.027 0.000 1.053 97 L CA 0.474 55.329 54.840 0.026 0.000 0.858 97 L CB 0.723 42.803 42.059 0.035 0.000 1.519 97 L HN 0.239 nan 8.230 nan 0.000 0.508 98 G N -0.742 108.078 108.800 0.033 0.000 3.142 98 G HA2 0.390 4.350 3.960 -0.000 0.000 0.178 98 G HA3 0.390 4.350 3.960 -0.000 0.000 0.178 98 G C 0.512 175.443 174.900 0.052 0.000 1.941 98 G CA 0.898 46.022 45.100 0.040 0.000 0.902 98 G HN 0.733 nan 8.290 nan 0.000 0.517 99 A N -2.513 120.345 122.820 0.064 0.000 1.962 99 A HA 0.316 4.635 4.320 -0.000 0.000 0.202 99 A C 1.934 179.539 177.584 0.034 0.000 2.303 99 A CA 0.667 52.750 52.037 0.077 0.000 1.341 99 A CB -0.577 18.511 19.000 0.147 0.000 1.044 99 A HN 0.245 nan 8.150 nan 0.000 0.583 100 Q N 0.338 120.138 119.800 -0.001 0.000 2.376 100 Q HA -0.215 4.125 4.340 -0.000 0.000 0.211 100 Q C 1.620 177.591 176.000 -0.048 0.000 0.986 100 Q CA 1.758 57.505 55.803 -0.093 0.000 0.886 100 Q CB -0.214 28.421 28.738 -0.172 0.000 0.927 100 Q HN 0.711 nan 8.270 nan 0.000 0.457 101 E N 0.699 120.896 120.200 -0.005 0.000 2.007 101 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 101 E C 1.902 178.515 176.600 0.022 0.000 0.999 101 E CA 1.434 57.842 56.400 0.013 0.000 0.811 101 E CB -0.514 29.202 29.700 0.027 0.000 0.762 101 E HN 0.372 nan 8.360 nan 0.000 0.450 102 A N 1.144 123.986 122.820 0.036 0.000 2.054 102 A HA -0.266 4.054 4.320 -0.000 0.000 0.223 102 A C 2.246 179.859 177.584 0.048 0.000 1.169 102 A CA 2.166 54.236 52.037 0.055 0.000 0.655 102 A CB -1.067 17.973 19.000 0.067 0.000 0.812 102 A HN 0.298 nan 8.150 nan 0.000 0.462 103 A N 0.892 123.718 122.820 0.011 0.000 1.836 103 A HA -0.227 4.092 4.320 -0.000 0.000 0.215 103 A C 2.294 179.851 177.584 -0.045 0.000 1.214 103 A CA 2.317 54.343 52.037 -0.019 0.000 0.636 103 A CB -0.692 18.245 19.000 -0.104 0.000 0.847 103 A HN 0.679 nan 8.150 nan 0.000 0.451 104 R N 1.099 121.543 120.500 -0.094 0.000 2.096 104 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 104 R C 2.020 178.295 176.300 -0.043 0.000 1.127 104 R CA 2.155 58.133 56.100 -0.204 0.000 0.968 104 R CB -1.167 29.088 30.300 -0.075 0.000 0.861 104 R HN 0.741 nan 8.270 nan 0.000 0.440 105 I N -0.562 120.047 120.570 0.066 0.000 2.179 105 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 105 I C 2.270 178.486 176.117 0.164 0.000 1.088 105 I CA 1.387 62.769 61.300 0.137 0.000 1.357 105 I CB -0.860 37.208 38.000 0.113 0.000 1.051 105 I HN 0.038 nan 8.210 nan 0.000 0.409 106 C N 0.746 120.123 119.300 0.129 0.000 2.508 106 C HA -0.042 4.417 4.460 -0.000 0.000 0.280 106 C C 3.037 178.160 174.990 0.221 0.000 1.262 106 C CA 1.107 60.221 59.018 0.159 0.000 1.706 106 C CB -1.021 26.792 27.740 0.122 0.000 2.078 106 C HN 0.552 nan 8.230 nan 0.000 0.480 107 R N -0.315 120.283 120.500 0.164 0.000 2.136 107 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 107 R C 2.078 178.693 176.300 0.526 0.000 1.131 107 R CA 2.436 58.700 56.100 0.274 0.000 0.937 107 R CB -0.726 29.588 30.300 0.024 0.000 0.863 107 R HN 0.704 nan 8.270 nan 0.000 0.435 108 Y N -0.330 120.189 120.300 0.364 0.000 2.200 108 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 108 Y C 2.710 178.860 175.900 0.416 0.000 1.137 108 Y CA 1.178 59.491 58.100 0.355 0.000 1.163 108 Y CB -0.250 38.280 38.460 0.118 0.000 0.988 108 Y HN 0.209 nan 8.280 nan 0.000 0.518 109 R N 0.585 121.358 120.500 0.454 0.000 2.133 109 R HA -0.281 4.059 4.340 -0.000 0.000 0.247 109 R C 2.088 178.584 176.300 0.327 0.000 1.151 109 R CA 2.103 58.404 56.100 0.336 0.000 0.971 109 R CB -0.801 29.655 30.300 0.260 0.000 0.866 109 R HN 0.453 nan 8.270 nan 0.000 0.447 110 F N 0.393 120.492 119.950 0.249 0.000 2.098 110 F HA -0.100 4.427 4.527 -0.001 0.000 0.294 110 F C 1.615 177.485 175.800 0.116 0.000 1.107 110 F CA 1.312 59.393 58.000 0.135 0.000 1.234 110 F CB -0.384 38.657 39.000 0.069 0.000 1.002 110 F HN -0.080 nan 8.300 nan 0.000 0.472 111 F N 1.146 121.089 119.950 -0.011 0.000 2.192 111 F HA -0.231 4.296 4.527 -0.000 0.000 0.301 111 F C 2.578 178.201 175.800 -0.295 0.000 1.079 111 F CA 1.272 59.183 58.000 -0.149 0.000 1.303 111 F CB -1.450 37.700 39.000 0.250 0.000 1.024 111 F HN 0.127 nan 8.300 nan 0.000 0.494 112 A N -0.269 122.530 122.820 -0.034 0.000 1.877 112 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 112 A C 2.078 179.455 177.584 -0.346 0.000 1.186 112 A CA 1.805 53.582 52.037 -0.434 0.000 0.620 112 A CB -0.768 17.992 19.000 -0.400 0.000 0.822 112 A HN 0.305 nan 8.150 nan 0.000 0.443 113 E N 0.162 120.245 120.200 -0.195 0.000 2.049 113 E HA -0.186 4.163 4.350 -0.000 0.000 0.198 113 E C 1.971 178.449 176.600 -0.204 0.000 1.007 113 E CA 1.584 57.893 56.400 -0.151 0.000 0.809 113 E CB -0.384 29.253 29.700 -0.105 0.000 0.749 113 E HN 0.629 nan 8.360 nan 0.000 0.450 114 L N -0.231 120.780 121.223 -0.352 0.000 2.083 114 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 114 L C 2.611 179.393 176.870 -0.148 0.000 1.083 114 L CA 1.100 55.775 54.840 -0.274 0.000 0.752 114 L CB -0.480 41.295 42.059 -0.474 0.000 0.899 114 L HN 0.274 nan 8.230 nan 0.000 0.433 115 M N -0.083 119.385 119.600 -0.220 0.000 2.123 115 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 115 M C 2.338 178.578 176.300 -0.101 0.000 1.069 115 M CA 1.811 56.999 55.300 -0.187 0.000 1.133 115 M CB -0.068 32.324 32.600 -0.348 0.000 1.356 115 M HN 0.271 nan 8.290 nan 0.000 0.415 116 E N 0.307 120.448 120.200 -0.099 0.000 2.072 116 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 116 E C 1.125 177.715 176.600 -0.016 0.000 0.985 116 E CA 1.126 57.517 56.400 -0.014 0.000 0.801 116 E CB 0.052 29.781 29.700 0.049 0.000 0.750 116 E HN 0.421 nan 8.360 nan 0.000 0.452 117 K N -0.667 119.715 120.400 -0.030 0.000 2.476 117 K HA 0.013 4.333 4.320 -0.000 0.000 0.196 117 K C 0.664 177.232 176.600 -0.054 0.000 1.025 117 K CA 0.098 56.360 56.287 -0.041 0.000 1.138 117 K CB 0.304 32.774 32.500 -0.049 0.000 0.860 117 K HN 0.217 nan 8.250 nan 0.000 0.515 118 H N -0.025 118.996 119.070 -0.082 0.000 3.650 118 H HA 0.075 4.631 4.556 -0.000 0.000 0.260 118 H C -0.250 175.037 175.328 -0.069 0.000 1.194 118 H CA 0.246 56.249 56.048 -0.076 0.000 1.135 118 H CB 0.688 30.395 29.762 -0.093 0.000 1.612 118 H HN 0.165 nan 8.280 nan 0.000 0.703 119 Q N -0.823 119.001 119.800 0.039 0.000 2.406 119 Q HA -0.180 4.160 4.340 -0.000 0.000 0.236 119 Q C 0.502 176.492 176.000 -0.017 0.000 0.799 119 Q CA 0.691 56.494 55.803 -0.001 0.000 1.286 119 Q CB -1.439 27.293 28.738 -0.010 0.000 1.615 119 Q HN 0.445 nan 8.270 nan 0.000 0.621 120 A N -0.125 122.687 122.820 -0.013 0.000 2.448 120 A HA 0.475 4.795 4.320 -0.000 0.000 0.239 120 A C 1.350 178.884 177.584 -0.082 0.000 1.080 120 A CA 0.702 52.705 52.037 -0.058 0.000 0.779 120 A CB 0.310 19.270 19.000 -0.067 0.000 1.026 120 A HN 0.453 nan 8.150 nan 0.000 0.499 121 G N -0.908 107.817 108.800 -0.125 0.000 2.727 121 G HA2 0.324 4.284 3.960 -0.000 0.000 0.203 121 G HA3 0.324 4.284 3.960 -0.000 0.000 0.203 121 G C 0.254 175.240 174.900 0.143 0.000 1.117 121 G CA -0.057 44.975 45.100 -0.113 0.000 0.817 121 G HN 0.652 nan 8.290 nan 0.000 0.553 122 Y N -0.453 119.831 120.300 -0.027 0.000 2.487 122 Y HA 0.641 5.191 4.550 -0.000 0.000 0.337 122 Y C -0.661 175.277 175.900 0.063 0.000 1.076 122 Y CA -1.344 56.782 58.100 0.043 0.000 1.115 122 Y CB 2.775 41.293 38.460 0.096 0.000 1.235 122 Y HN -0.234 nan 8.280 nan 0.000 0.468 123 V N 2.167 122.250 119.914 0.281 0.000 2.482 123 V HA 0.585 4.705 4.120 -0.000 0.000 0.295 123 V C -0.573 175.660 176.094 0.231 0.000 1.026 123 V CA -0.668 61.774 62.300 0.238 0.000 0.856 123 V CB 1.333 33.294 31.823 0.231 0.000 1.001 123 V HN 0.848 nan 8.190 nan 0.000 0.424 124 A N 5.121 128.039 122.820 0.164 0.000 2.324 124 A HA 0.967 5.286 4.320 -0.000 0.000 0.330 124 A C -0.789 176.807 177.584 0.019 0.000 1.165 124 A CA -0.549 51.533 52.037 0.075 0.000 0.813 124 A CB 1.625 20.634 19.000 0.016 0.000 1.197 124 A HN 0.812 nan 8.150 nan 0.000 0.484 125 V N 0.668 120.606 119.914 0.041 0.000 2.789 125 V HA 0.719 4.839 4.120 -0.000 0.000 0.311 125 V C 0.677 176.777 176.094 0.009 0.000 1.073 125 V CA -0.474 61.835 62.300 0.015 0.000 0.921 125 V CB 1.765 33.597 31.823 0.015 0.000 1.009 125 V HN 1.210 nan 8.190 nan 0.000 0.426 126 G N 1.488 110.303 108.800 0.024 0.000 2.358 126 G HA2 0.491 4.451 3.960 -0.000 0.000 0.273 126 G HA3 0.491 4.451 3.960 -0.000 0.000 0.273 126 G C -0.456 174.473 174.900 0.048 0.000 1.215 126 G CA -0.064 45.187 45.100 0.251 0.000 0.910 126 G HN 0.694 nan 8.290 nan 0.000 0.467 127 H N 2.489 121.719 119.070 0.267 0.000 2.970 127 H HA 0.161 4.717 4.556 -0.000 0.000 0.315 127 H C -0.058 175.319 175.328 0.081 0.000 0.992 127 H CA -0.520 55.575 56.048 0.079 0.000 1.363 127 H CB 1.126 30.899 29.762 0.019 0.000 1.532 127 H HN 0.740 nan 8.280 nan 0.000 0.514 128 H N 0.450 119.618 119.070 0.163 0.000 2.547 128 H HA 0.119 4.674 4.556 -0.000 0.000 0.362 128 H C 1.289 176.656 175.328 0.066 0.000 1.181 128 H CA -0.071 56.014 56.048 0.060 0.000 1.376 128 H CB 0.729 30.451 29.762 -0.067 0.000 1.488 128 H HN 0.737 nan 8.280 nan 0.000 0.583 129 G N 1.304 110.191 108.800 0.144 0.000 2.517 129 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.222 129 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.222 129 G C 0.863 175.824 174.900 0.103 0.000 1.109 129 G CA 1.145 46.335 45.100 0.151 0.000 0.746 129 G HN 0.600 nan 8.290 nan 0.000 0.576 130 D N 0.391 120.857 120.400 0.110 0.000 2.123 130 D HA -0.011 4.629 4.640 -0.000 0.000 0.200 130 D C 2.116 178.372 176.300 -0.073 0.000 0.976 130 D CA 0.743 54.788 54.000 0.074 0.000 0.831 130 D CB -0.136 40.798 40.800 0.224 0.000 0.974 130 D HN 0.079 nan 8.370 nan 0.000 0.469 131 D N 0.110 120.306 120.400 -0.339 0.000 2.149 131 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 131 D C 1.951 178.148 176.300 -0.171 0.000 1.001 131 D CA 1.046 54.831 54.000 -0.358 0.000 0.849 131 D CB -0.196 40.340 40.800 -0.440 0.000 0.939 131 D HN 0.151 nan 8.370 nan 0.000 0.449 132 Q N 0.822 120.560 119.800 -0.103 0.000 1.967 132 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 132 Q C 2.176 178.180 176.000 0.007 0.000 0.985 132 Q CA 1.537 57.323 55.803 -0.028 0.000 0.839 132 Q CB -0.616 28.157 28.738 0.058 0.000 0.906 132 Q HN 0.119 nan 8.270 nan 0.000 0.423 133 V N 1.340 121.231 119.914 -0.039 0.000 2.225 133 V HA -0.428 3.692 4.120 -0.000 0.000 0.252 133 V C 2.135 178.128 176.094 -0.167 0.000 1.055 133 V CA 2.596 64.727 62.300 -0.282 0.000 1.032 133 V CB -1.174 30.322 31.823 -0.546 0.000 0.655 133 V HN 0.567 nan 8.190 nan 0.000 0.458 134 E N 0.151 120.246 120.200 -0.174 0.000 2.240 134 E HA -0.365 3.985 4.350 -0.000 0.000 0.236 134 E C 2.086 178.546 176.600 -0.233 0.000 1.085 134 E CA 2.604 58.891 56.400 -0.187 0.000 0.979 134 E CB -0.716 28.903 29.700 -0.136 0.000 0.845 134 E HN 0.804 nan 8.360 nan 0.000 0.483 135 T N 0.907 115.369 114.554 -0.153 0.000 2.867 135 T HA -0.106 4.243 4.350 -0.000 0.000 0.268 135 T C 1.905 176.562 174.700 -0.071 0.000 1.057 135 T CA 0.845 62.860 62.100 -0.142 0.000 1.136 135 T CB -0.082 68.709 68.868 -0.130 0.000 0.874 135 T HN 0.035 nan 8.240 nan 0.000 0.466 136 I N 1.388 121.990 120.570 0.053 0.000 2.099 136 I HA -0.085 4.085 4.170 -0.000 0.000 0.239 136 I C 2.323 178.521 176.117 0.134 0.000 1.066 136 I CA 1.230 62.660 61.300 0.217 0.000 1.324 136 I CB -1.421 36.884 38.000 0.508 0.000 1.037 136 I HN 0.216 nan 8.210 nan 0.000 0.401 137 L N -0.465 120.807 121.223 0.082 0.000 1.976 137 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 137 L C 2.672 179.403 176.870 -0.231 0.000 1.071 137 L CA 1.564 56.404 54.840 -0.000 0.000 0.746 137 L CB -0.931 41.138 42.059 0.015 0.000 0.890 137 L HN 0.166 nan 8.230 nan 0.000 0.432 138 M N -0.722 118.465 119.600 -0.688 0.000 2.152 138 M HA -0.328 4.152 4.480 -0.000 0.000 0.251 138 M C 2.218 178.393 176.300 -0.208 0.000 1.080 138 M CA 1.955 56.791 55.300 -0.773 0.000 1.079 138 M CB -0.185 32.041 32.600 -0.625 0.000 1.317 138 M HN 0.230 nan 8.290 nan 0.000 0.404 139 R N -0.747 119.692 120.500 -0.102 0.000 2.290 139 R HA 0.057 4.397 4.340 -0.000 0.000 0.197 139 R C 1.854 178.179 176.300 0.043 0.000 0.913 139 R CA 0.115 56.214 56.100 -0.002 0.000 1.040 139 R CB -0.104 30.210 30.300 0.023 0.000 0.992 139 R HN 0.366 nan 8.270 nan 0.000 0.500 140 L N 1.297 122.542 121.223 0.037 0.000 2.005 140 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 140 L C 2.219 179.118 176.870 0.048 0.000 1.072 140 L CA 1.834 56.694 54.840 0.032 0.000 0.744 140 L CB -0.890 41.196 42.059 0.045 0.000 0.895 140 L HN 0.018 nan 8.230 nan 0.000 0.433 141 V N -2.415 117.549 119.914 0.083 0.000 2.951 141 V HA -0.031 4.089 4.120 -0.000 0.000 0.255 141 V C 2.578 178.728 176.094 0.094 0.000 1.088 141 V CA 0.856 63.221 62.300 0.108 0.000 1.109 141 V CB -0.591 31.343 31.823 0.186 0.000 0.724 141 V HN 0.382 nan 8.190 nan 0.000 0.471 142 R N 1.220 121.770 120.500 0.083 0.000 2.093 142 R HA 0.126 4.466 4.340 -0.000 0.000 0.224 142 R C 1.862 178.194 176.300 0.053 0.000 1.101 142 R CA 1.461 57.603 56.100 0.070 0.000 0.979 142 R CB -0.159 30.175 30.300 0.058 0.000 0.877 142 R HN 0.829 nan 8.270 nan 0.000 0.441 143 G N -1.171 107.657 108.800 0.048 0.000 2.211 143 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 143 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 143 G C 0.861 175.788 174.900 0.046 0.000 0.997 143 G CA 0.486 45.612 45.100 0.042 0.000 0.652 143 G HN 0.304 nan 8.290 nan 0.000 0.500 144 S N 1.187 116.917 115.700 0.050 0.000 2.441 144 S HA -0.065 4.404 4.470 -0.000 0.000 0.242 144 S C 1.626 176.271 174.600 0.074 0.000 1.018 144 S CA 1.555 59.787 58.200 0.053 0.000 0.988 144 S CB -0.715 62.511 63.200 0.043 0.000 0.778 144 S HN 1.617 nan 8.310 nan 0.000 0.498 145 T N 1.589 116.199 114.554 0.093 0.000 2.830 145 T HA 0.207 4.557 4.350 -0.000 0.000 0.282 145 T C 0.669 175.431 174.700 0.105 0.000 1.024 145 T CA 0.333 62.513 62.100 0.134 0.000 1.144 145 T CB 0.170 69.063 68.868 0.042 0.000 1.035 145 T HN 0.497 nan 8.240 nan 0.000 0.507 146 S N 2.260 118.040 115.700 0.132 0.000 6.692 146 S HA 0.123 4.592 4.470 -0.000 0.000 0.114 146 S C 0.941 175.584 174.600 0.072 0.000 1.488 146 S CA -0.440 57.808 58.200 0.080 0.000 0.918 146 S CB 0.282 63.512 63.200 0.050 0.000 1.432 146 S HN 0.713 nan 8.310 nan 0.000 0.548 147 K N 1.449 121.860 120.400 0.019 0.000 2.335 147 K HA 0.405 4.725 4.320 -0.000 0.000 0.195 147 K C 1.932 178.481 176.600 -0.086 0.000 1.058 147 K CA 0.735 57.003 56.287 -0.032 0.000 0.988 147 K CB -0.339 32.134 32.500 -0.045 0.000 0.880 147 K HN 0.481 nan 8.250 nan 0.000 0.513 148 G N 1.354 110.128 108.800 -0.044 0.000 2.511 148 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.217 148 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.217 148 G C 1.354 176.205 174.900 -0.082 0.000 1.133 148 G CA 0.484 45.541 45.100 -0.072 0.000 0.792 148 G HN 0.372 nan 8.290 nan 0.000 0.539 149 Y N 2.096 122.355 120.300 -0.070 0.000 2.014 149 Y HA -0.126 4.423 4.550 -0.000 0.000 0.272 149 Y C 2.623 178.443 175.900 -0.134 0.000 1.164 149 Y CA 1.575 59.624 58.100 -0.085 0.000 1.114 149 Y CB -1.020 37.395 38.460 -0.075 0.000 0.961 149 Y HN 0.426 nan 8.280 nan 0.000 0.489 150 A N 0.435 122.400 122.820 -1.424 0.000 1.386 150 A HA -0.221 4.098 4.320 -0.000 0.000 0.382 150 A C 2.058 179.029 177.584 -1.022 0.000 5.504 150 A CA 3.806 55.115 52.037 -1.214 0.000 1.054 150 A CB -1.992 16.682 19.000 -0.543 0.000 1.038 150 A HN 2.044 nan 8.150 nan 0.000 0.602 151 G N -3.835 104.638 108.800 -0.544 0.000 2.278 151 G HA2 0.411 4.371 3.960 -0.000 0.000 0.265 151 G HA3 0.411 4.371 3.960 -0.000 0.000 0.265 151 G C -0.649 174.114 174.900 -0.229 0.000 1.329 151 G CA -0.356 44.565 45.100 -0.298 0.000 1.017 151 G HN 1.121 nan 8.290 nan 0.000 0.472 152 I N 1.906 122.367 120.570 -0.182 0.000 2.396 152 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 152 I C -2.139 173.878 176.117 -0.167 0.000 1.056 152 I CA -2.289 58.892 61.300 -0.199 0.000 1.365 152 I CB 0.461 38.323 38.000 -0.230 0.000 1.407 152 I HN 0.095 nan 8.210 nan 0.000 0.509 153 P HA 0.203 nan 4.420 nan 0.000 0.281 153 P C 1.247 178.456 177.300 -0.151 0.000 1.286 153 P CA -0.280 62.710 63.100 -0.183 0.000 0.772 153 P CB 1.097 32.679 31.700 -0.197 0.000 0.862 154 V N 3.355 123.171 119.914 -0.164 0.000 2.241 154 V HA -0.273 3.846 4.120 -0.000 0.000 0.256 154 V C 1.202 177.211 176.094 -0.141 0.000 1.060 154 V CA 2.117 64.320 62.300 -0.162 0.000 1.065 154 V CB -0.878 30.703 31.823 -0.402 0.000 0.685 154 V HN 0.675 nan 8.190 nan 0.000 0.467 155 K N 0.624 120.902 120.400 -0.203 0.000 2.427 155 K HA 0.663 4.983 4.320 -0.000 0.000 0.252 155 K C -0.684 175.773 176.600 -0.237 0.000 0.931 155 K CA -0.947 55.225 56.287 -0.191 0.000 0.793 155 K CB 2.471 34.838 32.500 -0.223 0.000 1.211 155 K HN 0.481 nan 8.250 nan 0.000 0.426 156 R N 1.321 121.707 120.500 -0.190 0.000 2.740 156 R HA 0.457 4.797 4.340 -0.000 0.000 0.273 156 R C -2.766 173.479 176.300 -0.092 0.000 0.998 156 R CA -1.739 54.237 56.100 -0.208 0.000 0.900 156 R CB 1.778 31.961 30.300 -0.194 0.000 1.223 156 R HN 0.396 nan 8.270 nan 0.000 0.466 157 P HA -0.061 nan 4.420 nan 0.000 0.257 157 P C -1.158 176.286 177.300 0.240 0.000 1.269 157 P CA 0.666 63.858 63.100 0.153 0.000 1.122 157 P CB -0.310 31.419 31.700 0.049 0.000 1.285 158 F N 4.408 124.463 119.950 0.176 0.000 2.350 158 F HA 0.152 4.679 4.527 -0.000 0.000 0.365 158 F C 1.582 177.504 175.800 0.203 0.000 1.122 158 F CA -0.417 57.657 58.000 0.124 0.000 1.139 158 F CB 0.344 39.386 39.000 0.069 0.000 1.220 158 F HN 0.412 nan 8.300 nan 0.000 0.499 159 H N 2.771 122.159 119.070 0.530 0.000 1.453 159 H HA -0.318 4.237 4.556 -0.000 0.000 0.090 159 H C 1.618 177.011 175.328 0.109 0.000 0.605 159 H CA 2.038 58.230 56.048 0.240 0.000 1.901 159 H CB -1.226 28.561 29.762 0.042 0.000 2.257 159 H HN 0.703 nan 8.280 nan 0.000 0.961 160 G N -0.916 107.995 108.800 0.185 0.000 2.572 160 G HA2 0.307 4.267 3.960 -0.000 0.000 0.214 160 G HA3 0.307 4.267 3.960 -0.000 0.000 0.214 160 G C 1.263 176.175 174.900 0.019 0.000 1.246 160 G CA 0.852 45.990 45.100 0.062 0.000 0.835 160 G HN 0.822 nan 8.290 nan 0.000 0.551 161 G N -1.119 107.668 108.800 -0.022 0.000 3.229 161 G HA2 0.506 4.466 3.960 -0.000 0.000 0.165 161 G HA3 0.506 4.466 3.960 -0.000 0.000 0.165 161 G C -0.445 174.450 174.900 -0.009 0.000 1.753 161 G CA -0.569 44.417 45.100 -0.189 0.000 1.054 161 G HN 0.347 nan 8.290 nan 0.000 0.544 162 Y N -1.907 118.494 120.300 0.169 0.000 2.665 162 Y HA 0.627 5.177 4.550 -0.000 0.000 0.336 162 Y C -0.566 175.412 175.900 0.130 0.000 1.085 162 Y CA -1.171 56.979 58.100 0.082 0.000 1.096 162 Y CB 2.375 40.768 38.460 -0.111 0.000 1.301 162 Y HN 0.408 nan 8.280 nan 0.000 0.493 163 L N 3.102 124.483 121.223 0.263 0.000 2.376 163 L HA 0.633 4.972 4.340 -0.000 0.000 0.275 163 L C -1.733 175.170 176.870 0.055 0.000 0.987 163 L CA -0.537 54.419 54.840 0.193 0.000 0.828 163 L CB 1.050 43.203 42.059 0.156 0.000 1.249 163 L HN 0.437 nan 8.230 nan 0.000 0.409 164 I N 4.323 124.939 120.570 0.076 0.000 2.433 164 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 164 I C -0.305 175.872 176.117 0.099 0.000 1.001 164 I CA -0.650 60.679 61.300 0.048 0.000 1.119 164 I CB 1.769 39.803 38.000 0.057 0.000 1.289 164 I HN 0.744 nan 8.210 nan 0.000 0.438 165 R N 5.041 125.613 120.500 0.119 0.000 3.026 165 R HA 0.288 4.628 4.340 -0.000 0.000 0.317 165 R C -2.140 174.327 176.300 0.277 0.000 1.278 165 R CA -1.318 54.899 56.100 0.195 0.000 1.407 165 R CB 0.308 30.749 30.300 0.236 0.000 1.368 165 R HN 0.380 nan 8.270 nan 0.000 0.612 166 P HA -0.101 nan 4.420 nan 0.000 0.236 166 P C 0.350 177.866 177.300 0.359 0.000 1.172 166 P CA 0.886 64.223 63.100 0.394 0.000 0.759 166 P CB -0.082 31.753 31.700 0.226 0.000 0.843 167 F N -1.595 118.496 119.950 0.236 0.000 2.797 167 F HA 0.015 4.542 4.527 -0.001 0.000 0.302 167 F C 1.762 177.598 175.800 0.060 0.000 1.130 167 F CA -0.508 57.562 58.000 0.116 0.000 1.387 167 F CB -0.127 38.941 39.000 0.113 0.000 1.107 167 F HN -0.165 nan 8.300 nan 0.000 0.577 168 L N 0.407 121.799 121.223 0.283 0.000 2.187 168 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 168 L C 2.500 179.289 176.870 -0.136 0.000 1.100 168 L CA 1.398 56.334 54.840 0.159 0.000 0.765 168 L CB -0.976 41.289 42.059 0.343 0.000 0.904 168 L HN 0.092 nan 8.230 nan 0.000 0.437 169 A N -1.307 121.133 122.820 -0.633 0.000 2.121 169 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 169 A C 0.752 178.214 177.584 -0.203 0.000 1.154 169 A CA 1.166 52.652 52.037 -0.918 0.000 0.679 169 A CB -0.599 17.637 19.000 -1.272 0.000 0.795 169 A HN 0.251 nan 8.150 nan 0.000 0.458 170 V N -3.882 116.004 119.914 -0.046 0.000 2.932 170 V HA 0.663 4.783 4.120 -0.000 0.000 0.307 170 V C -0.029 175.971 176.094 -0.156 0.000 1.147 170 V CA -0.454 61.826 62.300 -0.034 0.000 0.951 170 V CB 0.979 32.773 31.823 -0.049 0.000 1.031 170 V HN 0.251 nan 8.190 nan 0.000 0.426 171 S N 2.192 117.601 115.700 -0.485 0.000 2.569 171 S HA 0.141 4.611 4.470 -0.000 0.000 0.274 171 S C 1.354 175.769 174.600 -0.309 0.000 1.353 171 S CA 0.648 58.508 58.200 -0.567 0.000 1.023 171 S CB 0.618 63.392 63.200 -0.709 0.000 0.876 171 S HN 1.204 nan 8.310 nan 0.000 0.540 172 R N 2.753 123.090 120.500 -0.271 0.000 2.189 172 R HA 0.117 4.456 4.340 -0.000 0.000 0.218 172 R C 2.051 178.178 176.300 -0.289 0.000 1.074 172 R CA 1.274 57.126 56.100 -0.415 0.000 0.991 172 R CB -0.802 29.180 30.300 -0.531 0.000 0.883 172 R HN 0.561 nan 8.270 nan 0.000 0.457 173 A N 2.275 124.960 122.820 -0.224 0.000 1.859 173 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 173 A C 1.853 179.344 177.584 -0.155 0.000 1.198 173 A CA 1.829 53.767 52.037 -0.164 0.000 0.629 173 A CB -0.543 18.375 19.000 -0.136 0.000 0.830 173 A HN 0.614 nan 8.150 nan 0.000 0.446 174 E N -0.502 119.593 120.200 -0.175 0.000 2.418 174 E HA -0.017 4.332 4.350 -0.000 0.000 0.197 174 E C 1.516 178.031 176.600 -0.142 0.000 1.026 174 E CA 0.307 56.631 56.400 -0.126 0.000 0.862 174 E CB -0.089 29.542 29.700 -0.114 0.000 0.799 174 E HN 0.543 nan 8.360 nan 0.000 0.518 175 I N 0.858 121.286 120.570 -0.236 0.000 2.716 175 I HA -0.113 4.057 4.170 -0.000 0.000 0.259 175 I C 1.790 177.804 176.117 -0.172 0.000 1.172 175 I CA 1.035 62.163 61.300 -0.287 0.000 1.478 175 I CB -0.178 37.553 38.000 -0.449 0.000 1.104 175 I HN 0.048 nan 8.210 nan 0.000 0.439 176 E N 1.048 121.153 120.200 -0.158 0.000 2.112 176 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 176 E C 2.315 178.869 176.600 -0.077 0.000 0.979 176 E CA 1.155 57.485 56.400 -0.117 0.000 0.814 176 E CB -0.130 29.499 29.700 -0.117 0.000 0.762 176 E HN 0.373 nan 8.360 nan 0.000 0.460 177 A N 0.135 122.919 122.820 -0.060 0.000 1.873 177 A HA -0.262 4.057 4.320 -0.000 0.000 0.218 177 A C 2.158 179.733 177.584 -0.014 0.000 1.193 177 A CA 1.824 53.841 52.037 -0.032 0.000 0.629 177 A CB -1.049 17.943 19.000 -0.014 0.000 0.826 177 A HN 0.464 nan 8.150 nan 0.000 0.447 178 Y N -0.369 119.860 120.300 -0.119 0.000 2.242 178 Y HA -0.220 4.329 4.550 -0.000 0.000 0.291 178 Y C 2.766 178.570 175.900 -0.160 0.000 1.137 178 Y CA 1.384 59.411 58.100 -0.122 0.000 1.181 178 Y CB -0.510 37.881 38.460 -0.115 0.000 0.989 178 Y HN 0.528 nan 8.280 nan 0.000 0.527 179 C N 0.950 120.227 119.300 -0.039 0.000 2.442 179 C HA -0.154 4.305 4.460 -0.000 0.000 0.279 179 C C 2.844 177.734 174.990 -0.168 0.000 1.237 179 C CA 1.782 60.730 59.018 -0.117 0.000 1.722 179 C CB -1.277 26.406 27.740 -0.095 0.000 2.056 179 C HN 0.633 nan 8.230 nan 0.000 0.469 180 R N 0.018 120.439 120.500 -0.131 0.000 2.062 180 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 180 R C 2.572 178.789 176.300 -0.138 0.000 1.136 180 R CA 2.015 58.044 56.100 -0.118 0.000 0.948 180 R CB -0.697 29.550 30.300 -0.088 0.000 0.845 180 R HN 0.702 nan 8.270 nan 0.000 0.430 181 Q N -0.567 119.143 119.800 -0.150 0.000 2.156 181 Q HA -0.166 4.174 4.340 -0.000 0.000 0.211 181 Q C 1.055 176.928 176.000 -0.211 0.000 0.995 181 Q CA 1.728 57.436 55.803 -0.159 0.000 0.877 181 Q CB 0.011 28.655 28.738 -0.156 0.000 0.920 181 Q HN 0.326 nan 8.270 nan 0.000 0.416 182 M N 0.078 119.469 119.600 -0.348 0.000 2.989 182 M HA 0.231 4.711 4.480 -0.000 0.000 0.307 182 M C -0.240 175.916 176.300 -0.240 0.000 1.224 182 M CA -0.000 55.082 55.300 -0.364 0.000 0.984 182 M CB 0.623 32.767 32.600 -0.760 0.000 1.264 182 M HN 0.283 nan 8.290 nan 0.000 0.525 183 G N 1.934 110.644 108.800 -0.150 0.000 3.277 183 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.684 183 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.684 183 G C -1.404 173.438 174.900 -0.097 0.000 0.923 183 G CA -0.890 44.160 45.100 -0.082 0.000 0.779 183 G HN 0.438 nan 8.290 nan 0.000 0.508 184 L N 1.061 122.232 121.223 -0.088 0.000 3.285 184 L HA 0.503 4.843 4.340 -0.000 0.000 0.232 184 L C 1.013 177.826 176.870 -0.095 0.000 0.996 184 L CA -0.208 54.572 54.840 -0.101 0.000 1.046 184 L CB 0.735 42.712 42.059 -0.135 0.000 1.549 184 L HN 1.809 nan 8.230 nan 0.000 0.427 185 S N 2.105 117.742 115.700 -0.106 0.000 2.775 185 S HA 0.352 4.822 4.470 -0.000 0.000 0.250 185 S C -2.177 172.359 174.600 -0.107 0.000 1.391 185 S CA -0.421 57.712 58.200 -0.113 0.000 0.972 185 S CB -0.829 62.268 63.200 -0.172 0.000 0.963 185 S HN 0.564 nan 8.310 nan 0.000 0.570 186 P HA -0.014 nan 4.420 nan 0.000 0.252 186 P C 0.775 178.022 177.300 -0.089 0.000 1.136 186 P CA 0.480 63.527 63.100 -0.087 0.000 0.778 186 P CB 0.072 31.720 31.700 -0.086 0.000 0.722 187 R N 2.000 122.451 120.500 -0.081 0.000 2.507 187 R HA -0.201 4.139 4.340 -0.000 0.000 0.197 187 R C 1.282 177.532 176.300 -0.084 0.000 0.952 187 R CA 2.008 58.057 56.100 -0.085 0.000 0.778 187 R CB -1.074 29.179 30.300 -0.078 0.000 0.719 187 R HN 0.671 nan 8.270 nan 0.000 0.447 188 C N -0.316 118.939 119.300 -0.076 0.000 2.478 188 C HA 0.348 4.808 4.460 -0.000 0.000 0.379 188 C C -0.197 174.762 174.990 -0.052 0.000 1.470 188 C CA -1.163 57.812 59.018 -0.070 0.000 2.066 188 C CB 0.618 28.315 27.740 -0.071 0.000 2.001 188 C HN 0.440 nan 8.230 nan 0.000 0.550 189 D N 1.644 122.023 120.400 -0.035 0.000 2.295 189 D HA 0.393 5.033 4.640 -0.000 0.000 0.248 189 D C -1.723 174.565 176.300 -0.019 0.000 1.154 189 D CA -0.700 53.289 54.000 -0.017 0.000 0.857 189 D CB 1.216 42.022 40.800 0.009 0.000 1.117 189 D HN 0.496 nan 8.370 nan 0.000 0.468 190 P HA 0.067 nan 4.420 nan 0.000 0.249 190 P C -0.173 177.117 177.300 -0.016 0.000 1.229 190 P CA 0.219 63.303 63.100 -0.025 0.000 0.788 190 P CB 0.539 32.224 31.700 -0.026 0.000 1.072 191 S N 0.218 115.919 115.700 0.002 0.000 2.588 191 S HA 0.027 4.496 4.470 -0.000 0.000 0.245 191 S C 1.299 175.919 174.600 0.033 0.000 1.021 191 S CA -0.510 57.703 58.200 0.022 0.000 1.006 191 S CB -0.718 62.511 63.200 0.049 0.000 0.830 191 S HN 0.275 nan 8.310 nan 0.000 0.468 192 N N 2.017 120.729 118.700 0.019 0.000 2.585 192 N HA -0.162 4.577 4.740 -0.000 0.000 0.188 192 N C -0.171 175.373 175.510 0.056 0.000 1.102 192 N CA 0.402 53.489 53.050 0.062 0.000 0.920 192 N CB -0.476 38.054 38.487 0.071 0.000 0.963 192 N HN 0.389 nan 8.380 nan 0.000 0.447 193 E N 1.238 121.435 120.200 -0.005 0.000 2.918 193 E HA -0.086 4.264 4.350 -0.000 0.000 0.232 193 E C -0.259 176.353 176.600 0.020 0.000 1.073 193 E CA 0.615 57.007 56.400 -0.013 0.000 0.949 193 E CB -0.119 29.574 29.700 -0.012 0.000 0.937 193 E HN 0.444 nan 8.360 nan 0.000 0.536 194 K N 3.054 123.484 120.400 0.050 0.000 2.659 194 K HA -0.013 4.307 4.320 -0.000 0.000 0.179 194 K C -1.075 175.554 176.600 0.048 0.000 1.661 194 K CA -0.148 56.148 56.287 0.016 0.000 0.651 194 K CB -0.117 32.389 32.500 0.009 0.000 1.319 194 K HN 0.096 nan 8.250 nan 0.000 0.380 195 D N 1.481 121.925 120.400 0.073 0.000 2.636 195 D HA -0.065 4.575 4.640 -0.000 0.000 0.256 195 D C 0.906 177.175 176.300 -0.051 0.000 1.280 195 D CA 0.542 54.593 54.000 0.085 0.000 0.910 195 D CB 0.281 41.164 40.800 0.137 0.000 1.045 195 D HN 0.336 nan 8.370 nan 0.000 0.472 196 D N -0.769 119.510 120.400 -0.201 0.000 2.194 196 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 196 D C -0.260 175.737 176.300 -0.506 0.000 0.964 196 D CA 0.572 54.309 54.000 -0.438 0.000 0.846 196 D CB 0.249 40.607 40.800 -0.737 0.000 0.962 196 D HN 0.292 nan 8.370 nan 0.000 0.490 197 Y N 0.366 120.659 120.300 -0.011 0.000 2.342 197 Y HA 0.170 4.720 4.550 -0.001 0.000 0.338 197 Y C 1.993 177.909 175.900 0.028 0.000 0.965 197 Y CA -0.552 57.546 58.100 -0.002 0.000 1.159 197 Y CB 1.367 39.812 38.460 -0.024 0.000 1.157 197 Y HN -0.184 nan 8.280 nan 0.000 0.486 198 T N -0.276 114.394 114.554 0.193 0.000 2.616 198 T HA -0.440 3.909 4.350 -0.000 0.000 0.261 198 T C 1.944 176.855 174.700 0.350 0.000 1.105 198 T CA 2.216 64.443 62.100 0.211 0.000 1.159 198 T CB -0.336 68.688 68.868 0.261 0.000 0.856 198 T HN 0.659 nan 8.240 nan 0.000 0.449 199 R N 2.385 123.072 120.500 0.313 0.000 2.159 199 R HA -0.225 4.115 4.340 -0.000 0.000 0.249 199 R C 2.186 178.592 176.300 0.177 0.000 1.136 199 R CA 2.526 58.761 56.100 0.226 0.000 0.951 199 R CB -0.881 29.456 30.300 0.063 0.000 0.876 199 R HN 0.615 nan 8.270 nan 0.000 0.440 200 N N -0.162 118.584 118.700 0.077 0.000 2.058 200 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 200 N C 1.661 177.008 175.510 -0.272 0.000 1.037 200 N CA 2.051 54.976 53.050 -0.208 0.000 0.848 200 N CB -0.290 38.083 38.487 -0.190 0.000 1.021 200 N HN 0.320 nan 8.380 nan 0.000 0.422 201 R N -0.212 120.253 120.500 -0.059 0.000 2.117 201 R HA -0.107 4.233 4.340 -0.000 0.000 0.243 201 R C 1.900 178.198 176.300 -0.002 0.000 1.143 201 R CA 1.170 57.273 56.100 0.005 0.000 0.968 201 R CB -0.667 29.647 30.300 0.023 0.000 0.863 201 R HN 0.230 nan 8.270 nan 0.000 0.444 202 F N 0.827 120.774 119.950 -0.006 0.000 2.046 202 F HA -0.199 4.327 4.527 -0.001 0.000 0.297 202 F C 2.877 178.648 175.800 -0.049 0.000 1.123 202 F CA 1.530 59.529 58.000 -0.001 0.000 1.199 202 F CB -0.290 38.701 39.000 -0.015 0.000 0.972 202 F HN -0.058 nan 8.300 nan 0.000 0.474 203 R N -0.526 120.022 120.500 0.079 0.000 2.096 203 R HA -0.180 4.159 4.340 -0.000 0.000 0.235 203 R C 2.090 178.366 176.300 -0.039 0.000 1.127 203 R CA 1.679 57.757 56.100 -0.037 0.000 0.968 203 R CB -0.383 29.838 30.300 -0.133 0.000 0.861 203 R HN 0.320 nan 8.270 nan 0.000 0.440 204 H N -1.022 117.951 119.070 -0.161 0.000 2.372 204 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 204 H C 1.301 176.343 175.328 -0.476 0.000 1.065 204 H CA 1.768 57.580 56.048 -0.395 0.000 1.364 204 H CB -0.030 29.352 29.762 -0.632 0.000 1.406 204 H HN 0.531 nan 8.280 nan 0.000 0.521 205 H N -1.348 117.797 119.070 0.125 0.000 2.408 205 H HA 0.224 4.780 4.556 -0.001 0.000 0.271 205 H C 2.276 177.630 175.328 0.043 0.000 0.957 205 H CA 0.252 56.335 56.048 0.059 0.000 1.170 205 H CB 0.426 30.202 29.762 0.024 0.000 1.458 205 H HN 0.022 nan 8.280 nan 0.000 0.491 206 I N 0.651 121.322 120.570 0.168 0.000 2.113 206 I HA -0.228 3.941 4.170 -0.000 0.000 0.238 206 I C 2.017 178.198 176.117 0.107 0.000 1.070 206 I CA 1.051 62.429 61.300 0.131 0.000 1.332 206 I CB -0.436 37.656 38.000 0.154 0.000 1.044 206 I HN 0.073 nan 8.210 nan 0.000 0.402 207 V N 1.839 121.811 119.914 0.096 0.000 2.231 207 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 207 V C -0.173 175.941 176.094 0.033 0.000 1.058 207 V CA 2.609 64.932 62.300 0.039 0.000 1.022 207 V CB -1.889 29.942 31.823 0.012 0.000 0.640 207 V HN 0.285 nan 8.190 nan 0.000 0.445 208 P HA -0.168 nan 4.420 nan 0.000 0.216 208 P C 1.794 179.118 177.300 0.040 0.000 1.150 208 P CA 1.546 64.668 63.100 0.036 0.000 0.843 208 P CB -0.138 31.586 31.700 0.040 0.000 0.787 209 L N -2.150 119.105 121.223 0.052 0.000 2.141 209 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 209 L C 2.290 179.187 176.870 0.045 0.000 1.094 209 L CA 0.986 55.855 54.840 0.049 0.000 0.763 209 L CB -1.010 41.083 42.059 0.056 0.000 0.908 209 L HN -0.002 nan 8.230 nan 0.000 0.437 210 L N -0.130 121.121 121.223 0.046 0.000 1.993 210 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 210 L C 2.685 179.577 176.870 0.038 0.000 1.074 210 L CA 1.459 56.327 54.840 0.046 0.000 0.746 210 L CB -1.270 40.809 42.059 0.033 0.000 0.896 210 L HN 0.204 nan 8.230 nan 0.000 0.435 211 R N 0.321 120.836 120.500 0.025 0.000 2.224 211 R HA -0.282 4.058 4.340 -0.000 0.000 0.255 211 R C 2.348 178.668 176.300 0.033 0.000 1.130 211 R CA 2.272 58.389 56.100 0.027 0.000 0.957 211 R CB -0.360 29.952 30.300 0.020 0.000 0.907 211 R HN 0.508 nan 8.270 nan 0.000 0.446 212 Q N -1.004 118.815 119.800 0.031 0.000 2.079 212 Q HA -0.106 4.233 4.340 -0.000 0.000 0.200 212 Q C 1.911 177.930 176.000 0.031 0.000 0.974 212 Q CA 1.149 56.969 55.803 0.029 0.000 0.840 212 Q CB -0.049 28.705 28.738 0.027 0.000 0.898 212 Q HN 0.285 nan 8.270 nan 0.000 0.430 213 E N 0.686 120.908 120.200 0.036 0.000 2.265 213 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 213 E C -0.064 176.560 176.600 0.039 0.000 0.996 213 E CA 0.689 57.111 56.400 0.037 0.000 0.832 213 E CB -0.011 29.715 29.700 0.043 0.000 0.756 213 E HN 0.145 nan 8.360 nan 0.000 0.491 214 N N -1.359 117.368 118.700 0.045 0.000 2.600 214 N HA 0.066 4.806 4.740 -0.000 0.000 0.272 214 N C -2.395 173.146 175.510 0.053 0.000 1.095 214 N CA -0.971 52.108 53.050 0.047 0.000 0.993 214 N CB 1.745 40.266 38.487 0.057 0.000 1.603 214 N HN -0.331 nan 8.380 nan 0.000 0.526 215 P HA -0.097 nan 4.420 nan 0.000 0.217 215 P C -0.338 177.014 177.300 0.087 0.000 1.150 215 P CA 1.090 64.225 63.100 0.058 0.000 0.832 215 P CB 0.281 32.009 31.700 0.048 0.000 0.787 216 R N -0.164 120.377 120.500 0.068 0.000 4.017 216 R HA 0.261 4.600 4.340 -0.000 0.000 0.272 216 R C 1.228 177.546 176.300 0.029 0.000 1.516 216 R CA -0.342 55.785 56.100 0.046 0.000 1.519 216 R CB -0.157 30.147 30.300 0.006 0.000 1.422 216 R HN 0.166 nan 8.270 nan 0.000 0.719 217 L N 1.244 122.524 121.223 0.094 0.000 2.071 217 L HA -0.121 4.218 4.340 -0.000 0.000 0.201 217 L C 2.528 179.464 176.870 0.111 0.000 1.076 217 L CA 1.405 56.310 54.840 0.109 0.000 0.755 217 L CB -0.269 41.823 42.059 0.054 0.000 0.915 217 L HN 0.516 nan 8.230 nan 0.000 0.445 218 H N -0.688 118.409 119.070 0.044 0.000 2.554 218 H HA -0.148 4.408 4.556 -0.000 0.000 0.290 218 H C 1.177 176.584 175.328 0.131 0.000 1.058 218 H CA 1.545 57.628 56.048 0.058 0.000 1.224 218 H CB -0.287 29.489 29.762 0.024 0.000 1.359 218 H HN 0.594 nan 8.280 nan 0.000 0.589 219 E N 1.263 121.224 120.200 -0.399 0.000 2.065 219 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 219 E C 2.295 178.900 176.600 0.008 0.000 0.960 219 E CA -0.327 55.906 56.400 -0.278 0.000 0.824 219 E CB 0.049 29.554 29.700 -0.326 0.000 0.793 219 E HN 0.327 nan 8.360 nan 0.000 0.459 220 R N 0.356 120.900 120.500 0.074 0.000 2.261 220 R HA -0.096 4.244 4.340 -0.000 0.000 0.236 220 R C 1.781 178.180 176.300 0.165 0.000 1.141 220 R CA 0.901 57.067 56.100 0.111 0.000 1.001 220 R CB -0.359 30.007 30.300 0.109 0.000 0.866 220 R HN 0.196 nan 8.270 nan 0.000 0.468 221 F N 0.605 120.600 119.950 0.074 0.000 2.446 221 F HA 0.014 4.541 4.527 -0.000 0.000 0.292 221 F C 2.614 178.512 175.800 0.163 0.000 1.096 221 F CA 0.589 58.687 58.000 0.162 0.000 1.438 221 F CB -0.129 38.953 39.000 0.137 0.000 1.107 221 F HN -0.091 nan 8.300 nan 0.000 0.546 222 Q N 0.899 120.858 119.800 0.265 0.000 1.990 222 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 222 Q C 2.252 178.350 176.000 0.164 0.000 0.980 222 Q CA 2.102 58.020 55.803 0.191 0.000 0.832 222 Q CB -0.695 28.140 28.738 0.161 0.000 0.897 222 Q HN 0.495 nan 8.270 nan 0.000 0.427 223 Q N -1.257 118.630 119.800 0.144 0.000 2.217 223 Q HA -0.254 4.086 4.340 -0.000 0.000 0.209 223 Q C 1.730 177.832 176.000 0.169 0.000 0.988 223 Q CA 1.742 57.622 55.803 0.128 0.000 0.878 223 Q CB -0.520 28.271 28.738 0.088 0.000 0.909 223 Q HN 0.492 nan 8.270 nan 0.000 0.424 224 Y N 0.592 120.886 120.300 -0.009 0.000 2.092 224 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 224 Y C 2.643 178.552 175.900 0.016 0.000 1.126 224 Y CA 1.499 59.581 58.100 -0.030 0.000 1.111 224 Y CB -1.143 37.229 38.460 -0.148 0.000 0.987 224 Y HN 0.277 nan 8.280 nan 0.000 0.489 225 S N -0.009 115.661 115.700 -0.050 0.000 2.378 225 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 225 S C 1.951 176.457 174.600 -0.156 0.000 1.052 225 S CA 2.111 60.180 58.200 -0.217 0.000 1.084 225 S CB -0.448 62.691 63.200 -0.100 0.000 0.950 225 S HN 0.679 nan 8.310 nan 0.000 0.440 226 E N -0.127 120.053 120.200 -0.032 0.000 2.031 226 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 226 E C 2.157 178.750 176.600 -0.012 0.000 0.994 226 E CA 1.489 57.876 56.400 -0.021 0.000 0.800 226 E CB -0.296 29.438 29.700 0.058 0.000 0.752 226 E HN 0.471 nan 8.360 nan 0.000 0.447 227 M N 0.743 120.370 119.600 0.046 0.000 2.226 227 M HA -0.240 4.239 4.480 -0.000 0.000 0.257 227 M C 2.183 178.498 176.300 0.025 0.000 1.070 227 M CA 1.773 57.112 55.300 0.066 0.000 1.087 227 M CB -0.194 32.501 32.600 0.158 0.000 1.278 227 M HN 0.060 nan 8.290 nan 0.000 0.426 228 M N -0.664 118.929 119.600 -0.011 0.000 2.279 228 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 228 M C 2.208 178.436 176.300 -0.121 0.000 1.062 228 M CA 1.474 56.739 55.300 -0.058 0.000 1.099 228 M CB -1.569 30.950 32.600 -0.136 0.000 1.394 228 M HN 0.521 nan 8.290 nan 0.000 0.426 229 A N 1.830 124.557 122.820 -0.154 0.000 1.837 229 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 229 A C 2.020 179.551 177.584 -0.088 0.000 1.210 229 A CA 2.387 54.333 52.037 -0.152 0.000 0.632 229 A CB -1.026 17.879 19.000 -0.158 0.000 0.843 229 A HN 0.664 nan 8.150 nan 0.000 0.448 230 E N -0.528 119.638 120.200 -0.057 0.000 2.038 230 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 230 E C 1.458 178.068 176.600 0.016 0.000 1.000 230 E CA 1.338 57.722 56.400 -0.026 0.000 0.803 230 E CB -0.627 29.055 29.700 -0.029 0.000 0.750 230 E HN 0.483 nan 8.360 nan 0.000 0.448 231 D N 0.843 121.255 120.400 0.019 0.000 2.126 231 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 231 D C 1.944 178.297 176.300 0.089 0.000 1.001 231 D CA 1.851 55.889 54.000 0.063 0.000 0.841 231 D CB -0.365 40.471 40.800 0.060 0.000 0.949 231 D HN 0.226 nan 8.370 nan 0.000 0.446 232 E N 0.744 120.961 120.200 0.028 0.000 2.023 232 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 232 E C 1.962 178.569 176.600 0.010 0.000 1.003 232 E CA 1.668 58.072 56.400 0.005 0.000 0.809 232 E CB -0.418 29.250 29.700 -0.053 0.000 0.755 232 E HN 0.343 nan 8.360 nan 0.000 0.449 233 Q N -0.680 119.122 119.800 0.003 0.000 2.124 233 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 233 Q C 2.099 178.133 176.000 0.057 0.000 0.977 233 Q CA 1.401 57.203 55.803 -0.001 0.000 0.850 233 Q CB -0.469 28.255 28.738 -0.023 0.000 0.901 233 Q HN 0.376 nan 8.270 nan 0.000 0.429 234 F N 1.675 121.594 119.950 -0.052 0.000 2.008 234 F HA -0.330 4.196 4.527 -0.001 0.000 0.297 234 F C 1.895 177.669 175.800 -0.043 0.000 1.156 234 F CA 1.667 59.641 58.000 -0.043 0.000 1.191 234 F CB -0.998 37.981 39.000 -0.034 0.000 0.955 234 F HN 0.138 nan 8.300 nan 0.000 0.497 235 L N 0.955 122.077 121.223 -0.168 0.000 2.058 235 L HA -0.326 4.013 4.340 -0.000 0.000 0.226 235 L C 2.515 179.246 176.870 -0.231 0.000 1.089 235 L CA 2.188 56.867 54.840 -0.267 0.000 0.799 235 L CB -1.624 40.384 42.059 -0.086 0.000 0.900 235 L HN 0.293 nan 8.230 nan 0.000 0.442 236 E N -0.510 119.610 120.200 -0.133 0.000 2.068 236 E HA -0.319 4.030 4.350 -0.000 0.000 0.207 236 E C 2.093 178.609 176.600 -0.139 0.000 1.032 236 E CA 1.755 58.087 56.400 -0.113 0.000 0.839 236 E CB -0.321 29.332 29.700 -0.079 0.000 0.758 236 E HN 0.654 nan 8.360 nan 0.000 0.457 237 E N 0.334 120.443 120.200 -0.152 0.000 2.048 237 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 237 E C 2.374 178.858 176.600 -0.194 0.000 1.021 237 E CA 1.446 57.756 56.400 -0.150 0.000 0.825 237 E CB -0.147 29.475 29.700 -0.130 0.000 0.756 237 E HN 0.072 nan 8.360 nan 0.000 0.454 238 L N 1.142 122.181 121.223 -0.307 0.000 1.971 238 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 238 L C 2.641 179.391 176.870 -0.200 0.000 1.072 238 L CA 2.204 56.872 54.840 -0.285 0.000 0.758 238 L CB -1.002 40.825 42.059 -0.387 0.000 0.889 238 L HN 0.287 nan 8.230 nan 0.000 0.433 239 A N -0.371 122.335 122.820 -0.190 0.000 1.870 239 A HA -0.375 3.945 4.320 -0.000 0.000 0.219 239 A C 2.465 179.971 177.584 -0.130 0.000 1.286 239 A CA 3.227 55.174 52.037 -0.150 0.000 0.682 239 A CB -1.538 17.388 19.000 -0.124 0.000 0.844 239 A HN 0.490 nan 8.150 nan 0.000 0.460 240 A N -0.675 122.076 122.820 -0.116 0.000 1.873 240 A HA -0.384 3.936 4.320 -0.000 0.000 0.219 240 A C 1.852 179.378 177.584 -0.096 0.000 1.269 240 A CA 2.515 54.494 52.037 -0.097 0.000 0.671 240 A CB -1.370 17.578 19.000 -0.086 0.000 0.842 240 A HN 0.651 nan 8.150 nan 0.000 0.460 241 D N -0.465 119.876 120.400 -0.099 0.000 2.160 241 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 241 D C 2.308 178.552 176.300 -0.094 0.000 1.003 241 D CA 2.003 55.949 54.000 -0.089 0.000 0.846 241 D CB -0.596 40.149 40.800 -0.092 0.000 0.949 241 D HN 0.488 nan 8.370 nan 0.000 0.446 242 A N 1.339 124.089 122.820 -0.116 0.000 1.863 242 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 242 A C 2.292 179.810 177.584 -0.109 0.000 1.233 242 A CA 2.281 54.242 52.037 -0.127 0.000 0.655 242 A CB -1.279 17.619 19.000 -0.170 0.000 0.839 242 A HN 0.318 nan 8.150 nan 0.000 0.454 243 L N 0.112 121.269 121.223 -0.109 0.000 2.064 243 L HA -0.363 3.977 4.340 -0.000 0.000 0.234 243 L C 1.960 178.782 176.870 -0.080 0.000 1.103 243 L CA 3.111 57.895 54.840 -0.093 0.000 0.824 243 L CB -0.963 41.039 42.059 -0.095 0.000 0.919 243 L HN 0.522 nan 8.230 nan 0.000 0.447 244 N N -0.353 118.302 118.700 -0.074 0.000 2.094 244 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 244 N C 1.356 176.837 175.510 -0.048 0.000 1.023 244 N CA 1.875 54.889 53.050 -0.060 0.000 0.857 244 N CB -0.218 38.237 38.487 -0.053 0.000 1.013 244 N HN 0.488 nan 8.380 nan 0.000 0.426 245 K N -0.224 120.146 120.400 -0.051 0.000 2.505 245 K HA 0.109 4.429 4.320 -0.000 0.000 0.192 245 K C 0.346 176.928 176.600 -0.029 0.000 1.025 245 K CA 0.331 56.595 56.287 -0.039 0.000 1.086 245 K CB 0.580 33.053 32.500 -0.045 0.000 0.840 245 K HN 0.118 nan 8.250 nan 0.000 0.514 246 V N -1.742 118.154 119.914 -0.030 0.000 3.411 246 V HA 0.201 4.321 4.120 -0.000 0.000 0.287 246 V C 0.142 176.227 176.094 -0.016 0.000 1.543 246 V CA -0.441 61.859 62.300 -0.001 0.000 1.028 246 V CB 0.124 31.966 31.823 0.031 0.000 0.840 246 V HN 0.193 nan 8.190 nan 0.000 0.435 247 M N 2.185 121.756 119.600 -0.049 0.000 2.201 247 M HA 0.369 4.849 4.480 -0.000 0.000 0.345 247 M C 0.272 176.534 176.300 -0.064 0.000 1.352 247 M CA -0.065 55.182 55.300 -0.088 0.000 1.218 247 M CB -0.234 32.300 32.600 -0.110 0.000 1.512 247 M HN 0.374 nan 8.290 nan 0.000 0.447 248 E N 2.546 122.708 120.200 -0.063 0.000 2.529 248 E HA -0.113 4.237 4.350 -0.000 0.000 0.259 248 E C 0.519 177.078 176.600 -0.068 0.000 0.966 248 E CA 0.537 56.934 56.400 -0.006 0.000 0.937 248 E CB 0.959 30.676 29.700 0.029 0.000 0.923 248 E HN 0.523 nan 8.360 nan 0.000 0.468 249 K N 2.700 123.159 120.400 0.099 0.000 3.134 249 K HA 0.031 4.351 4.320 -0.000 0.000 0.164 249 K C 0.386 177.097 176.600 0.185 0.000 1.133 249 K CA -0.359 55.973 56.287 0.074 0.000 1.402 249 K CB -0.147 32.399 32.500 0.077 0.000 1.945 249 K HN 0.122 nan 8.250 nan 0.000 0.482 250 Q N 1.554 121.486 119.800 0.220 0.000 2.300 250 Q HA 0.108 4.448 4.340 -0.000 0.000 0.262 250 Q C -1.100 175.094 176.000 0.324 0.000 1.109 250 Q CA 0.594 56.514 55.803 0.194 0.000 0.905 250 Q CB -0.108 28.680 28.738 0.082 0.000 1.280 250 Q HN 0.512 nan 8.270 nan 0.000 0.426 251 H N 1.381 120.449 119.070 -0.002 0.000 3.889 251 H HA 0.444 4.999 4.556 -0.000 0.000 0.351 251 H C 0.420 175.757 175.328 0.015 0.000 1.657 251 H CA -1.084 54.970 56.048 0.010 0.000 1.319 251 H CB 1.034 30.803 29.762 0.012 0.000 1.314 251 H HN 0.394 nan 8.280 nan 0.000 0.771 252 R N 0.149 120.760 120.500 0.185 0.000 2.087 252 R HA 0.043 4.383 4.340 -0.000 0.000 0.216 252 R C -0.513 175.850 176.300 0.104 0.000 1.114 252 R CA 0.846 57.018 56.100 0.120 0.000 1.002 252 R CB 0.257 30.624 30.300 0.113 0.000 0.903 252 R HN 0.527 nan 8.270 nan 0.000 0.445 253 D N -1.209 119.260 120.400 0.116 0.000 2.490 253 D HA 0.418 5.057 4.640 -0.000 0.000 0.232 253 D C -1.220 175.066 176.300 -0.024 0.000 1.053 253 D CA -0.440 53.583 54.000 0.037 0.000 0.914 253 D CB 2.070 42.910 40.800 0.066 0.000 1.431 253 D HN 0.104 nan 8.370 nan 0.000 0.483 254 A N 0.224 122.965 122.820 -0.133 0.000 2.295 254 A HA 0.774 5.094 4.320 -0.000 0.000 0.318 254 A C -0.365 177.039 177.584 -0.298 0.000 1.134 254 A CA -0.346 51.506 52.037 -0.308 0.000 0.827 254 A CB 0.951 19.775 19.000 -0.294 0.000 1.136 254 A HN 0.537 nan 8.150 nan 0.000 0.493 255 A N 0.459 123.019 122.820 -0.434 0.000 2.322 255 A HA 0.796 5.116 4.320 -0.000 0.000 0.327 255 A C -1.009 176.442 177.584 -0.221 0.000 1.134 255 A CA -0.490 51.406 52.037 -0.235 0.000 0.831 255 A CB 1.185 20.088 19.000 -0.161 0.000 1.288 255 A HN 1.917 nan 8.150 nan 0.000 0.472 256 L N 0.232 121.382 121.223 -0.122 0.000 2.476 256 L HA 0.596 4.936 4.340 -0.000 0.000 0.269 256 L C -0.702 176.161 176.870 -0.012 0.000 0.965 256 L CA 0.028 54.807 54.840 -0.102 0.000 0.845 256 L CB 2.076 44.019 42.059 -0.194 0.000 1.259 256 L HN 0.417 nan 8.230 nan 0.000 0.403 257 S N 5.882 121.597 115.700 0.024 0.000 2.422 257 S HA 0.316 4.786 4.470 -0.000 0.000 0.283 257 S C 1.694 176.343 174.600 0.081 0.000 1.163 257 S CA -0.618 57.613 58.200 0.052 0.000 1.054 257 S CB 0.192 63.423 63.200 0.053 0.000 0.967 257 S HN 0.602 nan 8.310 nan 0.000 0.499 258 I N 3.413 124.012 120.570 0.047 0.000 2.185 258 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 258 I C 2.458 178.642 176.117 0.111 0.000 1.088 258 I CA 1.587 62.907 61.300 0.032 0.000 1.347 258 I CB -1.967 36.035 38.000 0.003 0.000 1.041 258 I HN 0.709 nan 8.210 nan 0.000 0.415 259 G N 2.685 111.540 108.800 0.092 0.000 2.639 259 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 259 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 259 G C -0.294 174.670 174.900 0.107 0.000 1.267 259 G CA 1.245 46.398 45.100 0.088 0.000 0.801 259 G HN 0.319 nan 8.290 nan 0.000 0.592 260 P HA -0.205 nan 4.420 nan 0.000 0.215 260 P C 1.797 179.149 177.300 0.087 0.000 1.157 260 P CA 1.349 64.490 63.100 0.067 0.000 0.874 260 P CB -0.242 31.488 31.700 0.051 0.000 0.790 261 F N 0.755 120.697 119.950 -0.012 0.000 2.015 261 F HA -0.235 4.292 4.527 -0.001 0.000 0.297 261 F C 2.382 178.177 175.800 -0.007 0.000 1.141 261 F CA 1.647 59.638 58.000 -0.016 0.000 1.192 261 F CB -1.044 37.949 39.000 -0.012 0.000 0.957 261 F HN -0.291 nan 8.300 nan 0.000 0.491 262 L N 0.249 121.787 121.223 0.526 0.000 2.353 262 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 262 L C 2.136 179.081 176.870 0.125 0.000 1.133 262 L CA 1.217 56.274 54.840 0.363 0.000 0.798 262 L CB -0.513 41.698 42.059 0.253 0.000 0.922 262 L HN 0.308 nan 8.230 nan 0.000 0.445 263 E N -0.506 119.737 120.200 0.071 0.000 2.274 263 E HA -0.078 4.271 4.350 -0.000 0.000 0.194 263 E C 0.931 177.514 176.600 -0.029 0.000 0.996 263 E CA -0.088 56.324 56.400 0.020 0.000 0.840 263 E CB 0.115 29.825 29.700 0.016 0.000 0.772 263 E HN 0.419 nan 8.360 nan 0.000 0.491 264 L N 1.630 122.800 121.223 -0.089 0.000 2.453 264 L HA -0.024 4.316 4.340 -0.000 0.000 0.274 264 L C -2.054 174.751 176.870 -0.108 0.000 1.270 264 L CA -1.058 53.689 54.840 -0.156 0.000 0.822 264 L CB -0.275 41.579 42.059 -0.341 0.000 1.091 264 L HN -0.083 nan 8.230 nan 0.000 0.546 265 P HA 0.277 nan 4.420 nan 0.000 0.292 265 P C -0.340 176.913 177.300 -0.078 0.000 1.283 265 P CA -0.602 62.456 63.100 -0.070 0.000 0.835 265 P CB 1.153 32.816 31.700 -0.061 0.000 1.017 266 R N 3.053 123.533 120.500 -0.032 0.000 2.094 266 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 266 R C -0.750 175.534 176.300 -0.027 0.000 1.137 266 R CA 2.309 58.402 56.100 -0.011 0.000 0.943 266 R CB -1.911 28.404 30.300 0.025 0.000 0.850 266 R HN 0.485 nan 8.270 nan 0.000 0.433 267 P HA -0.227 nan 4.420 nan 0.000 0.220 267 P C 1.029 178.296 177.300 -0.055 0.000 1.155 267 P CA 1.653 64.739 63.100 -0.025 0.000 0.880 267 P CB -0.030 31.656 31.700 -0.023 0.000 0.790 268 L N -1.613 119.550 121.223 -0.100 0.000 2.127 268 L HA -0.105 4.234 4.340 -0.000 0.000 0.203 268 L C 2.717 179.472 176.870 -0.191 0.000 1.080 268 L CA 1.251 56.002 54.840 -0.148 0.000 0.768 268 L CB -1.117 40.832 42.059 -0.184 0.000 0.924 268 L HN -0.075 nan 8.230 nan 0.000 0.444 269 Q N -0.098 119.548 119.800 -0.256 0.000 2.118 269 Q HA -0.323 4.016 4.340 -0.000 0.000 0.211 269 Q C 2.295 178.315 176.000 0.035 0.000 0.998 269 Q CA 1.962 57.574 55.803 -0.318 0.000 0.872 269 Q CB -0.318 28.370 28.738 -0.084 0.000 0.925 269 Q HN 0.376 nan 8.270 nan 0.000 0.414 270 R N 0.285 120.808 120.500 0.038 0.000 2.088 270 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 270 R C 2.448 178.773 176.300 0.041 0.000 1.136 270 R CA 1.530 57.671 56.100 0.068 0.000 0.926 270 R CB 0.000 30.325 30.300 0.042 0.000 0.837 270 R HN 0.139 nan 8.270 nan 0.000 0.429 271 R N 0.127 120.620 120.500 -0.012 0.000 2.103 271 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 271 R C 2.366 178.651 176.300 -0.026 0.000 1.132 271 R CA 2.019 58.102 56.100 -0.028 0.000 0.925 271 R CB -1.367 28.895 30.300 -0.063 0.000 0.842 271 R HN 0.384 nan 8.270 nan 0.000 0.430 272 V N -0.247 119.636 119.914 -0.051 0.000 2.380 272 V HA -0.240 3.879 4.120 -0.000 0.000 0.251 272 V C 2.465 178.566 176.094 0.012 0.000 1.063 272 V CA 1.744 64.017 62.300 -0.044 0.000 1.055 272 V CB -0.897 30.882 31.823 -0.074 0.000 0.657 272 V HN 0.164 nan 8.190 nan 0.000 0.455 273 L N -0.279 121.000 121.223 0.093 0.000 1.961 273 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 273 L C 3.116 180.018 176.870 0.053 0.000 1.072 273 L CA 2.521 57.431 54.840 0.117 0.000 0.749 273 L CB -0.960 41.214 42.059 0.192 0.000 0.889 273 L HN 0.359 nan 8.230 nan 0.000 0.432 274 Q N -0.123 119.705 119.800 0.046 0.000 2.103 274 Q HA -0.279 4.061 4.340 -0.000 0.000 0.213 274 Q C 2.250 178.242 176.000 -0.013 0.000 1.008 274 Q CA 1.761 57.577 55.803 0.022 0.000 0.879 274 Q CB -0.373 28.375 28.738 0.016 0.000 0.946 274 Q HN 0.508 nan 8.270 nan 0.000 0.413 275 L N 0.196 121.399 121.223 -0.033 0.000 1.976 275 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 275 L C 2.499 179.315 176.870 -0.090 0.000 1.071 275 L CA 0.830 55.634 54.840 -0.060 0.000 0.746 275 L CB -1.000 41.018 42.059 -0.069 0.000 0.890 275 L HN 0.390 nan 8.230 nan 0.000 0.432 276 L N 0.750 121.911 121.223 -0.104 0.000 2.017 276 L HA -0.323 4.017 4.340 -0.000 0.000 0.234 276 L C 2.655 179.414 176.870 -0.185 0.000 1.097 276 L CA 2.437 57.177 54.840 -0.166 0.000 0.816 276 L CB -0.854 41.090 42.059 -0.192 0.000 0.914 276 L HN 0.248 nan 8.230 nan 0.000 0.444 277 L N -1.009 120.129 121.223 -0.142 0.000 2.083 277 L HA -0.234 4.105 4.340 -0.000 0.000 0.209 277 L C 2.505 179.187 176.870 -0.314 0.000 1.083 277 L CA 0.641 55.333 54.840 -0.247 0.000 0.752 277 L CB -0.912 41.075 42.059 -0.120 0.000 0.899 277 L HN 0.330 nan 8.230 nan 0.000 0.433 278 L N 0.593 121.733 121.223 -0.138 0.000 1.989 278 L HA -0.221 4.118 4.340 -0.000 0.000 0.211 278 L C 2.769 179.577 176.870 -0.103 0.000 1.071 278 L CA 1.854 56.653 54.840 -0.068 0.000 0.749 278 L CB -0.851 41.186 42.059 -0.037 0.000 0.890 278 L HN 0.229 nan 8.230 nan 0.000 0.431 279 R N -0.455 119.965 120.500 -0.134 0.000 2.112 279 R HA -0.189 4.150 4.340 -0.000 0.000 0.242 279 R C 2.198 178.384 176.300 -0.190 0.000 1.137 279 R CA 2.120 58.139 56.100 -0.136 0.000 0.944 279 R CB -0.596 29.614 30.300 -0.150 0.000 0.857 279 R HN 0.502 nan 8.270 nan 0.000 0.435 280 L N 0.096 121.115 121.223 -0.339 0.000 2.633 280 L HA -0.090 4.250 4.340 -0.000 0.000 0.235 280 L C 0.527 177.054 176.870 -0.571 0.000 1.163 280 L CA 0.723 55.249 54.840 -0.524 0.000 0.859 280 L CB -0.167 41.495 42.059 -0.661 0.000 0.973 280 L HN 0.530 nan 8.230 nan 0.000 0.451 281 Y N -3.537 116.722 120.300 -0.068 0.000 2.744 281 Y HA 0.320 4.870 4.550 -0.000 0.000 0.287 281 Y C 0.546 176.443 175.900 -0.006 0.000 0.926 281 Y CA -0.486 57.602 58.100 -0.020 0.000 1.131 281 Y CB -0.197 38.273 38.460 0.016 0.000 1.372 281 Y HN -0.248 nan 8.280 nan 0.000 0.519 282 G N 0.712 109.742 108.800 0.383 0.000 2.486 282 G HA2 0.499 4.458 3.960 -0.000 0.000 0.220 282 G HA3 0.499 4.458 3.960 -0.000 0.000 0.220 282 G C 0.265 175.284 174.900 0.198 0.000 1.313 282 G CA -0.075 45.147 45.100 0.202 0.000 1.187 282 G HN 1.395 nan 8.290 nan 0.000 0.599 283 G N 0.674 109.575 108.800 0.168 0.000 2.167 283 G HA2 0.195 4.155 3.960 -0.000 0.000 0.233 283 G HA3 0.195 4.155 3.960 -0.000 0.000 0.233 283 G C 0.865 175.808 174.900 0.071 0.000 0.493 283 G CA 0.904 46.071 45.100 0.112 0.000 1.034 283 G HN 2.074 nan 8.290 nan 0.000 0.410 284 V N 1.257 121.205 119.914 0.057 0.000 3.264 284 V HA 0.503 4.623 4.120 -0.000 0.000 0.304 284 V C -0.420 175.661 176.094 -0.021 0.000 1.086 284 V CA -1.140 61.121 62.300 -0.065 0.000 1.090 284 V CB 0.910 32.583 31.823 -0.251 0.000 1.112 284 V HN 0.311 nan 8.190 nan 0.000 0.472 285 P HA 0.101 nan 4.420 nan 0.000 0.212 285 P C -1.628 175.682 177.300 0.018 0.000 1.179 285 P CA 1.081 64.180 63.100 -0.002 0.000 0.898 285 P CB -1.182 30.513 31.700 -0.008 0.000 0.775 286 P HA 0.098 nan 4.420 nan 0.000 0.220 286 P C -0.103 177.268 177.300 0.119 0.000 1.778 286 P CA 0.666 63.797 63.100 0.053 0.000 0.912 286 P CB -0.485 31.237 31.700 0.037 0.000 1.861 287 T N 0.245 114.870 114.554 0.118 0.000 3.132 287 T HA 0.191 4.541 4.350 -0.000 0.000 0.274 287 T C 0.621 175.547 174.700 0.376 0.000 1.011 287 T CA -0.341 61.851 62.100 0.154 0.000 0.899 287 T CB -0.734 68.140 68.868 0.010 0.000 1.089 287 T HN 0.031 nan 8.240 nan 0.000 0.543 288 L N 3.308 124.668 121.223 0.229 0.000 3.715 288 L HA -0.230 4.110 4.340 -0.000 0.000 0.521 288 L C 1.815 178.781 176.870 0.161 0.000 1.002 288 L CA 0.337 55.251 54.840 0.123 0.000 0.896 288 L CB -2.003 40.035 42.059 -0.034 0.000 0.889 288 L HN 0.420 nan 8.230 nan 0.000 0.710 289 T N -0.560 114.074 114.554 0.133 0.000 2.341 289 T HA -0.338 4.012 4.350 -0.000 0.000 0.231 289 T C 1.773 176.524 174.700 0.085 0.000 1.443 289 T CA 1.469 63.641 62.100 0.120 0.000 1.212 289 T CB -0.683 68.234 68.868 0.081 0.000 0.862 289 T HN 0.717 nan 8.240 nan 0.000 0.398 290 S N 2.153 117.883 115.700 0.051 0.000 2.068 290 S HA -0.336 4.134 4.470 -0.000 0.000 0.498 290 S C 2.194 176.794 174.600 -0.000 0.000 0.963 290 S CA 3.061 61.277 58.200 0.027 0.000 3.049 290 S CB -1.968 61.236 63.200 0.008 0.000 2.163 290 S HN 1.281 nan 8.310 nan 0.000 0.541 291 V N 1.891 121.743 119.914 -0.103 0.000 2.250 291 V HA -0.301 3.818 4.120 -0.000 0.000 0.250 291 V C 2.247 178.131 176.094 -0.351 0.000 1.060 291 V CA 2.593 64.718 62.300 -0.291 0.000 1.030 291 V CB -1.269 30.254 31.823 -0.500 0.000 0.643 291 V HN 0.616 nan 8.190 nan 0.000 0.445 292 H N -0.108 118.884 119.070 -0.130 0.000 2.268 292 H HA 0.091 4.647 4.556 -0.000 0.000 0.304 292 H C 2.483 177.827 175.328 0.026 0.000 1.064 292 H CA 2.190 58.184 56.048 -0.090 0.000 1.316 292 H CB -0.270 29.470 29.762 -0.036 0.000 1.386 292 H HN 0.448 nan 8.280 nan 0.000 0.496 293 I N 0.827 121.513 120.570 0.193 0.000 2.145 293 I HA -0.281 3.889 4.170 -0.000 0.000 0.244 293 I C 2.726 178.931 176.117 0.146 0.000 1.075 293 I CA 1.497 62.890 61.300 0.155 0.000 1.332 293 I CB -0.530 37.549 38.000 0.131 0.000 1.033 293 I HN 0.317 nan 8.210 nan 0.000 0.410 294 G N -0.612 108.272 108.800 0.141 0.000 2.553 294 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 294 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 294 G C 1.364 176.375 174.900 0.185 0.000 1.195 294 G CA 1.336 46.528 45.100 0.154 0.000 0.779 294 G HN 0.376 nan 8.290 nan 0.000 0.577 295 H N 0.530 119.608 119.070 0.014 0.000 2.319 295 H HA -0.064 4.492 4.556 -0.000 0.000 0.297 295 H C 2.722 178.044 175.328 -0.011 0.000 1.097 295 H CA 1.176 57.223 56.048 -0.003 0.000 1.285 295 H CB -0.321 29.439 29.762 -0.004 0.000 1.368 295 H HN 0.202 nan 8.280 nan 0.000 0.495 296 I N 0.071 120.723 120.570 0.136 0.000 2.053 296 I HA -0.292 3.878 4.170 -0.000 0.000 0.236 296 I C 2.483 178.597 176.117 -0.005 0.000 1.038 296 I CA 1.239 62.562 61.300 0.039 0.000 1.304 296 I CB -1.304 36.738 38.000 0.070 0.000 1.023 296 I HN 0.207 nan 8.210 nan 0.000 0.395 297 L N -0.379 120.861 121.223 0.028 0.000 2.034 297 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 297 L C 2.744 179.611 176.870 -0.006 0.000 1.077 297 L CA 2.138 56.989 54.840 0.018 0.000 0.769 297 L CB -0.568 41.542 42.059 0.087 0.000 0.890 297 L HN 0.242 nan 8.230 nan 0.000 0.435 298 M N -1.504 118.091 119.600 -0.009 0.000 2.080 298 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 298 M C 2.018 178.281 176.300 -0.061 0.000 1.068 298 M CA 1.642 56.914 55.300 -0.047 0.000 1.109 298 M CB -0.291 32.246 32.600 -0.105 0.000 1.342 298 M HN 0.227 nan 8.290 nan 0.000 0.405 299 L N -0.441 120.744 121.223 -0.063 0.000 2.450 299 L HA -0.216 4.124 4.340 -0.000 0.000 0.224 299 L C 1.190 178.015 176.870 -0.076 0.000 1.149 299 L CA 1.228 56.024 54.840 -0.073 0.000 0.816 299 L CB -0.479 41.538 42.059 -0.069 0.000 0.932 299 L HN 0.549 nan 8.230 nan 0.000 0.449 300 C N -1.090 118.163 119.300 -0.077 0.000 3.019 300 C HA 0.099 4.559 4.460 -0.000 0.000 0.295 300 C C 2.097 177.058 174.990 -0.049 0.000 1.256 300 C CA -0.348 58.619 59.018 -0.085 0.000 1.706 300 C CB 0.089 27.732 27.740 -0.161 0.000 2.153 300 C HN 0.474 nan 8.230 nan 0.000 0.618 301 E N 0.539 120.719 120.200 -0.033 0.000 2.447 301 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 301 E C 0.811 177.394 176.600 -0.027 0.000 1.028 301 E CA -0.077 56.314 56.400 -0.015 0.000 0.876 301 E CB 0.213 29.913 29.700 0.001 0.000 0.885 301 E HN 0.367 nan 8.360 nan 0.000 0.500 302 R N 0.288 120.762 120.500 -0.044 0.000 2.890 302 R HA -0.076 4.264 4.340 -0.000 0.000 0.271 302 R C 1.348 177.619 176.300 -0.047 0.000 0.983 302 R CA 0.771 56.840 56.100 -0.052 0.000 1.145 302 R CB -0.110 30.149 30.300 -0.068 0.000 1.050 302 R HN 0.309 nan 8.270 nan 0.000 0.465 303 G N 1.113 109.883 108.800 -0.050 0.000 2.490 303 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.211 303 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.211 303 G C 0.095 174.951 174.900 -0.074 0.000 1.159 303 G CA -0.137 44.933 45.100 -0.050 0.000 0.819 303 G HN 0.336 nan 8.290 nan 0.000 0.539 304 R N 1.339 121.790 120.500 -0.082 0.000 2.399 304 R HA 0.224 4.564 4.340 -0.000 0.000 0.324 304 R C -1.533 174.683 176.300 -0.141 0.000 1.030 304 R CA -0.958 55.078 56.100 -0.107 0.000 0.984 304 R CB 1.090 31.336 30.300 -0.090 0.000 0.961 304 R HN 0.166 nan 8.270 nan 0.000 0.433 305 P HA -0.091 nan 4.420 nan 0.000 0.217 305 P C -0.210 176.918 177.300 -0.287 0.000 1.150 305 P CA 1.077 63.975 63.100 -0.336 0.000 0.832 305 P CB 0.392 31.697 31.700 -0.658 0.000 0.787 306 S N -0.179 115.382 115.700 -0.231 0.000 2.505 306 S HA 0.515 4.985 4.470 -0.000 0.000 0.276 306 S C 0.466 175.002 174.600 -0.106 0.000 1.274 306 S CA -0.036 58.078 58.200 -0.144 0.000 1.053 306 S CB 0.145 63.277 63.200 -0.113 0.000 0.919 306 S HN 0.156 nan 8.310 nan 0.000 0.490 307 G N 3.523 112.272 108.800 -0.084 0.000 2.608 307 G HA2 0.456 4.416 3.960 -0.000 0.000 0.285 307 G HA3 0.456 4.416 3.960 -0.000 0.000 0.285 307 G C -1.026 173.836 174.900 -0.063 0.000 1.407 307 G CA -0.526 44.530 45.100 -0.074 0.000 1.276 307 G HN 0.534 nan 8.290 nan 0.000 0.587 308 M N 2.250 121.818 119.600 -0.054 0.000 2.472 308 M HA 0.650 5.130 4.480 -0.000 0.000 0.331 308 M C -0.930 175.346 176.300 -0.040 0.000 1.170 308 M CA -0.760 54.511 55.300 -0.048 0.000 1.009 308 M CB 2.073 34.653 32.600 -0.035 0.000 1.672 308 M HN 0.378 nan 8.290 nan 0.000 0.453 309 I N 1.648 122.192 120.570 -0.044 0.000 2.644 309 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 309 I C -1.254 174.856 176.117 -0.011 0.000 1.180 309 I CA -0.723 60.568 61.300 -0.015 0.000 1.040 309 I CB 2.521 40.508 38.000 -0.021 0.000 1.255 309 I HN 0.483 nan 8.210 nan 0.000 0.422 310 D N 6.822 127.237 120.400 0.024 0.000 2.193 310 D HA 0.566 5.205 4.640 -0.000 0.000 0.244 310 D C -0.616 175.718 176.300 0.057 0.000 1.064 310 D CA -0.118 53.898 54.000 0.027 0.000 0.845 310 D CB 2.336 43.152 40.800 0.027 0.000 1.148 310 D HN 0.201 nan 8.370 nan 0.000 0.464 311 L N 2.473 123.722 121.223 0.043 0.000 2.256 311 L HA 0.476 4.816 4.340 -0.000 0.000 0.261 311 L C -2.200 174.693 176.870 0.039 0.000 1.022 311 L CA -1.968 52.894 54.840 0.037 0.000 0.828 311 L CB 2.393 44.436 42.059 -0.026 0.000 1.374 311 L HN 0.109 nan 8.230 nan 0.000 0.436 312 P HA 0.028 nan 4.420 nan 0.000 0.269 312 P C -0.850 176.457 177.300 0.012 0.000 1.209 312 P CA -0.017 63.078 63.100 -0.008 0.000 0.776 312 P CB 0.496 32.153 31.700 -0.073 0.000 0.876 313 K N 1.579 121.967 120.400 -0.020 0.000 3.148 313 K HA -0.184 4.136 4.320 -0.000 0.000 0.267 313 K C 0.931 177.575 176.600 0.073 0.000 0.996 313 K CA 0.586 56.870 56.287 -0.005 0.000 0.737 313 K CB -2.254 30.199 32.500 -0.079 0.000 1.308 313 K HN 0.990 nan 8.250 nan 0.000 0.470 314 G N 0.674 109.503 108.800 0.049 0.000 2.337 314 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.290 314 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.290 314 G C 0.121 175.084 174.900 0.106 0.000 1.003 314 G CA 0.642 45.770 45.100 0.046 0.000 0.825 314 G HN 0.490 nan 8.290 nan 0.000 0.509 315 L N -0.659 120.671 121.223 0.177 0.000 2.380 315 L HA 0.600 4.940 4.340 -0.000 0.000 0.273 315 L C 0.194 177.121 176.870 0.095 0.000 1.138 315 L CA -0.156 54.830 54.840 0.244 0.000 0.832 315 L CB 0.505 42.743 42.059 0.299 0.000 1.124 315 L HN 0.186 nan 8.230 nan 0.000 0.454 316 K N 4.370 124.810 120.400 0.067 0.000 2.375 316 K HA 0.666 4.986 4.320 -0.000 0.000 0.249 316 K C -1.515 175.001 176.600 -0.140 0.000 0.942 316 K CA -0.795 55.480 56.287 -0.021 0.000 0.806 316 K CB 2.760 35.267 32.500 0.012 0.000 1.227 316 K HN 0.396 nan 8.250 nan 0.000 0.430 317 V N 3.397 123.182 119.914 -0.214 0.000 2.525 317 V HA 0.464 4.584 4.120 -0.000 0.000 0.299 317 V C -0.984 174.971 176.094 -0.233 0.000 1.034 317 V CA -0.845 61.209 62.300 -0.410 0.000 0.863 317 V CB 1.283 32.738 31.823 -0.612 0.000 0.999 317 V HN 0.591 nan 8.190 nan 0.000 0.423 318 I N 4.017 124.485 120.570 -0.170 0.000 2.545 318 I HA 0.609 4.778 4.170 -0.000 0.000 0.292 318 I C -0.147 175.951 176.117 -0.030 0.000 1.040 318 I CA -0.545 60.713 61.300 -0.071 0.000 1.068 318 I CB 2.147 40.134 38.000 -0.022 0.000 1.251 318 I HN 0.655 nan 8.210 nan 0.000 0.424 319 R N 3.426 123.905 120.500 -0.036 0.000 2.338 319 R HA 0.701 5.041 4.340 -0.000 0.000 0.317 319 R C -0.910 175.386 176.300 -0.008 0.000 0.968 319 R CA -0.215 55.874 56.100 -0.018 0.000 0.849 319 R CB 1.366 31.636 30.300 -0.050 0.000 1.128 319 R HN 0.620 nan 8.270 nan 0.000 0.448 320 S N 4.380 120.112 115.700 0.052 0.000 2.532 320 S HA 0.308 4.778 4.470 -0.000 0.000 0.256 320 S C -0.423 174.328 174.600 0.251 0.000 1.298 320 S CA -0.377 57.904 58.200 0.135 0.000 1.166 320 S CB -0.180 63.120 63.200 0.168 0.000 1.022 320 S HN 0.788 nan 8.310 nan 0.000 0.480 321 Y N 2.729 123.028 120.300 -0.001 0.000 2.780 321 Y HA -0.383 4.167 4.550 -0.000 0.000 0.474 321 Y C 1.463 177.366 175.900 0.004 0.000 1.117 321 Y CA 2.149 60.250 58.100 0.001 0.000 2.819 321 Y CB -1.302 37.162 38.460 0.005 0.000 1.131 321 Y HN 0.664 nan 8.280 nan 0.000 0.611 322 D N 0.301 120.828 120.400 0.211 0.000 2.398 322 D HA 0.173 4.812 4.640 -0.000 0.000 0.210 322 D C 0.695 177.046 176.300 0.085 0.000 1.094 322 D CA 0.077 54.145 54.000 0.113 0.000 0.839 322 D CB 0.228 41.088 40.800 0.101 0.000 0.963 322 D HN 0.223 nan 8.370 nan 0.000 0.506 323 R N -0.518 120.042 120.500 0.100 0.000 2.546 323 R HA 0.534 4.874 4.340 -0.000 0.000 0.266 323 R C -1.260 175.084 176.300 0.073 0.000 1.086 323 R CA -0.481 55.669 56.100 0.083 0.000 1.160 323 R CB 1.418 31.777 30.300 0.099 0.000 1.138 323 R HN 0.086 nan 8.270 nan 0.000 0.567 324 C N 4.429 123.780 119.300 0.084 0.000 2.949 324 C HA 0.370 4.829 4.460 -0.000 0.000 0.306 324 C C -0.855 174.293 174.990 0.264 0.000 1.045 324 C CA -0.712 58.394 59.018 0.147 0.000 1.414 324 C CB -0.494 27.341 27.740 0.159 0.000 1.854 324 C HN 0.694 nan 8.230 nan 0.000 0.487 325 L N 5.072 126.415 121.223 0.200 0.000 2.361 325 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 325 L C -0.486 176.588 176.870 0.339 0.000 1.113 325 L CA 0.368 55.337 54.840 0.214 0.000 0.849 325 L CB 0.251 42.380 42.059 0.117 0.000 1.155 325 L HN 0.432 nan 8.230 nan 0.000 0.452 326 F N 1.881 121.799 119.950 -0.054 0.000 2.332 326 F HA 0.385 4.912 4.527 -0.001 0.000 0.368 326 F C 0.506 176.288 175.800 -0.031 0.000 1.110 326 F CA -0.650 57.315 58.000 -0.059 0.000 1.087 326 F CB 1.492 40.423 39.000 -0.115 0.000 1.235 326 F HN 0.238 nan 8.300 nan 0.000 0.470 327 T N 5.159 119.801 114.554 0.147 0.000 2.881 327 T HA 0.296 4.645 4.350 -0.000 0.000 0.291 327 T C 0.883 175.756 174.700 0.289 0.000 0.990 327 T CA -0.482 61.742 62.100 0.207 0.000 0.976 327 T CB 0.423 69.398 68.868 0.178 0.000 0.970 327 T HN 0.463 nan 8.240 nan 0.000 0.438 328 F N 1.503 121.482 119.950 0.049 0.000 2.710 328 F HA 0.169 4.696 4.527 -0.000 0.000 0.298 328 F C 1.577 177.402 175.800 0.042 0.000 1.137 328 F CA -0.413 57.618 58.000 0.051 0.000 1.444 328 F CB -0.046 39.013 39.000 0.099 0.000 1.111 328 F HN 0.462 nan 8.300 nan 0.000 0.580 329 D N 2.451 123.046 120.400 0.325 0.000 1.888 329 D HA 0.056 4.695 4.640 -0.000 0.000 0.284 329 D C 0.505 176.812 176.300 0.011 0.000 1.384 329 D CA 2.120 56.155 54.000 0.058 0.000 1.146 329 D CB -0.210 40.678 40.800 0.148 0.000 2.055 329 D HN 0.481 nan 8.370 nan 0.000 0.666 330 A N -2.437 120.407 122.820 0.041 0.000 2.415 330 A HA 0.434 4.753 4.320 -0.000 0.000 0.294 330 A C 0.065 177.668 177.584 0.031 0.000 1.019 330 A CA -0.012 52.038 52.037 0.022 0.000 0.603 330 A CB 0.216 19.215 19.000 -0.002 0.000 1.382 330 A HN 0.311 nan 8.150 nan 0.000 0.483 331 E N -0.473 119.739 120.200 0.020 0.000 2.444 331 E HA 0.202 4.551 4.350 -0.000 0.000 0.203 331 E C 0.066 176.673 176.600 0.011 0.000 0.847 331 E CA 0.271 56.683 56.400 0.021 0.000 1.142 331 E CB 0.817 30.527 29.700 0.017 0.000 1.125 331 E HN 0.483 nan 8.360 nan 0.000 0.521 332 S N 0.144 115.846 115.700 0.003 0.000 2.523 332 S HA 0.485 4.955 4.470 -0.000 0.000 0.275 332 S C 0.401 175.001 174.600 0.001 0.000 1.281 332 S CA 0.480 58.679 58.200 -0.001 0.000 1.050 332 S CB 1.262 64.458 63.200 -0.007 0.000 0.937 332 S HN 0.563 nan 8.310 nan 0.000 0.492 333 G N 2.898 111.700 108.800 0.003 0.000 3.050 333 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.234 333 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.234 333 G C -0.513 174.389 174.900 0.002 0.000 1.521 333 G CA -0.010 45.093 45.100 0.005 0.000 1.090 333 G HN 0.779 nan 8.290 nan 0.000 0.556 334 E N -1.100 119.098 120.200 -0.004 0.000 6.196 334 E HA 0.229 4.579 4.350 -0.000 0.000 0.553 334 E C -0.693 175.900 176.600 -0.011 0.000 1.416 334 E CA 0.517 56.912 56.400 -0.007 0.000 3.029 334 E CB -0.511 29.190 29.700 0.001 0.000 0.792 334 E HN 0.832 nan 8.360 nan 0.000 0.262 335 K N -1.137 119.251 120.400 -0.020 0.000 2.770 335 K HA 0.674 4.994 4.320 -0.000 0.000 0.289 335 K C -1.031 175.535 176.600 -0.058 0.000 1.051 335 K CA -0.251 56.012 56.287 -0.040 0.000 0.814 335 K CB 1.994 34.451 32.500 -0.072 0.000 1.512 335 K HN 0.974 nan 8.250 nan 0.000 0.368 336 G N 0.082 108.802 108.800 -0.133 0.000 2.459 336 G HA2 0.215 4.175 3.960 -0.000 0.000 0.685 336 G HA3 0.215 4.175 3.960 -0.000 0.000 0.685 336 G C -1.998 172.862 174.900 -0.066 0.000 1.303 336 G CA -0.443 44.554 45.100 -0.173 0.000 0.907 336 G HN 1.095 nan 8.290 nan 0.000 0.632 337 Y N -3.019 117.336 120.300 0.091 0.000 2.661 337 Y HA 0.690 5.240 4.550 -0.000 0.000 0.339 337 Y C -1.563 174.500 175.900 0.271 0.000 1.186 337 Y CA -1.833 56.377 58.100 0.183 0.000 1.137 337 Y CB 1.135 39.634 38.460 0.065 0.000 1.354 337 Y HN 1.459 nan 8.280 nan 0.000 0.469 338 W N 5.405 127.042 121.300 0.562 0.000 2.968 338 W HA 0.695 5.354 4.660 -0.000 0.000 0.337 338 W C -2.857 174.098 176.519 0.726 0.000 1.060 338 W CA -1.969 55.638 57.345 0.437 0.000 1.240 338 W CB 1.524 31.128 29.460 0.239 0.000 1.370 338 W HN 0.675 nan 8.180 nan 0.000 0.459 339 F N 3.586 123.421 119.950 -0.192 0.000 2.565 339 F HA 0.285 4.812 4.527 -0.000 0.000 0.313 339 F C 0.697 176.318 175.800 -0.299 0.000 1.091 339 F CA -1.182 56.733 58.000 -0.142 0.000 0.915 339 F CB 2.491 41.389 39.000 -0.169 0.000 1.208 339 F HN 0.118 nan 8.300 nan 0.000 0.453 340 E N 1.517 121.734 120.200 0.028 0.000 2.373 340 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 340 E C -1.223 175.378 176.600 0.003 0.000 1.073 340 E CA -0.650 55.739 56.400 -0.018 0.000 0.894 340 E CB 1.488 31.214 29.700 0.043 0.000 1.008 340 E HN 0.235 nan 8.360 nan 0.000 0.420 341 L N 5.489 126.699 121.223 -0.021 0.000 2.297 341 L HA 0.338 4.678 4.340 -0.000 0.000 0.277 341 L C -2.451 174.421 176.870 0.003 0.000 1.040 341 L CA -2.139 52.696 54.840 -0.009 0.000 0.867 341 L CB 0.723 42.762 42.059 -0.032 0.000 1.244 341 L HN 0.266 nan 8.230 nan 0.000 0.433 342 P HA 0.187 nan 4.420 nan 0.000 0.271 342 P C -1.167 176.132 177.300 -0.002 0.000 1.216 342 P CA -0.040 63.072 63.100 0.019 0.000 0.771 342 P CB 1.212 32.924 31.700 0.021 0.000 0.864 343 V N 5.121 125.039 119.914 0.008 0.000 2.686 343 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 343 V C -2.544 173.574 176.094 0.041 0.000 1.065 343 V CA -2.228 60.017 62.300 -0.092 0.000 0.894 343 V CB 2.007 33.684 31.823 -0.242 0.000 1.004 343 V HN 0.444 nan 8.190 nan 0.000 0.424 344 P HA 0.838 nan 4.420 nan 0.000 0.276 344 P C -0.958 176.332 177.300 -0.017 0.000 1.244 344 P CA -0.232 62.815 63.100 -0.087 0.000 0.801 344 P CB 1.486 33.169 31.700 -0.028 0.000 1.006 345 A N 1.126 123.931 122.820 -0.025 0.000 2.549 345 A HA 0.538 4.857 4.320 -0.000 0.000 0.291 345 A C -2.062 175.525 177.584 0.005 0.000 1.034 345 A CA -0.584 51.454 52.037 0.001 0.000 0.655 345 A CB 0.520 19.524 19.000 0.008 0.000 1.299 345 A HN 0.520 nan 8.150 nan 0.000 0.427 346 L N 1.662 122.895 121.223 0.016 0.000 2.384 346 L HA 0.575 4.914 4.340 -0.000 0.000 0.261 346 L C -1.194 175.695 176.870 0.032 0.000 1.024 346 L CA -0.525 54.329 54.840 0.023 0.000 0.899 346 L CB 0.605 42.677 42.059 0.021 0.000 1.243 346 L HN 0.725 nan 8.230 nan 0.000 0.449 347 L N 6.840 128.085 121.223 0.036 0.000 2.265 347 L HA 0.576 4.916 4.340 -0.000 0.000 0.288 347 L C -2.305 174.585 176.870 0.033 0.000 1.058 347 L CA -1.534 53.335 54.840 0.049 0.000 0.809 347 L CB 1.417 43.507 42.059 0.052 0.000 1.179 347 L HN 0.368 nan 8.230 nan 0.000 0.429 348 P HA 0.359 nan 4.420 nan 0.000 0.296 348 P C -1.125 176.158 177.300 -0.028 0.000 1.306 348 P CA -0.309 62.808 63.100 0.028 0.000 0.818 348 P CB 1.330 33.056 31.700 0.045 0.000 0.969 349 L N 5.856 127.040 121.223 -0.064 0.000 2.325 349 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 349 L C -1.454 175.383 176.870 -0.056 0.000 1.023 349 L CA -2.330 52.396 54.840 -0.189 0.000 0.811 349 L CB 1.958 43.885 42.059 -0.220 0.000 1.249 349 L HN 0.200 nan 8.230 nan 0.000 0.431 350 P HA -0.124 nan 4.420 nan 0.000 0.231 350 P C -0.295 177.032 177.300 0.045 0.000 1.154 350 P CA 0.936 64.081 63.100 0.076 0.000 0.762 350 P CB -0.245 31.576 31.700 0.201 0.000 0.790 351 N N -1.543 117.154 118.700 -0.004 0.000 2.699 351 N HA 0.213 4.953 4.740 -0.000 0.000 0.317 351 N C 0.896 176.295 175.510 -0.186 0.000 1.661 351 N CA -0.438 52.546 53.050 -0.110 0.000 0.979 351 N CB -0.885 37.496 38.487 -0.177 0.000 1.329 351 N HN -0.024 nan 8.380 nan 0.000 0.497 352 G N -0.365 108.408 108.800 -0.045 0.000 2.256 352 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.279 352 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.279 352 G C -0.509 174.554 174.900 0.271 0.000 0.998 352 G CA 1.083 46.210 45.100 0.045 0.000 0.720 352 G HN 0.464 nan 8.290 nan 0.000 0.521 353 Y N -0.650 119.628 120.300 -0.037 0.000 2.730 353 Y HA 0.857 5.407 4.550 -0.001 0.000 0.325 353 Y C 0.546 176.453 175.900 0.012 0.000 1.132 353 Y CA -1.735 56.331 58.100 -0.057 0.000 1.206 353 Y CB 1.667 40.064 38.460 -0.105 0.000 1.390 353 Y HN 0.776 nan 8.280 nan 0.000 0.555 354 A N 0.106 123.069 122.820 0.239 0.000 2.586 354 A HA 0.702 5.022 4.320 -0.000 0.000 0.291 354 A C -1.959 175.753 177.584 0.213 0.000 1.062 354 A CA -0.600 51.530 52.037 0.156 0.000 0.666 354 A CB 0.826 19.872 19.000 0.077 0.000 1.281 354 A HN 0.509 nan 8.150 nan 0.000 0.421 355 I N 0.768 121.416 120.570 0.130 0.000 2.530 355 I HA 0.543 4.713 4.170 -0.000 0.000 0.297 355 I C -0.928 175.248 176.117 0.098 0.000 1.011 355 I CA -0.621 60.770 61.300 0.153 0.000 1.107 355 I CB 1.875 39.927 38.000 0.087 0.000 1.285 355 I HN 0.499 nan 8.210 nan 0.000 0.436 356 I N 4.501 125.137 120.570 0.110 0.000 2.436 356 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 356 I C -0.207 175.930 176.117 0.033 0.000 1.010 356 I CA -0.367 60.966 61.300 0.055 0.000 1.098 356 I CB 1.870 39.896 38.000 0.043 0.000 1.266 356 I HN 0.520 nan 8.210 nan 0.000 0.434 357 S N 4.521 120.211 115.700 -0.018 0.000 2.501 357 S HA 0.865 5.335 4.470 -0.000 0.000 0.301 357 S C -0.711 173.791 174.600 -0.164 0.000 1.096 357 S CA -0.660 57.487 58.200 -0.089 0.000 1.063 357 S CB 1.845 64.977 63.200 -0.115 0.000 1.042 357 S HN 0.778 nan 8.310 nan 0.000 0.494 358 E N 1.146 121.201 120.200 -0.243 0.000 2.437 358 E HA 0.604 4.954 4.350 -0.000 0.000 0.280 358 E C -1.712 174.662 176.600 -0.377 0.000 1.044 358 E CA -1.100 55.140 56.400 -0.267 0.000 0.826 358 E CB 0.739 30.389 29.700 -0.085 0.000 1.358 358 E HN 0.503 nan 8.360 nan 0.000 0.459 359 F N -0.143 119.818 119.950 0.019 0.000 2.470 359 F HA 0.712 5.238 4.527 -0.000 0.000 0.329 359 F C 0.629 176.435 175.800 0.010 0.000 1.072 359 F CA -0.404 57.606 58.000 0.016 0.000 0.989 359 F CB 2.489 41.491 39.000 0.003 0.000 1.193 359 F HN 0.596 nan 8.300 nan 0.000 0.481 360 G N 1.680 110.623 108.800 0.238 0.000 2.704 360 G HA2 0.309 4.269 3.960 -0.000 0.000 0.280 360 G HA3 0.309 4.269 3.960 -0.000 0.000 0.280 360 G C -0.143 174.810 174.900 0.088 0.000 1.499 360 G CA -0.422 44.758 45.100 0.134 0.000 1.146 360 G HN 0.710 nan 8.290 nan 0.000 0.558 361 E N 2.029 122.217 120.200 -0.020 0.000 2.033 361 E HA -0.150 4.199 4.350 -0.000 0.000 0.199 361 E C 0.552 177.059 176.600 -0.155 0.000 1.011 361 E CA 1.358 57.648 56.400 -0.182 0.000 0.815 361 E CB -0.108 29.369 29.700 -0.371 0.000 0.755 361 E HN 0.743 nan 8.360 nan 0.000 0.451 362 H N -1.996 117.140 119.070 0.110 0.000 2.495 362 H HA 0.223 4.778 4.556 -0.000 0.000 0.350 362 H C -1.049 174.433 175.328 0.258 0.000 1.202 362 H CA -0.660 55.487 56.048 0.165 0.000 1.322 362 H CB 0.564 30.389 29.762 0.104 0.000 1.544 362 H HN 0.156 nan 8.280 nan 0.000 0.565 363 Y N 1.684 122.177 120.300 0.320 0.000 2.411 363 Y HA 0.138 4.687 4.550 -0.000 0.000 0.333 363 Y C -2.030 173.862 175.900 -0.014 0.000 1.186 363 Y CA -2.163 56.013 58.100 0.127 0.000 1.381 363 Y CB 0.514 39.007 38.460 0.055 0.000 1.273 363 Y HN 0.498 nan 8.280 nan 0.000 0.546 364 P HA 0.063 nan 4.420 nan 0.000 0.264 364 P C -0.648 176.642 177.300 -0.017 0.000 1.183 364 P CA 0.477 63.484 63.100 -0.155 0.000 0.763 364 P CB 0.650 32.080 31.700 -0.449 0.000 0.807 365 R N 0.869 121.293 120.500 -0.127 0.000 2.509 365 R HA 0.079 4.419 4.340 -0.000 0.000 0.297 365 R C 0.248 176.442 176.300 -0.176 0.000 0.951 365 R CA -0.212 55.825 56.100 -0.105 0.000 1.103 365 R CB 0.191 30.454 30.300 -0.062 0.000 1.283 365 R HN 0.473 nan 8.270 nan 0.000 0.534 366 K N 0.885 121.096 120.400 -0.315 0.000 2.414 366 K HA 0.056 4.376 4.320 -0.000 0.000 0.272 366 K C -0.155 176.291 176.600 -0.256 0.000 0.993 366 K CA -0.349 55.739 56.287 -0.332 0.000 0.964 366 K CB 0.702 32.900 32.500 -0.502 0.000 0.925 366 K HN -0.109 nan 8.250 nan 0.000 0.487 367 Q N 0.457 120.203 119.800 -0.090 0.000 2.379 367 Q HA -0.101 4.239 4.340 -0.000 0.000 0.320 367 Q C 0.151 176.293 176.000 0.237 0.000 1.153 367 Q CA 0.559 56.390 55.803 0.047 0.000 0.993 367 Q CB 0.367 29.142 28.738 0.061 0.000 1.265 367 Q HN 0.797 nan 8.270 nan 0.000 0.423 368 A N 1.070 124.034 122.820 0.239 0.000 2.583 368 A HA 0.413 4.733 4.320 -0.000 0.000 0.231 368 A C 0.577 178.359 177.584 0.330 0.000 1.065 368 A CA 0.851 53.074 52.037 0.310 0.000 0.760 368 A CB 0.024 19.106 19.000 0.137 0.000 1.001 368 A HN 0.850 nan 8.150 nan 0.000 0.509 369 G N -0.442 108.454 108.800 0.160 0.000 2.364 369 G HA2 0.383 4.343 3.960 -0.000 0.000 0.286 369 G HA3 0.383 4.343 3.960 -0.000 0.000 0.286 369 G C -0.163 174.542 174.900 -0.325 0.000 1.241 369 G CA 0.440 45.550 45.100 0.017 0.000 0.887 369 G HN 0.659 nan 8.290 nan 0.000 0.484 370 N N -1.599 116.960 118.700 -0.235 0.000 2.160 370 N HA 0.131 4.870 4.740 -0.000 0.000 0.242 370 N C 0.395 175.953 175.510 0.080 0.000 1.204 370 N CA 0.280 53.258 53.050 -0.121 0.000 0.813 370 N CB 0.840 39.374 38.487 0.078 0.000 1.384 370 N HN 0.269 nan 8.380 nan 0.000 0.476 371 D N 0.361 120.857 120.400 0.161 0.000 2.323 371 D HA 0.048 4.688 4.640 -0.000 0.000 0.239 371 D C -0.202 176.322 176.300 0.374 0.000 1.129 371 D CA 0.158 54.388 54.000 0.382 0.000 0.865 371 D CB -0.104 40.844 40.800 0.247 0.000 0.913 371 D HN 0.405 nan 8.370 nan 0.000 0.517 372 W N -0.487 120.825 121.300 0.020 0.000 3.083 372 W HA 0.643 5.303 4.660 -0.000 0.000 0.333 372 W C -1.890 174.324 176.519 -0.509 0.000 1.217 372 W CA -1.356 55.860 57.345 -0.216 0.000 1.170 372 W CB 0.642 30.026 29.460 -0.128 0.000 1.437 372 W HN -0.217 nan 8.180 nan 0.000 0.557 373 F N 1.808 121.503 119.950 -0.424 0.000 2.654 373 F HA 0.521 5.048 4.527 -0.001 0.000 0.314 373 F C -1.994 173.686 175.800 -0.201 0.000 1.116 373 F CA -0.778 56.819 58.000 -0.672 0.000 1.017 373 F CB 1.743 39.811 39.000 -1.552 0.000 1.285 373 F HN 0.260 nan 8.300 nan 0.000 0.448 374 V N 6.439 126.182 119.914 -0.284 0.000 2.495 374 V HA 0.742 4.861 4.120 -0.000 0.000 0.298 374 V C -1.121 174.947 176.094 -0.044 0.000 1.031 374 V CA -0.507 61.720 62.300 -0.123 0.000 0.871 374 V CB 1.980 33.637 31.823 -0.276 0.000 0.988 374 V HN 0.616 nan 8.190 nan 0.000 0.432 375 V N 2.683 122.665 119.914 0.113 0.000 2.735 375 V HA 0.583 4.703 4.120 -0.000 0.000 0.310 375 V C -0.663 175.567 176.094 0.227 0.000 1.061 375 V CA -0.975 61.452 62.300 0.212 0.000 0.913 375 V CB 2.044 34.018 31.823 0.252 0.000 1.005 375 V HN 0.760 nan 8.190 nan 0.000 0.428 376 D N 4.176 124.716 120.400 0.234 0.000 2.313 376 D HA 0.413 5.053 4.640 -0.000 0.000 0.239 376 D C -1.627 174.775 176.300 0.169 0.000 1.142 376 D CA -2.049 52.104 54.000 0.254 0.000 0.847 376 D CB 2.226 43.163 40.800 0.229 0.000 1.082 376 D HN 0.218 nan 8.370 nan 0.000 0.480 377 P HA -0.212 nan 4.420 nan 0.000 0.215 377 P C 0.868 178.214 177.300 0.076 0.000 1.163 377 P CA 1.979 65.151 63.100 0.119 0.000 0.894 377 P CB 0.153 31.911 31.700 0.096 0.000 0.791 378 A N 0.382 123.235 122.820 0.055 0.000 1.844 378 A HA -0.229 4.090 4.320 -0.000 0.000 0.214 378 A C 2.159 179.765 177.584 0.036 0.000 1.217 378 A CA 3.034 55.092 52.037 0.035 0.000 0.644 378 A CB -1.867 17.149 19.000 0.026 0.000 0.850 378 A HN 0.336 nan 8.150 nan 0.000 0.456 379 S N -1.614 114.113 115.700 0.044 0.000 2.776 379 S HA 0.247 4.717 4.470 -0.000 0.000 0.242 379 S C 0.137 174.729 174.600 -0.014 0.000 0.977 379 S CA 0.676 58.885 58.200 0.016 0.000 0.985 379 S CB -1.031 62.187 63.200 0.029 0.000 0.782 379 S HN 0.931 nan 8.310 nan 0.000 0.542 380 V N 1.103 121.024 119.914 0.011 0.000 3.048 380 V HA 0.473 4.592 4.120 -0.000 0.000 0.303 380 V C -0.797 175.307 176.094 0.018 0.000 1.214 380 V CA -0.783 61.515 62.300 -0.003 0.000 0.984 380 V CB 2.393 34.228 31.823 0.019 0.000 1.054 380 V HN 0.438 nan 8.190 nan 0.000 0.430 381 S N 6.423 122.129 115.700 0.009 0.000 2.499 381 S HA 0.676 5.145 4.470 -0.000 0.000 0.275 381 S C -0.303 174.317 174.600 0.032 0.000 1.257 381 S CA -0.592 57.621 58.200 0.022 0.000 1.050 381 S CB 0.425 63.636 63.200 0.018 0.000 0.937 381 S HN 0.628 nan 8.310 nan 0.000 0.490 382 L N 2.000 123.247 121.223 0.041 0.000 2.440 382 L HA 0.626 4.966 4.340 -0.000 0.000 0.262 382 L C -2.158 174.739 176.870 0.044 0.000 1.072 382 L CA -2.625 52.242 54.840 0.046 0.000 0.798 382 L CB -0.397 41.699 42.059 0.062 0.000 1.307 382 L HN 0.360 nan 8.230 nan 0.000 0.475 383 P HA 0.297 nan 4.420 nan 0.000 0.289 383 P C -1.068 176.240 177.300 0.012 0.000 1.299 383 P CA -0.520 62.603 63.100 0.038 0.000 0.766 383 P CB 0.572 32.296 31.700 0.040 0.000 1.226 384 L N 0.604 121.824 121.223 -0.005 0.000 2.282 384 L HA 0.413 4.752 4.340 -0.000 0.000 0.288 384 L C 0.389 177.195 176.870 -0.106 0.000 1.033 384 L CA -0.645 54.170 54.840 -0.042 0.000 0.807 384 L CB 1.060 43.106 42.059 -0.022 0.000 1.209 384 L HN 0.271 nan 8.230 nan 0.000 0.423 385 R N 2.096 122.481 120.500 -0.192 0.000 2.474 385 R HA 0.591 4.930 4.340 -0.000 0.000 0.295 385 R C -0.790 175.315 176.300 -0.324 0.000 0.980 385 R CA -0.539 55.343 56.100 -0.364 0.000 0.934 385 R CB 2.055 31.931 30.300 -0.707 0.000 1.101 385 R HN 0.343 nan 8.270 nan 0.000 0.469 386 V N 3.949 123.669 119.914 -0.324 0.000 2.443 386 V HA 0.787 4.907 4.120 -0.000 0.000 0.293 386 V C -1.352 174.594 176.094 -0.247 0.000 1.021 386 V CA -0.510 61.621 62.300 -0.282 0.000 0.848 386 V CB 1.095 32.747 31.823 -0.285 0.000 0.998 386 V HN 0.852 nan 8.190 nan 0.000 0.424 387 R N 3.060 123.480 120.500 -0.133 0.000 2.846 387 R HA 0.792 5.132 4.340 -0.000 0.000 0.263 387 R C -0.104 176.250 176.300 0.090 0.000 1.080 387 R CA -0.071 56.077 56.100 0.080 0.000 0.961 387 R CB 0.535 30.887 30.300 0.087 0.000 1.231 387 R HN 0.677 nan 8.270 nan 0.000 0.465 388 T N -1.586 112.984 114.554 0.027 0.000 2.899 388 T HA 0.355 4.705 4.350 -0.000 0.000 0.284 388 T C 0.214 174.896 174.700 -0.031 0.000 1.004 388 T CA -0.975 61.044 62.100 -0.136 0.000 1.043 388 T CB 0.618 69.274 68.868 -0.353 0.000 1.013 388 T HN 0.751 nan 8.240 nan 0.000 0.518 389 R N 1.169 121.642 120.500 -0.045 0.000 2.811 389 R HA 0.254 4.594 4.340 -0.000 0.000 0.265 389 R C -0.236 176.058 176.300 -0.010 0.000 1.026 389 R CA -0.509 55.586 56.100 -0.009 0.000 1.142 389 R CB 0.240 30.494 30.300 -0.076 0.000 1.027 389 R HN 0.824 nan 8.270 nan 0.000 0.465 390 R N 0.994 121.505 120.500 0.019 0.000 2.564 390 R HA 0.214 4.554 4.340 -0.000 0.000 0.284 390 R C 0.605 176.918 176.300 0.021 0.000 1.031 390 R CA -0.567 55.549 56.100 0.027 0.000 0.904 390 R CB 1.206 31.543 30.300 0.062 0.000 1.199 390 R HN 0.888 nan 8.270 nan 0.000 0.443 391 R N 1.848 122.353 120.500 0.009 0.000 2.398 391 R HA -0.280 4.059 4.340 -0.000 0.000 0.233 391 R C 0.890 177.198 176.300 0.014 0.000 1.022 391 R CA 2.498 58.602 56.100 0.006 0.000 0.855 391 R CB -0.502 29.802 30.300 0.007 0.000 0.962 391 R HN 0.765 nan 8.270 nan 0.000 0.416 392 G N -0.050 108.765 108.800 0.024 0.000 3.774 392 G HA2 0.057 4.017 3.960 -0.000 0.000 0.287 392 G HA3 0.057 4.017 3.960 -0.000 0.000 0.287 392 G C -0.669 174.252 174.900 0.035 0.000 1.030 392 G CA -0.419 44.697 45.100 0.027 0.000 0.824 392 G HN 0.133 nan 8.290 nan 0.000 0.518 393 D N 1.581 122.007 120.400 0.043 0.000 2.506 393 D HA 0.187 4.827 4.640 -0.000 0.000 0.234 393 D C 0.832 177.158 176.300 0.044 0.000 1.143 393 D CA 0.807 54.837 54.000 0.050 0.000 0.871 393 D CB 0.989 41.827 40.800 0.063 0.000 1.190 393 D HN 0.515 nan 8.370 nan 0.000 0.459 394 R N 0.590 121.113 120.500 0.039 0.000 2.795 394 R HA 0.789 5.129 4.340 -0.000 0.000 0.268 394 R C -0.216 176.096 176.300 0.020 0.000 1.041 394 R CA -0.952 55.163 56.100 0.025 0.000 0.927 394 R CB 1.658 31.971 30.300 0.023 0.000 1.235 394 R HN 0.484 nan 8.270 nan 0.000 0.463 395 M N -1.116 118.484 119.600 0.000 0.000 3.604 395 M HA 0.655 5.135 4.480 -0.000 0.000 0.301 395 M C -1.468 174.802 176.300 -0.049 0.000 1.414 395 M CA -1.091 54.199 55.300 -0.017 0.000 0.860 395 M CB 1.971 34.559 32.600 -0.021 0.000 1.797 395 M HN 0.472 nan 8.290 nan 0.000 0.489 396 V N -0.067 119.783 119.914 -0.107 0.000 2.925 396 V HA 0.750 4.870 4.120 -0.000 0.000 0.311 396 V C -1.214 174.783 176.094 -0.160 0.000 1.104 396 V CA -0.799 61.415 62.300 -0.143 0.000 0.954 396 V CB 1.735 33.426 31.823 -0.219 0.000 1.022 396 V HN 0.855 nan 8.190 nan 0.000 0.427 397 L N 2.434 123.588 121.223 -0.115 0.000 2.307 397 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 397 L C 1.535 178.357 176.870 -0.079 0.000 1.023 397 L CA -0.481 54.310 54.840 -0.081 0.000 0.810 397 L CB 1.345 43.370 42.059 -0.056 0.000 1.231 397 L HN 0.819 nan 8.230 nan 0.000 0.423 398 K N 1.886 122.246 120.400 -0.067 0.000 2.128 398 K HA -0.287 4.033 4.320 -0.000 0.000 0.220 398 K C 1.264 177.829 176.600 -0.059 0.000 1.049 398 K CA 2.313 58.558 56.287 -0.070 0.000 0.948 398 K CB -0.100 32.355 32.500 -0.075 0.000 0.742 398 K HN 0.992 nan 8.250 nan 0.000 0.465 399 G N -1.611 107.160 108.800 -0.048 0.000 2.766 399 G HA2 0.048 4.008 3.960 -0.000 0.000 0.206 399 G HA3 0.048 4.008 3.960 -0.000 0.000 0.206 399 G C 0.892 175.774 174.900 -0.030 0.000 2.072 399 G CA 0.498 45.578 45.100 -0.034 0.000 0.798 399 G HN 0.340 nan 8.290 nan 0.000 0.703 400 T N -0.278 114.261 114.554 -0.025 0.000 3.244 400 T HA 0.399 4.749 4.350 -0.000 0.000 0.186 400 T C 2.074 176.758 174.700 -0.027 0.000 0.768 400 T CA 1.490 63.577 62.100 -0.021 0.000 2.211 400 T CB -0.992 67.867 68.868 -0.015 0.000 2.114 400 T HN 1.363 nan 8.240 nan 0.000 0.420 401 G N 1.138 109.925 108.800 -0.023 0.000 4.328 401 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.222 401 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.222 401 G C 0.990 175.875 174.900 -0.024 0.000 1.366 401 G CA 1.253 46.338 45.100 -0.025 0.000 1.115 401 G HN 1.813 nan 8.290 nan 0.000 0.667 402 G N -2.430 106.352 108.800 -0.031 0.000 2.460 402 G HA2 0.376 4.335 3.960 -0.000 0.000 0.207 402 G HA3 0.376 4.335 3.960 -0.000 0.000 0.207 402 G C -0.149 174.731 174.900 -0.034 0.000 1.170 402 G CA 0.494 45.578 45.100 -0.027 0.000 1.151 402 G HN 1.817 nan 8.290 nan 0.000 0.575 403 T N 1.063 115.604 114.554 -0.022 0.000 2.824 403 T HA 0.672 5.022 4.350 -0.000 0.000 0.280 403 T C -0.145 174.546 174.700 -0.016 0.000 0.995 403 T CA -0.175 61.914 62.100 -0.020 0.000 1.009 403 T CB 2.052 70.918 68.868 -0.004 0.000 0.955 403 T HN 0.734 nan 8.240 nan 0.000 0.452 404 K N 1.674 122.063 120.400 -0.019 0.000 2.502 404 K HA 0.393 4.712 4.320 -0.000 0.000 0.257 404 K C -0.978 175.617 176.600 -0.009 0.000 0.938 404 K CA -0.866 55.411 56.287 -0.016 0.000 0.819 404 K CB 2.150 34.634 32.500 -0.027 0.000 1.333 404 K HN 0.431 nan 8.250 nan 0.000 0.434 405 K N 2.480 122.880 120.400 -0.000 0.000 2.326 405 K HA 0.051 4.371 4.320 -0.000 0.000 0.275 405 K C 1.168 177.778 176.600 0.017 0.000 1.018 405 K CA -0.416 55.880 56.287 0.014 0.000 0.962 405 K CB 0.624 33.136 32.500 0.020 0.000 0.953 405 K HN 0.381 nan 8.250 nan 0.000 0.475 406 L N 3.917 125.165 121.223 0.042 0.000 1.989 406 L HA -0.257 4.082 4.340 -0.000 0.000 0.211 406 L C 2.411 179.378 176.870 0.162 0.000 1.071 406 L CA 1.808 56.692 54.840 0.073 0.000 0.749 406 L CB -0.745 41.410 42.059 0.159 0.000 0.890 406 L HN 0.717 nan 8.230 nan 0.000 0.431 407 K N 0.328 120.827 120.400 0.166 0.000 2.052 407 K HA -0.315 4.004 4.320 -0.000 0.000 0.215 407 K C 1.954 178.624 176.600 0.117 0.000 1.053 407 K CA 2.421 58.798 56.287 0.150 0.000 0.934 407 K CB -0.593 31.942 32.500 0.059 0.000 0.717 407 K HN 0.454 nan 8.250 nan 0.000 0.450 408 E N 0.164 120.397 120.200 0.055 0.000 2.171 408 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 408 E C 2.180 178.782 176.600 0.003 0.000 0.997 408 E CA 1.356 57.769 56.400 0.023 0.000 0.810 408 E CB -0.009 29.693 29.700 0.004 0.000 0.738 408 E HN 0.426 nan 8.360 nan 0.000 0.467 409 I N -0.306 120.244 120.570 -0.032 0.000 2.162 409 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 409 I C 1.884 177.903 176.117 -0.163 0.000 1.076 409 I CA 0.920 62.136 61.300 -0.141 0.000 1.353 409 I CB -0.513 37.315 38.000 -0.286 0.000 1.063 409 I HN 0.138 nan 8.210 nan 0.000 0.408 410 F N 1.440 121.302 119.950 -0.147 0.000 2.141 410 F HA -0.281 4.245 4.527 -0.001 0.000 0.300 410 F C 2.360 178.088 175.800 -0.120 0.000 1.079 410 F CA 1.630 59.510 58.000 -0.201 0.000 1.264 410 F CB -0.549 38.327 39.000 -0.206 0.000 1.011 410 F HN 0.064 nan 8.300 nan 0.000 0.487 411 I N -0.962 119.680 120.570 0.120 0.000 2.584 411 I HA -0.133 4.037 4.170 -0.000 0.000 0.255 411 I C 1.959 178.117 176.117 0.069 0.000 1.145 411 I CA 0.957 62.321 61.300 0.107 0.000 1.462 411 I CB -0.601 37.447 38.000 0.078 0.000 1.102 411 I HN 0.131 nan 8.210 nan 0.000 0.433 412 E N 1.875 122.085 120.200 0.016 0.000 2.072 412 E HA -0.070 4.279 4.350 -0.000 0.000 0.190 412 E C 1.988 178.573 176.600 -0.026 0.000 0.982 412 E CA 1.137 57.535 56.400 -0.004 0.000 0.803 412 E CB -0.115 29.568 29.700 -0.027 0.000 0.755 412 E HN 0.477 nan 8.360 nan 0.000 0.453 413 A N 1.409 124.186 122.820 -0.072 0.000 2.291 413 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 413 A C 0.052 177.560 177.584 -0.125 0.000 1.262 413 A CA -0.084 51.888 52.037 -0.109 0.000 0.867 413 A CB -0.602 18.288 19.000 -0.183 0.000 0.888 413 A HN 0.114 nan 8.150 nan 0.000 0.487 414 K N 0.201 120.562 120.400 -0.065 0.000 3.679 414 K HA -0.191 4.129 4.320 -0.000 0.000 0.274 414 K C -0.565 175.732 176.600 -0.505 0.000 0.839 414 K CA 0.691 56.889 56.287 -0.147 0.000 0.663 414 K CB -1.489 30.956 32.500 -0.093 0.000 1.638 414 K HN 0.625 nan 8.250 nan 0.000 0.443 415 I N 0.978 121.396 120.570 -0.252 0.000 2.396 415 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 415 I C -1.788 174.267 176.117 -0.104 0.000 0.999 415 I CA -2.769 58.388 61.300 -0.238 0.000 1.310 415 I CB 0.921 38.819 38.000 -0.170 0.000 1.404 415 I HN -0.070 nan 8.210 nan 0.000 0.496 416 P HA 0.045 nan 4.420 nan 0.000 0.267 416 P C 0.107 177.445 177.300 0.063 0.000 1.201 416 P CA -0.096 63.058 63.100 0.090 0.000 0.775 416 P CB 0.642 32.376 31.700 0.055 0.000 0.854 417 R N 1.570 122.113 120.500 0.072 0.000 2.064 417 R HA 0.039 4.378 4.340 -0.000 0.000 0.228 417 R C 2.271 178.547 176.300 -0.040 0.000 1.144 417 R CA 1.844 57.938 56.100 -0.010 0.000 0.932 417 R CB -1.262 29.031 30.300 -0.012 0.000 0.833 417 R HN 0.501 nan 8.270 nan 0.000 0.429 418 M N 0.883 120.478 119.600 -0.009 0.000 2.252 418 M HA -0.253 4.227 4.480 -0.000 0.000 0.257 418 M C 1.626 177.927 176.300 0.002 0.000 1.077 418 M CA 1.467 56.760 55.300 -0.010 0.000 1.066 418 M CB -0.276 32.331 32.600 0.011 0.000 1.380 418 M HN 0.144 nan 8.290 nan 0.000 0.412 419 E N 0.232 120.452 120.200 0.032 0.000 2.015 419 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 419 E C 1.963 178.618 176.600 0.090 0.000 0.991 419 E CA 1.056 57.530 56.400 0.124 0.000 0.802 419 E CB -0.396 29.394 29.700 0.150 0.000 0.759 419 E HN 0.545 nan 8.360 nan 0.000 0.447 420 R N 1.224 121.643 120.500 -0.136 0.000 2.140 420 R HA -0.186 4.154 4.340 -0.000 0.000 0.250 420 R C 1.742 177.812 176.300 -0.384 0.000 1.150 420 R CA 1.535 57.313 56.100 -0.538 0.000 0.966 420 R CB -0.758 29.126 30.300 -0.692 0.000 0.869 420 R HN 0.252 nan 8.270 nan 0.000 0.445 421 D N 0.610 120.876 120.400 -0.223 0.000 2.077 421 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 421 D C 1.946 178.133 176.300 -0.189 0.000 0.986 421 D CA 1.121 55.004 54.000 -0.195 0.000 0.829 421 D CB -0.316 40.395 40.800 -0.148 0.000 0.983 421 D HN 0.181 nan 8.370 nan 0.000 0.453 422 R N -0.597 119.830 120.500 -0.121 0.000 2.339 422 R HA -0.010 4.329 4.340 -0.000 0.000 0.199 422 R C 0.757 177.016 176.300 -0.069 0.000 1.018 422 R CA -0.145 55.855 56.100 -0.167 0.000 1.036 422 R CB 0.062 30.331 30.300 -0.053 0.000 0.899 422 R HN 0.266 nan 8.270 nan 0.000 0.473 423 W N 3.375 124.582 121.300 -0.155 0.000 2.210 423 W HA 0.077 4.737 4.660 -0.000 0.000 0.330 423 W C -2.325 174.162 176.519 -0.053 0.000 1.334 423 W CA -1.803 55.524 57.345 -0.031 0.000 1.227 423 W CB 0.730 30.260 29.460 0.116 0.000 1.178 423 W HN -0.079 nan 8.180 nan 0.000 0.560 424 P HA 0.308 nan 4.420 nan 0.000 0.290 424 P C -0.933 176.263 177.300 -0.173 0.000 1.276 424 P CA -0.115 62.879 63.100 -0.178 0.000 0.808 424 P CB 1.792 33.208 31.700 -0.473 0.000 0.966 425 I N 2.398 122.900 120.570 -0.115 0.000 2.750 425 I HA 0.367 4.536 4.170 -0.000 0.000 0.308 425 I C -0.068 175.896 176.117 -0.254 0.000 1.016 425 I CA -0.957 60.246 61.300 -0.162 0.000 1.098 425 I CB 2.162 40.137 38.000 -0.042 0.000 1.279 425 I HN 0.045 nan 8.210 nan 0.000 0.454 426 V N 4.283 124.025 119.914 -0.287 0.000 2.376 426 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 426 V C -0.340 175.661 176.094 -0.154 0.000 1.015 426 V CA -0.556 61.598 62.300 -0.243 0.000 0.834 426 V CB 1.311 32.981 31.823 -0.256 0.000 1.001 426 V HN 0.841 nan 8.190 nan 0.000 0.428 427 E N 3.617 123.733 120.200 -0.140 0.000 2.264 427 E HA 0.624 4.974 4.350 -0.000 0.000 0.260 427 E C -1.234 175.326 176.600 -0.066 0.000 0.961 427 E CA -0.953 55.399 56.400 -0.080 0.000 0.834 427 E CB 1.960 31.617 29.700 -0.072 0.000 1.230 427 E HN 0.582 nan 8.360 nan 0.000 0.412 428 D N 0.349 120.741 120.400 -0.012 0.000 2.432 428 D HA 0.202 4.841 4.640 -0.000 0.000 0.258 428 D C 0.974 177.275 176.300 0.003 0.000 1.146 428 D CA -0.188 53.812 54.000 0.001 0.000 1.015 428 D CB 1.023 41.838 40.800 0.025 0.000 1.107 428 D HN 0.518 nan 8.370 nan 0.000 0.529 429 A N 0.473 123.304 122.820 0.018 0.000 1.940 429 A HA -0.264 4.055 4.320 -0.000 0.000 0.221 429 A C 1.482 179.104 177.584 0.062 0.000 1.190 429 A CA 2.062 54.126 52.037 0.044 0.000 0.647 429 A CB -0.771 18.258 19.000 0.049 0.000 0.821 429 A HN 0.612 nan 8.150 nan 0.000 0.457 430 D N -1.464 118.964 120.400 0.048 0.000 2.378 430 D HA 0.243 4.883 4.640 -0.000 0.000 0.227 430 D C 1.461 177.801 176.300 0.068 0.000 1.012 430 D CA 1.186 55.218 54.000 0.053 0.000 0.905 430 D CB -0.210 40.610 40.800 0.033 0.000 0.895 430 D HN 0.708 nan 8.370 nan 0.000 0.532 431 G N 0.867 109.707 108.800 0.067 0.000 2.179 431 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.260 431 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.260 431 G C 0.493 175.435 174.900 0.070 0.000 0.977 431 G CA -0.304 44.842 45.100 0.077 0.000 0.641 431 G HN 0.302 nan 8.290 nan 0.000 0.533 432 R N 0.559 121.105 120.500 0.078 0.000 2.449 432 R HA 0.308 4.648 4.340 -0.000 0.000 0.296 432 R C 1.031 177.394 176.300 0.104 0.000 1.047 432 R CA -0.047 56.124 56.100 0.118 0.000 1.018 432 R CB 0.178 30.573 30.300 0.159 0.000 0.962 432 R HN 0.399 nan 8.270 nan 0.000 0.428 433 I N 5.555 126.182 120.570 0.095 0.000 2.496 433 I HA -0.051 4.119 4.170 -0.000 0.000 0.285 433 I C 1.244 177.409 176.117 0.079 0.000 1.080 433 I CA 0.094 61.423 61.300 0.048 0.000 1.404 433 I CB 0.789 38.803 38.000 0.023 0.000 1.403 433 I HN 0.595 nan 8.210 nan 0.000 0.539 434 L N 5.277 126.513 121.223 0.021 0.000 2.445 434 L HA 0.238 4.578 4.340 -0.000 0.000 0.207 434 L C -0.245 176.599 176.870 -0.044 0.000 1.053 434 L CA 0.308 55.163 54.840 0.025 0.000 0.841 434 L CB 0.319 42.323 42.059 -0.092 0.000 1.074 434 L HN 0.696 nan 8.230 nan 0.000 0.479 435 W N -0.305 120.769 121.300 -0.376 0.000 4.020 435 W HA 0.476 5.136 4.660 -0.001 0.000 0.293 435 W C -2.269 174.121 176.519 -0.215 0.000 1.236 435 W CA -1.260 55.866 57.345 -0.365 0.000 1.265 435 W CB 0.748 29.628 29.460 -0.966 0.000 1.248 435 W HN -0.384 nan 8.180 nan 0.000 0.501 436 V N 7.226 126.867 119.914 -0.455 0.000 2.277 436 V HA 0.328 4.448 4.120 -0.000 0.000 0.269 436 V C -1.843 173.896 176.094 -0.592 0.000 1.036 436 V CA -1.933 60.045 62.300 -0.537 0.000 0.821 436 V CB 0.685 32.390 31.823 -0.196 0.000 1.052 436 V HN 0.384 nan 8.190 nan 0.000 0.462 437 P HA -0.114 nan 4.420 nan 0.000 0.258 437 P C 1.190 178.659 177.300 0.283 0.000 1.128 437 P CA 1.922 64.654 63.100 -0.614 0.000 0.760 437 P CB 0.120 30.914 31.700 -1.510 0.000 0.715 438 G N 2.217 111.341 108.800 0.541 0.000 2.233 438 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.270 438 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.270 438 G C 0.475 175.581 174.900 0.344 0.000 1.011 438 G CA 0.533 45.908 45.100 0.459 0.000 0.762 438 G HN 0.542 nan 8.290 nan 0.000 0.511 439 L N -2.883 118.487 121.223 0.245 0.000 2.598 439 L HA 0.513 4.853 4.340 -0.000 0.000 0.205 439 L C 0.614 177.490 176.870 0.009 0.000 1.054 439 L CA 0.485 55.358 54.840 0.054 0.000 0.934 439 L CB 0.763 42.766 42.059 -0.094 0.000 1.704 439 L HN 0.100 nan 8.230 nan 0.000 0.491 440 K N 0.288 120.727 120.400 0.065 0.000 2.589 440 K HA 0.376 4.695 4.320 -0.000 0.000 0.265 440 K C -1.721 175.007 176.600 0.214 0.000 0.935 440 K CA -0.386 55.942 56.287 0.068 0.000 0.850 440 K CB 1.928 34.409 32.500 -0.031 0.000 1.372 440 K HN -0.204 nan 8.250 nan 0.000 0.420 441 K N 1.312 121.827 120.400 0.191 0.000 2.164 441 K HA 0.438 4.758 4.320 -0.000 0.000 0.258 441 K C 0.176 176.882 176.600 0.176 0.000 0.951 441 K CA -0.751 55.719 56.287 0.305 0.000 0.844 441 K CB 1.657 34.229 32.500 0.121 0.000 1.099 441 K HN 0.809 nan 8.250 nan 0.000 0.435 442 S N 1.199 117.053 115.700 0.257 0.000 2.534 442 S HA 0.048 4.518 4.470 -0.000 0.000 0.241 442 S C 1.009 175.568 174.600 -0.069 0.000 1.334 442 S CA 0.299 58.527 58.200 0.046 0.000 0.978 442 S CB 0.172 63.406 63.200 0.056 0.000 0.925 442 S HN 0.663 nan 8.310 nan 0.000 0.522 443 A N -1.122 121.515 122.820 -0.305 0.000 2.469 443 A HA 0.498 4.817 4.320 -0.000 0.000 0.245 443 A C 0.873 178.385 177.584 -0.120 0.000 1.221 443 A CA -0.513 51.361 52.037 -0.271 0.000 0.946 443 A CB -0.288 18.487 19.000 -0.374 0.000 1.049 443 A HN 0.665 nan 8.150 nan 0.000 0.529 444 F N 0.753 120.788 119.950 0.141 0.000 2.668 444 F HA 0.227 4.754 4.527 -0.000 0.000 0.297 444 F C 0.794 176.703 175.800 0.180 0.000 1.124 444 F CA -0.416 57.674 58.000 0.150 0.000 1.353 444 F CB 0.289 39.387 39.000 0.164 0.000 0.992 444 F HN 0.229 nan 8.300 nan 0.000 0.524 445 E N 2.221 122.520 120.200 0.164 0.000 2.351 445 E HA 0.278 4.628 4.350 -0.000 0.000 0.266 445 E C 0.103 176.662 176.600 -0.068 0.000 1.031 445 E CA -0.493 55.756 56.400 -0.252 0.000 0.911 445 E CB 0.818 30.074 29.700 -0.740 0.000 0.986 445 E HN 0.285 nan 8.360 nan 0.000 0.446 446 A N 5.632 128.434 122.820 -0.030 0.000 2.505 446 A HA -0.017 4.302 4.320 -0.000 0.000 0.271 446 A C 0.375 177.991 177.584 0.053 0.000 1.112 446 A CA -0.088 51.978 52.037 0.049 0.000 0.781 446 A CB -0.112 18.928 19.000 0.066 0.000 1.059 446 A HN 0.727 nan 8.150 nan 0.000 0.508 447 Q N 2.098 121.971 119.800 0.122 0.000 2.526 447 Q HA 0.105 4.444 4.340 -0.000 0.000 0.207 447 Q C 0.498 176.660 176.000 0.271 0.000 1.078 447 Q CA -0.320 55.572 55.803 0.149 0.000 1.041 447 Q CB 0.274 29.060 28.738 0.080 0.000 1.228 447 Q HN 0.598 nan 8.270 nan 0.000 0.603 448 N N -0.416 118.344 118.700 0.099 0.000 2.626 448 N HA -0.112 4.628 4.740 -0.000 0.000 0.193 448 N C 1.296 176.931 175.510 0.208 0.000 1.213 448 N CA 0.408 53.474 53.050 0.026 0.000 0.914 448 N CB -0.188 38.013 38.487 -0.475 0.000 0.994 448 N HN 0.700 nan 8.380 nan 0.000 0.447 449 R N -0.976 119.650 120.500 0.210 0.000 2.261 449 R HA -0.188 4.152 4.340 -0.000 0.000 0.252 449 R C 0.387 176.784 176.300 0.162 0.000 1.116 449 R CA 1.992 58.190 56.100 0.164 0.000 0.942 449 R CB -0.511 29.887 30.300 0.163 0.000 0.932 449 R HN 0.304 nan 8.270 nan 0.000 0.441 450 G N -2.346 106.596 108.800 0.236 0.000 2.755 450 G HA2 0.160 4.120 3.960 -0.000 0.000 0.297 450 G HA3 0.160 4.120 3.960 -0.000 0.000 0.297 450 G C -1.272 173.725 174.900 0.161 0.000 1.441 450 G CA -0.698 44.497 45.100 0.158 0.000 0.964 450 G HN 0.233 nan 8.290 nan 0.000 0.540 451 Q N 0.948 120.828 119.800 0.133 0.000 2.271 451 Q HA 0.192 4.532 4.340 -0.000 0.000 0.206 451 Q C 1.614 177.533 176.000 -0.135 0.000 0.860 451 Q CA 0.258 56.115 55.803 0.089 0.000 0.991 451 Q CB 0.077 28.904 28.738 0.150 0.000 1.232 451 Q HN 0.665 nan 8.270 nan 0.000 0.410 452 A N 1.634 124.290 122.820 -0.274 0.000 3.297 452 A HA 0.004 4.324 4.320 -0.000 0.000 0.150 452 A C 0.782 178.108 177.584 -0.431 0.000 0.871 452 A CA 0.676 52.527 52.037 -0.311 0.000 1.148 452 A CB 0.161 18.998 19.000 -0.273 0.000 0.882 452 A HN 0.401 nan 8.150 nan 0.000 0.534 453 R N -2.073 118.137 120.500 -0.485 0.000 2.740 453 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 453 R C -2.154 173.913 176.300 -0.389 0.000 0.969 453 R CA -0.428 55.459 56.100 -0.354 0.000 0.918 453 R CB 1.193 31.383 30.300 -0.183 0.000 1.175 453 R HN 0.603 nan 8.270 nan 0.000 0.464 454 Y N 2.165 122.509 120.300 0.074 0.000 2.545 454 Y HA 0.500 5.050 4.550 -0.000 0.000 0.348 454 Y C -0.091 175.878 175.900 0.115 0.000 1.002 454 Y CA -0.967 57.159 58.100 0.043 0.000 1.039 454 Y CB 1.779 40.182 38.460 -0.094 0.000 1.271 454 Y HN 0.382 nan 8.280 nan 0.000 0.467 455 I N 3.717 124.432 120.570 0.243 0.000 2.493 455 I HA 0.418 4.588 4.170 -0.000 0.000 0.298 455 I C -1.116 175.001 176.117 -0.001 0.000 0.998 455 I CA -0.912 60.418 61.300 0.051 0.000 1.137 455 I CB 1.915 39.935 38.000 0.034 0.000 1.310 455 I HN 0.234 nan 8.210 nan 0.000 0.445 456 L N 6.656 127.841 121.223 -0.063 0.000 2.381 456 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 456 L C -1.550 175.315 176.870 -0.008 0.000 0.988 456 L CA -0.639 54.179 54.840 -0.036 0.000 0.824 456 L CB 1.901 43.922 42.059 -0.065 0.000 1.263 456 L HN 0.450 nan 8.230 nan 0.000 0.410 457 L N 5.080 126.326 121.223 0.040 0.000 2.319 457 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 457 L C -0.212 176.729 176.870 0.118 0.000 1.005 457 L CA -0.386 54.501 54.840 0.079 0.000 0.828 457 L CB 1.820 43.937 42.059 0.096 0.000 1.227 457 L HN 0.597 nan 8.230 nan 0.000 0.415 458 Q N 3.682 123.592 119.800 0.183 0.000 2.325 458 Q HA 0.311 4.651 4.340 -0.000 0.000 0.262 458 Q C -1.093 175.116 176.000 0.347 0.000 0.968 458 Q CA -0.410 55.532 55.803 0.232 0.000 0.877 458 Q CB 2.747 31.559 28.738 0.124 0.000 1.253 458 Q HN 0.527 nan 8.270 nan 0.000 0.448 459 Y N 2.681 123.151 120.300 0.284 0.000 2.326 459 Y HA 0.319 4.869 4.550 -0.001 0.000 0.337 459 Y C -0.270 175.642 175.900 0.021 0.000 1.023 459 Y CA -0.166 58.046 58.100 0.188 0.000 1.143 459 Y CB 1.114 39.739 38.460 0.275 0.000 1.183 459 Y HN 0.606 nan 8.280 nan 0.000 0.485 460 Q N 4.693 124.343 119.800 -0.250 0.000 2.590 460 Q HA 0.669 5.008 4.340 -0.000 0.000 0.295 460 Q C -1.599 174.088 176.000 -0.522 0.000 0.973 460 Q CA -0.687 54.876 55.803 -0.400 0.000 0.768 460 Q CB 2.106 30.754 28.738 -0.149 0.000 1.479 460 Q HN 0.838 nan 8.270 nan 0.000 0.419 461 A N 0.861 123.364 122.820 -0.528 0.000 2.710 461 A HA 0.723 5.042 4.320 -0.000 0.000 0.253 461 A C -0.507 177.028 177.584 -0.082 0.000 1.658 461 A CA -0.255 51.540 52.037 -0.403 0.000 0.851 461 A CB 0.380 19.147 19.000 -0.387 0.000 1.658 461 A HN 0.663 nan 8.150 nan 0.000 0.585 462 M N 0.000 119.607 119.600 0.011 0.000 2.572 462 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 462 M CA 0.000 55.314 55.300 0.024 0.000 0.988 462 M CB 0.000 32.634 32.600 0.057 0.000 1.302 462 M HN 0.000 nan 8.290 nan 0.000 0.411