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 3g8e_1_A DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKEVYR EHFQDDVFNE RGWNYILEKY DATA SEQUENCE DGHLPIEVKA VPEGSVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGIALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTEAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLDIL GKKFPVSENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKKWSIENV SFGSGGALLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGVNVFKDPV ADPNKRSKKG RLSLHRTPAG TFVTLEEGKG DLEEYGHDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEVRK NAQLN 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.823 175.800 0.039 0.000 0.967 9 F CA 0.000 58.028 58.000 0.047 0.000 1.383 9 F CB 0.000 39.064 39.000 0.107 0.000 1.145 10 N N 1.247 119.538 118.700 -0.681 0.000 4.961 10 N HA 0.106 4.839 4.740 -0.012 0.000 0.150 10 N C -0.190 174.833 175.510 -0.810 0.000 1.269 10 N CA 0.048 52.754 53.050 -0.573 0.000 0.971 10 N CB 0.473 38.751 38.487 -0.349 0.000 1.663 10 N HN 0.326 nan 8.380 nan 0.000 0.929 11 I N 2.019 122.325 120.570 -0.440 0.000 2.567 11 I HA -0.151 4.012 4.170 -0.012 0.000 0.257 11 I C 2.162 178.348 176.117 0.115 0.000 1.184 11 I CA 0.787 62.023 61.300 -0.106 0.000 1.451 11 I CB -0.315 37.783 38.000 0.163 0.000 1.089 11 I HN 0.554 nan 8.210 nan 0.000 0.441 12 L N 0.278 121.435 121.223 -0.111 0.000 2.450 12 L HA -0.142 4.191 4.340 -0.012 0.000 0.224 12 L C 1.017 178.210 176.870 0.539 0.000 1.149 12 L CA 0.948 55.826 54.840 0.064 0.000 0.816 12 L CB -0.344 41.540 42.059 -0.292 0.000 0.932 12 L HN 0.292 nan 8.230 nan 0.000 0.449 13 L N -2.984 118.365 121.223 0.210 0.000 3.431 13 L HA 0.413 4.746 4.340 -0.012 0.000 0.316 13 L C 0.731 177.647 176.870 0.075 0.000 1.305 13 L CA 0.124 55.099 54.840 0.225 0.000 0.995 13 L CB 0.088 42.077 42.059 -0.116 0.000 1.411 13 L HN -0.117 nan 8.230 nan 0.000 0.610 14 A N -0.727 122.146 122.820 0.088 0.000 2.708 14 A HA 0.660 4.973 4.320 -0.012 0.000 0.293 14 A C 0.454 178.091 177.584 0.088 0.000 1.303 14 A CA 0.102 52.181 52.037 0.071 0.000 0.949 14 A CB -0.000 19.046 19.000 0.077 0.000 1.121 14 A HN 0.277 nan 8.150 nan 0.000 0.542 15 T N -1.005 113.562 114.554 0.021 0.000 2.865 15 T HA 0.437 4.779 4.350 -0.012 0.000 0.294 15 T C -1.655 172.996 174.700 -0.082 0.000 1.119 15 T CA -0.518 61.482 62.100 -0.167 0.000 1.007 15 T CB 1.075 69.526 68.868 -0.694 0.000 1.225 15 T HN 0.206 nan 8.240 nan 0.000 0.515 16 D N 2.140 122.503 120.400 -0.062 0.000 2.338 16 D HA 0.319 4.952 4.640 -0.012 0.000 0.255 16 D C 1.291 177.665 176.300 0.124 0.000 1.237 16 D CA 0.179 54.244 54.000 0.109 0.000 0.883 16 D CB 0.812 41.799 40.800 0.312 0.000 1.087 16 D HN 0.429 nan 8.370 nan 0.000 0.485 17 S N 1.996 117.788 115.700 0.153 0.000 2.457 17 S HA -0.359 4.104 4.470 -0.012 0.000 0.269 17 S C 1.697 176.426 174.600 0.216 0.000 1.139 17 S CA 1.813 60.106 58.200 0.156 0.000 1.176 17 S CB -0.810 62.431 63.200 0.068 0.000 1.088 17 S HN 0.829 nan 8.310 nan 0.000 0.443 18 Y N 0.731 121.005 120.300 -0.043 0.000 2.751 18 Y HA 0.184 4.730 4.550 -0.006 0.000 0.310 18 Y C 1.671 177.271 175.900 -0.500 0.000 1.176 18 Y CA 0.394 58.453 58.100 -0.068 0.000 1.360 18 Y CB -0.201 38.249 38.460 -0.016 0.000 0.999 18 Y HN 0.069 nan 8.280 nan 0.000 0.532 19 K N 0.057 120.000 120.400 -0.763 0.000 2.308 19 K HA 0.094 4.406 4.320 -0.012 0.000 0.197 19 K C 1.671 177.937 176.600 -0.556 0.000 1.049 19 K CA 0.533 56.123 56.287 -1.161 0.000 0.991 19 K CB 0.157 32.138 32.500 -0.865 0.000 0.836 19 K HN 0.241 nan 8.250 nan 0.000 0.500 20 V N 1.559 121.241 119.914 -0.387 0.000 2.660 20 V HA -0.283 3.830 4.120 -0.012 0.000 0.257 20 V C 2.146 178.240 176.094 0.000 0.000 1.088 20 V CA 2.349 64.588 62.300 -0.102 0.000 1.106 20 V CB -1.054 30.663 31.823 -0.175 0.000 0.686 20 V HN 0.572 nan 8.190 nan 0.000 0.481 21 T N -3.757 110.685 114.554 -0.187 0.000 3.044 21 T HA -0.069 4.273 4.350 -0.012 0.000 0.255 21 T C 1.729 176.390 174.700 -0.064 0.000 1.073 21 T CA 0.450 62.455 62.100 -0.158 0.000 1.125 21 T CB -0.346 68.396 68.868 -0.209 0.000 0.908 21 T HN 0.460 nan 8.240 nan 0.000 0.480 22 H N 1.482 120.490 119.070 -0.103 0.000 2.460 22 H HA -0.090 4.458 4.556 -0.013 0.000 0.297 22 H C 1.817 177.091 175.328 -0.089 0.000 1.103 22 H CA 1.419 57.366 56.048 -0.167 0.000 1.292 22 H CB -1.084 28.574 29.762 -0.173 0.000 1.376 22 H HN 0.841 nan 8.280 nan 0.000 0.531 23 Y N 1.598 121.986 120.300 0.147 0.000 2.716 23 Y HA -0.066 4.477 4.550 -0.012 0.000 0.302 23 Y C 0.900 176.924 175.900 0.208 0.000 1.160 23 Y CA 0.599 58.827 58.100 0.214 0.000 1.362 23 Y CB -0.151 38.235 38.460 -0.124 0.000 0.988 23 Y HN 0.066 nan 8.280 nan 0.000 0.546 24 K N 0.140 120.258 120.400 -0.470 0.000 2.413 24 K HA 0.185 4.498 4.320 -0.012 0.000 0.204 24 K C 0.654 177.130 176.600 -0.207 0.000 1.041 24 K CA 0.129 56.154 56.287 -0.435 0.000 1.082 24 K CB 0.382 32.488 32.500 -0.657 0.000 0.871 24 K HN 0.459 nan 8.250 nan 0.000 0.535 25 Q N -0.224 119.461 119.800 -0.190 0.000 2.246 25 Q HA 0.158 4.491 4.340 -0.012 0.000 0.222 25 Q C -0.260 175.633 176.000 -0.179 0.000 0.851 25 Q CA -0.210 55.474 55.803 -0.197 0.000 0.945 25 Q CB 0.250 28.837 28.738 -0.250 0.000 1.122 25 Q HN 0.243 nan 8.270 nan 0.000 0.508 26 Y N 3.612 123.941 120.300 0.048 0.000 2.480 26 Y HA 0.061 4.604 4.550 -0.011 0.000 0.338 26 Y C -1.486 174.397 175.900 -0.027 0.000 1.220 26 Y CA -1.920 56.209 58.100 0.049 0.000 1.430 26 Y CB 0.222 38.778 38.460 0.160 0.000 1.311 26 Y HN 0.075 nan 8.280 nan 0.000 0.575 27 P HA 0.013 nan 4.420 nan 0.000 0.271 27 P C -2.700 174.594 177.300 -0.010 0.000 1.233 27 P CA -0.989 62.136 63.100 0.041 0.000 0.795 27 P CB 0.094 31.810 31.700 0.025 0.000 0.936 28 P HA 0.212 nan 4.420 nan 0.000 0.279 28 P C -0.089 177.150 177.300 -0.102 0.000 1.252 28 P CA -0.005 63.050 63.100 -0.076 0.000 0.811 28 P CB 0.226 31.897 31.700 -0.049 0.000 1.035 29 N N -1.470 117.149 118.700 -0.135 0.000 2.776 29 N HA -0.120 4.613 4.740 -0.012 0.000 0.249 29 N C -0.781 174.637 175.510 -0.153 0.000 1.111 29 N CA 0.991 53.967 53.050 -0.123 0.000 0.711 29 N CB -1.696 36.746 38.487 -0.076 0.000 1.065 29 N HN 0.347 nan 8.380 nan 0.000 0.556 30 T N -0.244 114.161 114.554 -0.248 0.000 2.799 30 T HA 0.409 4.752 4.350 -0.012 0.000 0.286 30 T C 1.278 175.805 174.700 -0.287 0.000 0.973 30 T CA 0.210 62.151 62.100 -0.266 0.000 1.035 30 T CB 1.207 69.885 68.868 -0.316 0.000 0.932 30 T HN 0.287 nan 8.240 nan 0.000 0.469 31 S N 2.842 118.450 115.700 -0.155 0.000 2.559 31 S HA 0.341 4.804 4.470 -0.012 0.000 0.226 31 S C 0.310 174.901 174.600 -0.014 0.000 1.030 31 S CA -0.417 57.742 58.200 -0.069 0.000 0.956 31 S CB 0.260 63.434 63.200 -0.044 0.000 0.900 31 S HN 0.513 nan 8.310 nan 0.000 0.510 32 K N 0.831 121.198 120.400 -0.054 0.000 2.535 32 K HA 0.597 4.910 4.320 -0.012 0.000 0.251 32 K C -1.988 174.589 176.600 -0.039 0.000 0.942 32 K CA -0.588 55.689 56.287 -0.016 0.000 0.798 32 K CB 2.530 35.024 32.500 -0.009 0.000 1.267 32 K HN 0.133 nan 8.250 nan 0.000 0.434 33 V N 5.421 125.353 119.914 0.030 0.000 2.482 33 V HA 0.553 4.666 4.120 -0.012 0.000 0.295 33 V C -2.049 174.172 176.094 0.212 0.000 1.026 33 V CA -0.404 61.930 62.300 0.057 0.000 0.856 33 V CB 1.129 32.907 31.823 -0.074 0.000 1.001 33 V HN 0.800 nan 8.190 nan 0.000 0.424 34 Y N 5.408 125.785 120.300 0.128 0.000 2.328 34 Y HA 0.786 5.328 4.550 -0.012 0.000 0.336 34 Y C -0.059 175.940 175.900 0.167 0.000 0.960 34 Y CA -0.133 58.075 58.100 0.179 0.000 1.134 34 Y CB 1.894 40.512 38.460 0.262 0.000 1.166 34 Y HN 0.714 nan 8.280 nan 0.000 0.464 35 S N 5.854 121.518 115.700 -0.059 0.000 2.578 35 S HA 0.512 4.975 4.470 -0.012 0.000 0.301 35 S C -1.459 172.844 174.600 -0.495 0.000 1.091 35 S CA -0.606 57.464 58.200 -0.217 0.000 1.032 35 S CB 1.075 64.183 63.200 -0.152 0.000 1.064 35 S HN 0.727 nan 8.310 nan 0.000 0.508 36 Y N 0.162 120.017 120.300 -0.743 0.000 2.605 36 Y HA 0.832 5.376 4.550 -0.011 0.000 0.343 36 Y C -1.408 174.063 175.900 -0.715 0.000 1.036 36 Y CA -1.561 56.179 58.100 -0.598 0.000 1.065 36 Y CB 0.921 39.182 38.460 -0.332 0.000 1.288 36 Y HN 0.555 nan 8.280 nan 0.000 0.481 37 F N 2.232 121.642 119.950 -0.900 0.000 2.522 37 F HA 0.689 5.209 4.527 -0.012 0.000 0.324 37 F C -0.755 174.688 175.800 -0.596 0.000 1.077 37 F CA -0.321 57.116 58.000 -0.937 0.000 0.944 37 F CB 1.719 39.711 39.000 -1.681 0.000 1.175 37 F HN 0.880 nan 8.300 nan 0.000 0.468 38 E N 2.246 121.721 120.200 -1.208 0.000 2.435 38 E HA 0.406 4.749 4.350 -0.012 0.000 0.277 38 E C -2.018 174.230 176.600 -0.586 0.000 1.106 38 E CA -1.069 54.976 56.400 -0.592 0.000 0.868 38 E CB 1.323 30.886 29.700 -0.229 0.000 1.454 38 E HN 0.532 nan 8.360 nan 0.000 0.452 39 C N 1.721 120.889 119.300 -0.219 0.000 2.787 39 C HA 0.464 4.917 4.460 -0.012 0.000 0.265 39 C C 0.181 175.127 174.990 -0.074 0.000 1.190 39 C CA -0.517 58.431 59.018 -0.116 0.000 1.616 39 C CB -1.319 26.425 27.740 0.006 0.000 1.732 39 C HN 0.530 nan 8.230 nan 0.000 0.433 40 R N 2.262 122.703 120.500 -0.098 0.000 2.481 40 R HA -0.015 4.318 4.340 -0.012 0.000 0.291 40 R C 0.823 177.112 176.300 -0.018 0.000 0.934 40 R CA 0.798 56.868 56.100 -0.050 0.000 1.116 40 R CB 0.527 30.793 30.300 -0.058 0.000 0.895 40 R HN 0.691 nan 8.270 nan 0.000 0.410 55 E N 1.388 121.673 120.200 0.142 0.000 2.676 55 E HA 0.188 4.531 4.350 -0.012 0.000 0.222 55 E C -0.462 176.184 176.600 0.076 0.000 0.968 55 E CA -0.201 56.255 56.400 0.094 0.000 1.090 55 E CB 1.029 30.765 29.700 0.060 0.000 1.066 55 E HN 0.621 nan 8.360 nan 0.000 0.496 56 E N 1.092 121.345 120.200 0.088 0.000 2.313 56 E HA 0.200 4.543 4.350 -0.012 0.000 0.280 56 E C -0.906 175.737 176.600 0.073 0.000 0.898 56 E CA -0.799 55.635 56.400 0.056 0.000 0.803 56 E CB 1.309 31.039 29.700 0.049 0.000 1.286 56 E HN 0.102 nan 8.360 nan 0.000 0.401 57 T N -0.457 114.132 114.554 0.058 0.000 2.918 57 T HA 0.462 4.805 4.350 -0.012 0.000 0.283 57 T C 0.159 174.904 174.700 0.074 0.000 1.001 57 T CA -0.752 61.397 62.100 0.081 0.000 1.041 57 T CB 1.500 70.433 68.868 0.109 0.000 1.028 57 T HN 0.268 nan 8.240 nan 0.000 0.511 58 V N 3.161 123.123 119.914 0.080 0.000 2.304 58 V HA 0.266 4.379 4.120 -0.012 0.000 0.269 58 V C -0.297 175.871 176.094 0.123 0.000 1.036 58 V CA -0.803 61.536 62.300 0.066 0.000 0.840 58 V CB -0.263 31.570 31.823 0.016 0.000 1.036 58 V HN 0.859 nan 8.190 nan 0.000 0.466 59 F N 7.967 127.933 119.950 0.026 0.000 2.494 59 F HA 0.403 4.922 4.527 -0.013 0.000 0.351 59 F C -0.587 175.278 175.800 0.109 0.000 1.205 59 F CA -0.519 57.516 58.000 0.058 0.000 1.125 59 F CB -0.214 38.812 39.000 0.044 0.000 1.268 59 F HN 0.521 nan 8.300 nan 0.000 0.593 60 Y N 4.494 124.439 120.300 -0.590 0.000 2.421 60 Y HA 0.589 5.132 4.550 -0.012 0.000 0.339 60 Y C 0.143 175.771 175.900 -0.453 0.000 0.996 60 Y CA -0.933 56.852 58.100 -0.524 0.000 1.046 60 Y CB 1.934 40.213 38.460 -0.302 0.000 1.226 60 Y HN 0.625 nan 8.280 nan 0.000 0.445 61 G N 3.851 111.995 108.800 -1.093 0.000 2.480 61 G HA2 -0.244 3.709 3.960 -0.012 0.000 0.193 61 G HA3 -0.244 3.709 3.960 -0.012 0.000 0.193 61 G C 0.476 175.163 174.900 -0.355 0.000 1.004 61 G CA 0.106 44.683 45.100 -0.871 0.000 0.696 61 G HN 0.874 nan 8.290 nan 0.000 0.478 62 L N 1.654 122.660 121.223 -0.362 0.000 2.079 62 L HA 0.128 4.461 4.340 -0.012 0.000 0.210 62 L C 2.439 179.264 176.870 -0.074 0.000 1.081 62 L CA 3.229 57.958 54.840 -0.185 0.000 0.752 62 L CB -0.538 41.480 42.059 -0.069 0.000 0.896 62 L HN 0.516 nan 8.230 nan 0.000 0.433 63 Q N -2.064 117.756 119.800 0.033 0.000 2.364 63 Q HA -0.249 4.084 4.340 -0.012 0.000 0.209 63 Q C 1.953 177.922 176.000 -0.051 0.000 0.977 63 Q CA 1.503 57.322 55.803 0.027 0.000 0.885 63 Q CB -0.257 28.524 28.738 0.072 0.000 0.941 63 Q HN 0.727 nan 8.270 nan 0.000 0.464 64 Y N 0.411 120.619 120.300 -0.154 0.000 2.144 64 Y HA -0.128 4.415 4.550 -0.012 0.000 0.279 64 Y C 1.779 177.528 175.900 -0.251 0.000 1.099 64 Y CA 1.691 59.617 58.100 -0.289 0.000 1.087 64 Y CB -0.485 37.807 38.460 -0.280 0.000 1.007 64 Y HN 0.039 nan 8.280 nan 0.000 0.482 65 I N 0.712 121.193 120.570 -0.148 0.000 2.290 65 I HA -0.395 3.768 4.170 -0.012 0.000 0.253 65 I C 2.369 178.410 176.117 -0.126 0.000 1.112 65 I CA 1.539 62.765 61.300 -0.122 0.000 1.377 65 I CB -0.585 37.392 38.000 -0.039 0.000 1.060 65 I HN 0.389 nan 8.210 nan 0.000 0.428 66 L N 0.099 121.227 121.223 -0.159 0.000 2.005 66 L HA -0.206 4.127 4.340 -0.012 0.000 0.207 66 L C 2.430 179.259 176.870 -0.068 0.000 1.072 66 L CA 1.506 56.247 54.840 -0.164 0.000 0.744 66 L CB -0.797 41.187 42.059 -0.127 0.000 0.895 66 L HN 0.349 nan 8.230 nan 0.000 0.433 67 N N 0.381 119.059 118.700 -0.037 0.000 2.106 67 N HA -0.214 4.518 4.740 -0.012 0.000 0.188 67 N C 1.793 177.285 175.510 -0.030 0.000 1.029 67 N CA 1.247 54.314 53.050 0.029 0.000 0.848 67 N CB -0.134 38.440 38.487 0.145 0.000 1.007 67 N HN 0.287 nan 8.380 nan 0.000 0.423 68 K N -0.657 119.633 120.400 -0.184 0.000 2.504 68 K HA -0.077 4.236 4.320 -0.012 0.000 0.195 68 K C 0.489 176.561 176.600 -0.880 0.000 1.036 68 K CA 0.933 56.888 56.287 -0.554 0.000 0.984 68 K CB 0.239 32.057 32.500 -1.137 0.000 0.788 68 K HN 0.239 nan 8.250 nan 0.000 0.488 69 Y N -2.021 118.145 120.300 -0.224 0.000 2.589 69 Y HA 0.142 4.685 4.550 -0.011 0.000 0.274 69 Y C 1.364 177.286 175.900 0.036 0.000 1.177 69 Y CA -0.444 57.584 58.100 -0.119 0.000 1.123 69 Y CB 0.627 38.987 38.460 -0.167 0.000 1.330 69 Y HN -0.157 nan 8.280 nan 0.000 0.518 70 L N 0.466 121.750 121.223 0.100 0.000 2.349 70 L HA 0.120 4.452 4.340 -0.012 0.000 0.200 70 L C 0.972 177.971 176.870 0.215 0.000 1.064 70 L CA 0.092 54.978 54.840 0.077 0.000 0.821 70 L CB -0.232 41.656 42.059 -0.285 0.000 1.027 70 L HN -0.017 nan 8.230 nan 0.000 0.476 71 K N 1.254 121.802 120.400 0.246 0.000 2.457 71 K HA 0.216 4.528 4.320 -0.012 0.000 0.269 71 K C 0.676 177.282 176.600 0.010 0.000 0.969 71 K CA 0.535 56.967 56.287 0.242 0.000 0.921 71 K CB -0.034 32.545 32.500 0.132 0.000 0.940 71 K HN 0.201 nan 8.250 nan 0.000 0.517 72 G N 0.610 109.289 108.800 -0.203 0.000 2.697 72 G HA2 -0.325 3.628 3.960 -0.012 0.000 0.240 72 G HA3 -0.325 3.628 3.960 -0.012 0.000 0.240 72 G C -1.001 173.701 174.900 -0.330 0.000 1.346 72 G CA 0.192 45.106 45.100 -0.309 0.000 0.887 72 G HN 0.866 nan 8.290 nan 0.000 0.569 73 K N 0.339 120.781 120.400 0.071 0.000 2.316 73 K HA 0.425 4.737 4.320 -0.012 0.000 0.289 73 K C 1.284 177.992 176.600 0.181 0.000 1.070 73 K CA 0.342 56.819 56.287 0.316 0.000 0.928 73 K CB 0.590 33.258 32.500 0.279 0.000 1.039 73 K HN 1.203 nan 8.250 nan 0.000 0.480 74 V N 1.432 121.466 119.914 0.201 0.000 3.432 74 V HA 0.212 4.324 4.120 -0.012 0.000 0.298 74 V C -0.143 176.030 176.094 0.132 0.000 1.464 74 V CA -0.468 61.930 62.300 0.164 0.000 1.046 74 V CB 0.718 32.655 31.823 0.190 0.000 0.887 74 V HN 0.230 nan 8.190 nan 0.000 0.441 75 V N 1.664 121.672 119.914 0.157 0.000 2.555 75 V HA 0.860 4.972 4.120 -0.012 0.000 0.302 75 V C 0.047 176.198 176.094 0.095 0.000 1.038 75 V CA 0.392 62.762 62.300 0.117 0.000 0.887 75 V CB 1.473 33.441 31.823 0.243 0.000 0.991 75 V HN 0.627 nan 8.190 nan 0.000 0.434 76 T N -0.134 114.449 114.554 0.049 0.000 2.900 76 T HA 0.385 4.728 4.350 -0.012 0.000 0.303 76 T C 0.731 175.451 174.700 0.034 0.000 1.142 76 T CA -0.728 61.399 62.100 0.044 0.000 1.007 76 T CB 2.075 70.960 68.868 0.028 0.000 1.156 76 T HN 0.701 nan 8.240 nan 0.000 0.490 77 K N 1.467 121.889 120.400 0.037 0.000 2.144 77 K HA -0.259 4.054 4.320 -0.012 0.000 0.209 77 K C 1.105 177.716 176.600 0.018 0.000 1.047 77 K CA 2.052 58.360 56.287 0.035 0.000 0.927 77 K CB -0.465 32.051 32.500 0.028 0.000 0.716 77 K HN 0.682 nan 8.250 nan 0.000 0.454 78 E N 1.278 121.481 120.200 0.004 0.000 2.107 78 E HA -0.042 4.301 4.350 -0.012 0.000 0.191 78 E C 1.922 178.497 176.600 -0.041 0.000 0.982 78 E CA 1.173 57.564 56.400 -0.014 0.000 0.809 78 E CB 0.010 29.702 29.700 -0.013 0.000 0.756 78 E HN 0.427 nan 8.360 nan 0.000 0.459 79 K N 0.276 120.647 120.400 -0.049 0.000 2.217 79 K HA 0.014 4.327 4.320 -0.012 0.000 0.202 79 K C 1.697 178.218 176.600 -0.132 0.000 1.051 79 K CA 0.631 56.857 56.287 -0.103 0.000 0.952 79 K CB 0.089 32.522 32.500 -0.112 0.000 0.736 79 K HN 0.096 nan 8.250 nan 0.000 0.453 80 I N 1.468 122.005 120.570 -0.055 0.000 2.546 80 I HA -0.178 3.985 4.170 -0.012 0.000 0.255 80 I C 2.403 178.513 176.117 -0.011 0.000 1.163 80 I CA 1.392 62.708 61.300 0.026 0.000 1.457 80 I CB -0.697 37.386 38.000 0.139 0.000 1.092 80 I HN 0.206 nan 8.210 nan 0.000 0.434 81 Q N 1.132 120.913 119.800 -0.032 0.000 2.163 81 Q HA -0.125 4.208 4.340 -0.012 0.000 0.198 81 Q C 2.108 178.046 176.000 -0.102 0.000 0.954 81 Q CA 1.408 57.188 55.803 -0.039 0.000 0.851 81 Q CB -0.054 28.673 28.738 -0.018 0.000 0.928 81 Q HN 0.440 nan 8.270 nan 0.000 0.459 82 E N -0.543 119.576 120.200 -0.135 0.000 2.028 82 E HA -0.190 4.153 4.350 -0.012 0.000 0.191 82 E C 1.738 178.171 176.600 -0.278 0.000 0.988 82 E CA 0.912 57.207 56.400 -0.174 0.000 0.799 82 E CB -0.178 29.422 29.700 -0.166 0.000 0.755 82 E HN 0.436 nan 8.360 nan 0.000 0.447 83 A N 2.163 124.759 122.820 -0.374 0.000 1.852 83 A HA -0.248 4.065 4.320 -0.012 0.000 0.217 83 A C 1.315 178.560 177.584 -0.566 0.000 1.215 83 A CA 2.093 53.774 52.037 -0.594 0.000 0.641 83 A CB -0.840 17.655 19.000 -0.842 0.000 0.838 83 A HN 0.346 nan 8.150 nan 0.000 0.450 84 K N -1.263 118.799 120.400 -0.564 0.000 2.188 84 K HA 0.284 4.596 4.320 -0.012 0.000 0.246 84 K C 0.635 177.169 176.600 -0.109 0.000 1.026 84 K CA 0.479 56.655 56.287 -0.185 0.000 0.871 84 K CB 0.429 32.957 32.500 0.045 0.000 1.042 84 K HN 0.705 nan 8.250 nan 0.000 0.509 85 E N -1.839 118.355 120.200 -0.009 0.000 4.562 85 E HA -0.289 4.053 4.350 -0.012 0.000 0.293 85 E C 0.277 176.847 176.600 -0.051 0.000 0.724 85 E CA 1.319 57.706 56.400 -0.022 0.000 1.636 85 E CB -1.210 28.461 29.700 -0.048 0.000 1.797 85 E HN 0.380 nan 8.360 nan 0.000 0.420 86 V N -0.377 119.466 119.914 -0.119 0.000 2.735 86 V HA 0.109 4.222 4.120 -0.012 0.000 0.234 86 V C 1.186 177.241 176.094 -0.066 0.000 1.121 86 V CA 1.283 63.471 62.300 -0.187 0.000 1.160 86 V CB -0.256 31.333 31.823 -0.391 0.000 0.908 86 V HN 0.317 nan 8.190 nan 0.000 0.495 87 Y N 1.499 121.828 120.300 0.047 0.000 3.127 87 Y HA 0.088 4.630 4.550 -0.013 0.000 0.387 87 Y C 1.822 177.908 175.900 0.309 0.000 1.029 87 Y CA 0.211 58.472 58.100 0.268 0.000 1.905 87 Y CB -0.053 38.568 38.460 0.268 0.000 2.007 87 Y HN 0.217 nan 8.280 nan 0.000 0.435 88 R N -0.298 120.391 120.500 0.315 0.000 3.001 88 R HA -0.006 4.327 4.340 -0.012 0.000 0.160 88 R C 1.554 177.966 176.300 0.187 0.000 0.830 88 R CA 0.823 57.069 56.100 0.243 0.000 1.363 88 R CB -0.420 29.970 30.300 0.149 0.000 1.669 88 R HN 0.256 nan 8.270 nan 0.000 0.553 89 E N 0.114 120.390 120.200 0.126 0.000 2.046 89 E HA -0.202 4.141 4.350 -0.012 0.000 0.190 89 E C 1.370 178.049 176.600 0.132 0.000 0.982 89 E CA 1.153 57.604 56.400 0.086 0.000 0.800 89 E CB -0.353 29.360 29.700 0.022 0.000 0.756 89 E HN 0.625 nan 8.360 nan 0.000 0.449 90 H N -1.102 117.966 119.070 -0.003 0.000 2.251 90 H HA -0.162 4.386 4.556 -0.013 0.000 0.294 90 H C 1.690 176.964 175.328 -0.090 0.000 1.078 90 H CA 1.908 57.898 56.048 -0.097 0.000 1.246 90 H CB -0.104 29.554 29.762 -0.173 0.000 1.358 90 H HN 0.206 nan 8.280 nan 0.000 0.488 91 F N 0.436 120.460 119.950 0.123 0.000 2.780 91 F HA -0.012 4.508 4.527 -0.012 0.000 0.299 91 F C 0.720 176.548 175.800 0.046 0.000 1.146 91 F CA 0.001 58.012 58.000 0.018 0.000 1.428 91 F CB 0.421 39.440 39.000 0.032 0.000 1.115 91 F HN 0.160 nan 8.300 nan 0.000 0.583 92 Q N 1.682 121.619 119.800 0.228 0.000 2.452 92 Q HA -0.256 4.076 4.340 -0.012 0.000 0.318 92 Q C -1.041 175.050 176.000 0.153 0.000 1.386 92 Q CA 1.474 57.367 55.803 0.150 0.000 0.872 92 Q CB -1.646 27.158 28.738 0.111 0.000 1.151 92 Q HN 0.676 nan 8.270 nan 0.000 0.417 93 D N -1.117 119.391 120.400 0.180 0.000 2.951 93 D HA 0.089 4.722 4.640 -0.012 0.000 0.262 93 D C -1.849 174.534 176.300 0.139 0.000 1.110 93 D CA -0.474 53.603 54.000 0.130 0.000 0.724 93 D CB 0.695 41.552 40.800 0.096 0.000 1.516 93 D HN -0.073 nan 8.370 nan 0.000 0.447 94 D N 2.331 122.792 120.400 0.102 0.000 2.428 94 D HA 0.366 4.998 4.640 -0.012 0.000 0.221 94 D C 0.408 176.756 176.300 0.080 0.000 1.123 94 D CA -0.014 54.060 54.000 0.123 0.000 0.869 94 D CB 1.466 42.333 40.800 0.113 0.000 1.032 94 D HN 0.182 nan 8.370 nan 0.000 0.506 95 V N 4.278 124.231 119.914 0.064 0.000 3.497 95 V HA 0.078 4.191 4.120 -0.012 0.000 0.272 95 V C 0.749 176.915 176.094 0.120 0.000 1.474 95 V CA -0.477 61.822 62.300 -0.002 0.000 1.025 95 V CB -0.189 31.468 31.823 -0.277 0.000 0.820 95 V HN 0.403 nan 8.190 nan 0.000 0.437 96 F N 3.010 122.968 119.950 0.014 0.000 2.623 96 F HA 0.100 4.619 4.527 -0.013 0.000 0.383 96 F C 0.878 176.646 175.800 -0.052 0.000 1.077 96 F CA 0.027 58.050 58.000 0.039 0.000 1.268 96 F CB 0.237 39.335 39.000 0.163 0.000 1.053 96 F HN 0.075 nan 8.300 nan 0.000 0.571 97 N N 4.940 122.998 118.700 -1.070 0.000 3.127 97 N HA -0.077 4.656 4.740 -0.012 0.000 0.317 97 N C 1.201 176.015 175.510 -1.160 0.000 1.242 97 N CA 0.403 52.644 53.050 -1.349 0.000 1.203 97 N CB -0.553 36.771 38.487 -1.938 0.000 1.462 97 N HN 0.872 nan 8.380 nan 0.000 0.546 98 E N 0.636 120.391 120.200 -0.741 0.000 2.265 98 E HA -0.192 4.151 4.350 -0.012 0.000 0.196 98 E C 1.650 178.167 176.600 -0.137 0.000 0.996 98 E CA 0.637 56.896 56.400 -0.234 0.000 0.832 98 E CB 0.253 30.042 29.700 0.149 0.000 0.756 98 E HN 0.462 nan 8.360 nan 0.000 0.491 99 R N -0.507 119.855 120.500 -0.231 0.000 2.057 99 R HA -0.032 4.301 4.340 -0.012 0.000 0.229 99 R C 2.343 178.562 176.300 -0.135 0.000 1.136 99 R CA 1.416 57.438 56.100 -0.130 0.000 0.952 99 R CB -0.469 29.758 30.300 -0.122 0.000 0.848 99 R HN 0.194 nan 8.270 nan 0.000 0.430 100 G N -1.175 107.400 108.800 -0.374 0.000 2.559 100 G HA2 -0.211 3.742 3.960 -0.012 0.000 0.216 100 G HA3 -0.211 3.742 3.960 -0.012 0.000 0.216 100 G C 0.740 175.531 174.900 -0.182 0.000 1.126 100 G CA 0.064 44.955 45.100 -0.349 0.000 0.778 100 G HN 0.420 nan 8.290 nan 0.000 0.543 101 W N 0.578 121.751 121.300 -0.211 0.000 2.523 101 W HA 0.143 4.795 4.660 -0.013 0.000 0.278 101 W C 2.388 178.960 176.519 0.089 0.000 1.236 101 W CA 0.177 57.507 57.345 -0.026 0.000 1.306 101 W CB 0.201 29.575 29.460 -0.145 0.000 1.101 101 W HN 0.129 nan 8.180 nan 0.000 0.577 102 N N -0.448 118.417 118.700 0.275 0.000 2.331 102 N HA -0.209 4.524 4.740 -0.012 0.000 0.180 102 N C 1.383 176.999 175.510 0.177 0.000 1.019 102 N CA 1.064 54.233 53.050 0.199 0.000 0.881 102 N CB -0.559 38.006 38.487 0.129 0.000 0.972 102 N HN 0.207 nan 8.380 nan 0.000 0.435 103 Y N 2.551 122.899 120.300 0.080 0.000 2.081 103 Y HA -0.211 4.332 4.550 -0.012 0.000 0.280 103 Y C 2.239 178.196 175.900 0.094 0.000 1.163 103 Y CA 1.491 59.628 58.100 0.063 0.000 1.135 103 Y CB -0.213 38.292 38.460 0.076 0.000 0.970 103 Y HN -0.050 nan 8.280 nan 0.000 0.498 104 I N -0.349 120.424 120.570 0.338 0.000 2.454 104 I HA -0.222 3.941 4.170 -0.012 0.000 0.254 104 I C 2.204 178.455 176.117 0.222 0.000 1.156 104 I CA 1.112 62.609 61.300 0.329 0.000 1.433 104 I CB -1.268 36.944 38.000 0.353 0.000 1.082 104 I HN 0.382 nan 8.210 nan 0.000 0.432 105 L N 0.726 122.056 121.223 0.178 0.000 2.127 105 L HA -0.004 4.329 4.340 -0.012 0.000 0.203 105 L C 2.370 179.248 176.870 0.013 0.000 1.080 105 L CA 1.599 56.509 54.840 0.117 0.000 0.768 105 L CB -0.521 41.614 42.059 0.127 0.000 0.924 105 L HN 0.099 nan 8.230 nan 0.000 0.444 106 E N -0.430 119.747 120.200 -0.039 0.000 2.152 106 E HA -0.228 4.114 4.350 -0.012 0.000 0.192 106 E C 1.792 178.252 176.600 -0.232 0.000 0.983 106 E CA 1.076 57.406 56.400 -0.118 0.000 0.818 106 E CB 0.245 29.871 29.700 -0.124 0.000 0.758 106 E HN 0.348 nan 8.360 nan 0.000 0.467 107 K N -0.106 120.073 120.400 -0.369 0.000 2.172 107 K HA -0.017 4.296 4.320 -0.012 0.000 0.203 107 K C 0.795 177.022 176.600 -0.622 0.000 1.040 107 K CA 0.753 56.663 56.287 -0.628 0.000 0.974 107 K CB 0.107 31.949 32.500 -1.096 0.000 0.857 107 K HN -0.021 nan 8.250 nan 0.000 0.464 108 Y N 1.209 121.445 120.300 -0.107 0.000 2.658 108 Y HA 0.279 4.821 4.550 -0.012 0.000 0.276 108 Y C -0.644 175.176 175.900 -0.134 0.000 1.167 108 Y CA -0.696 57.349 58.100 -0.092 0.000 1.230 108 Y CB -0.096 38.357 38.460 -0.011 0.000 1.144 108 Y HN 0.166 nan 8.280 nan 0.000 0.529 109 D N 1.276 121.656 120.400 -0.033 0.000 2.740 109 D HA -0.190 4.443 4.640 -0.012 0.000 0.231 109 D C 1.353 177.688 176.300 0.059 0.000 1.194 109 D CA 1.510 55.487 54.000 -0.038 0.000 0.673 109 D CB -0.966 39.758 40.800 -0.128 0.000 0.995 109 D HN 0.761 nan 8.370 nan 0.000 0.411 110 G N 0.477 109.379 108.800 0.170 0.000 2.168 110 G HA2 -0.355 3.598 3.960 -0.012 0.000 0.257 110 G HA3 -0.355 3.598 3.960 -0.012 0.000 0.257 110 G C 0.183 175.315 174.900 0.386 0.000 0.997 110 G CA 0.521 45.782 45.100 0.268 0.000 0.708 110 G HN 0.738 nan 8.290 nan 0.000 0.520 111 H N -0.595 118.576 119.070 0.167 0.000 2.517 111 H HA 0.434 4.983 4.556 -0.012 0.000 0.317 111 H C 0.811 176.190 175.328 0.084 0.000 1.080 111 H CA -1.029 55.088 56.048 0.114 0.000 1.301 111 H CB 0.987 30.783 29.762 0.057 0.000 1.425 111 H HN 0.124 nan 8.280 nan 0.000 0.471 112 L N 6.186 127.525 121.223 0.193 0.000 2.455 112 L HA 0.089 4.422 4.340 -0.012 0.000 0.272 112 L C -1.794 175.060 176.870 -0.026 0.000 1.174 112 L CA -1.601 53.304 54.840 0.109 0.000 0.869 112 L CB 0.407 42.586 42.059 0.200 0.000 1.130 112 L HN 0.478 nan 8.230 nan 0.000 0.474 113 P HA 0.239 nan 4.420 nan 0.000 0.219 113 P C -0.902 176.308 177.300 -0.150 0.000 1.847 113 P CA -0.041 62.874 63.100 -0.308 0.000 1.059 113 P CB -0.218 31.159 31.700 -0.537 0.000 1.900 114 I N -2.366 118.198 120.570 -0.010 0.000 2.769 114 I HA 0.633 4.795 4.170 -0.012 0.000 0.298 114 I C -0.934 175.287 176.117 0.174 0.000 1.128 114 I CA -1.478 59.870 61.300 0.080 0.000 1.031 114 I CB 3.194 41.268 38.000 0.124 0.000 1.235 114 I HN -0.111 nan 8.210 nan 0.000 0.423 115 E N 3.959 124.250 120.200 0.153 0.000 2.191 115 E HA 0.696 5.039 4.350 -0.012 0.000 0.274 115 E C -1.672 175.051 176.600 0.205 0.000 0.948 115 E CA -0.884 55.619 56.400 0.171 0.000 0.802 115 E CB 2.260 32.034 29.700 0.123 0.000 1.137 115 E HN 0.604 nan 8.360 nan 0.000 0.397 116 V N 4.911 124.964 119.914 0.232 0.000 2.447 116 V HA 0.336 4.449 4.120 -0.012 0.000 0.292 116 V C -0.532 175.664 176.094 0.171 0.000 1.021 116 V CA -0.987 61.420 62.300 0.178 0.000 0.850 116 V CB 1.407 33.300 31.823 0.116 0.000 1.005 116 V HN 0.587 nan 8.190 nan 0.000 0.426 117 K N 3.532 124.031 120.400 0.164 0.000 2.185 117 K HA 0.893 5.206 4.320 -0.012 0.000 0.269 117 K C -0.101 176.603 176.600 0.174 0.000 0.987 117 K CA -0.199 56.186 56.287 0.164 0.000 0.865 117 K CB 2.688 35.272 32.500 0.140 0.000 1.090 117 K HN 0.804 nan 8.250 nan 0.000 0.450 118 A N 2.072 124.996 122.820 0.172 0.000 2.507 118 A HA 0.746 5.059 4.320 -0.012 0.000 0.284 118 A C -0.875 176.754 177.584 0.075 0.000 1.281 118 A CA -0.648 51.471 52.037 0.136 0.000 0.744 118 A CB 1.004 20.160 19.000 0.259 0.000 1.332 118 A HN 0.328 nan 8.150 nan 0.000 0.454 119 V N -0.906 119.007 119.914 -0.001 0.000 2.881 119 V HA 0.510 4.623 4.120 -0.012 0.000 0.316 119 V C -2.666 173.549 176.094 0.201 0.000 1.070 119 V CA -2.402 59.916 62.300 0.030 0.000 0.976 119 V CB 1.002 32.772 31.823 -0.089 0.000 1.038 119 V HN 0.677 nan 8.190 nan 0.000 0.446 120 P HA 0.012 nan 4.420 nan 0.000 0.260 120 P C -0.023 177.077 177.300 -0.333 0.000 1.172 120 P CA 0.393 63.373 63.100 -0.199 0.000 0.760 120 P CB 0.217 31.910 31.700 -0.012 0.000 0.773 121 E N 2.220 121.949 120.200 -0.785 0.000 2.452 121 E HA 0.114 4.457 4.350 -0.012 0.000 0.261 121 E C 1.429 177.915 176.600 -0.191 0.000 0.987 121 E CA 1.376 57.637 56.400 -0.233 0.000 0.926 121 E CB 0.095 29.785 29.700 -0.017 0.000 0.934 121 E HN 0.796 nan 8.360 nan 0.000 0.452 122 G N 2.753 111.508 108.800 -0.074 0.000 2.234 122 G HA2 -0.276 3.677 3.960 -0.012 0.000 0.235 122 G HA3 -0.276 3.677 3.960 -0.012 0.000 0.235 122 G C 0.405 175.277 174.900 -0.047 0.000 0.997 122 G CA 0.116 45.143 45.100 -0.122 0.000 0.623 122 G HN 0.479 nan 8.290 nan 0.000 0.514 123 S N 0.088 115.796 115.700 0.014 0.000 2.563 123 S HA 0.323 4.786 4.470 -0.012 0.000 0.294 123 S C 0.640 175.253 174.600 0.022 0.000 1.279 123 S CA 0.336 58.557 58.200 0.034 0.000 1.069 123 S CB 1.651 64.882 63.200 0.052 0.000 0.828 123 S HN 0.785 nan 8.310 nan 0.000 0.497 124 V N 6.190 126.105 119.914 0.002 0.000 2.247 124 V HA 0.286 4.399 4.120 -0.012 0.000 0.262 124 V C -0.007 176.024 176.094 -0.105 0.000 1.096 124 V CA -0.147 62.145 62.300 -0.013 0.000 0.895 124 V CB -0.515 31.318 31.823 0.017 0.000 1.141 124 V HN 0.680 nan 8.190 nan 0.000 0.478 125 I N 7.445 127.874 120.570 -0.235 0.000 2.359 125 I HA 0.383 4.546 4.170 -0.012 0.000 0.294 125 I C -1.616 174.362 176.117 -0.232 0.000 0.987 125 I CA -2.072 58.919 61.300 -0.515 0.000 1.225 125 I CB 2.139 39.731 38.000 -0.679 0.000 1.366 125 I HN 0.345 nan 8.210 nan 0.000 0.466 126 P HA 0.006 nan 4.420 nan 0.000 0.276 126 P C -0.644 176.638 177.300 -0.030 0.000 1.264 126 P CA -0.136 62.949 63.100 -0.025 0.000 0.815 126 P CB 0.543 32.273 31.700 0.050 0.000 1.121 127 R N -1.443 119.062 120.500 0.007 0.000 2.536 127 R HA 0.441 4.774 4.340 -0.012 0.000 0.279 127 R C 1.026 177.326 176.300 -0.001 0.000 1.001 127 R CA 0.191 56.294 56.100 0.005 0.000 1.027 127 R CB 0.525 30.840 30.300 0.025 0.000 1.096 127 R HN 0.898 nan 8.270 nan 0.000 0.502 128 G N 1.326 110.120 108.800 -0.010 0.000 2.141 128 G HA2 -0.232 3.720 3.960 -0.012 0.000 0.242 128 G HA3 -0.232 3.720 3.960 -0.012 0.000 0.242 128 G C -0.079 174.814 174.900 -0.011 0.000 0.982 128 G CA -0.265 44.832 45.100 -0.005 0.000 0.662 128 G HN 0.554 nan 8.290 nan 0.000 0.527 129 N N -0.406 118.275 118.700 -0.031 0.000 2.456 129 N HA 0.479 5.211 4.740 -0.012 0.000 0.296 129 N C 0.089 175.568 175.510 -0.052 0.000 1.102 129 N CA -0.350 52.669 53.050 -0.052 0.000 0.924 129 N CB 2.202 40.632 38.487 -0.095 0.000 1.186 129 N HN 0.101 nan 8.380 nan 0.000 0.492 130 V N 3.088 122.970 119.914 -0.053 0.000 2.572 130 V HA 0.093 4.206 4.120 -0.012 0.000 0.291 130 V C 1.059 177.088 176.094 -0.109 0.000 1.039 130 V CA 0.495 62.777 62.300 -0.031 0.000 1.055 130 V CB 0.197 31.997 31.823 -0.037 0.000 0.969 130 V HN 0.558 nan 8.190 nan 0.000 0.482 131 L N 6.339 127.481 121.223 -0.135 0.000 2.547 131 L HA 0.415 4.748 4.340 -0.012 0.000 0.218 131 L C -0.033 176.672 176.870 -0.275 0.000 1.048 131 L CA 0.271 54.920 54.840 -0.318 0.000 0.859 131 L CB 0.438 42.286 42.059 -0.351 0.000 1.128 131 L HN 0.733 nan 8.230 nan 0.000 0.483 132 F N -1.103 118.767 119.950 -0.134 0.000 2.693 132 F HA 0.626 5.146 4.527 -0.012 0.000 0.309 132 F C -0.790 175.019 175.800 0.014 0.000 1.129 132 F CA -1.130 56.821 58.000 -0.081 0.000 0.948 132 F CB 0.954 39.897 39.000 -0.095 0.000 1.315 132 F HN -0.143 nan 8.300 nan 0.000 0.447 133 T N -0.363 114.418 114.554 0.378 0.000 2.901 133 T HA 0.864 5.207 4.350 -0.012 0.000 0.293 133 T C -1.771 173.034 174.700 0.176 0.000 1.084 133 T CA -0.876 61.288 62.100 0.106 0.000 1.008 133 T CB 1.665 70.395 68.868 -0.230 0.000 1.170 133 T HN 0.998 nan 8.240 nan 0.000 0.509 134 V N 2.002 121.947 119.914 0.051 0.000 2.668 134 V HA 0.688 4.801 4.120 -0.012 0.000 0.304 134 V C -0.709 175.428 176.094 0.072 0.000 1.071 134 V CA -0.783 61.609 62.300 0.153 0.000 0.894 134 V CB 1.526 33.563 31.823 0.357 0.000 1.008 134 V HN 1.176 nan 8.190 nan 0.000 0.425 135 E N 3.709 123.982 120.200 0.122 0.000 2.383 135 E HA 0.483 4.826 4.350 -0.012 0.000 0.275 135 E C -1.425 175.240 176.600 0.109 0.000 0.918 135 E CA -0.998 55.506 56.400 0.173 0.000 0.764 135 E CB 2.285 32.173 29.700 0.314 0.000 1.252 135 E HN 0.629 nan 8.360 nan 0.000 0.449 136 N N 1.435 120.172 118.700 0.062 0.000 2.530 136 N HA 0.039 4.772 4.740 -0.012 0.000 0.277 136 N C 0.548 176.059 175.510 0.002 0.000 1.168 136 N CA 0.019 53.055 53.050 -0.023 0.000 0.979 136 N CB 1.475 39.902 38.487 -0.099 0.000 1.141 136 N HN 0.692 nan 8.380 nan 0.000 0.459 137 T N -2.869 111.660 114.554 -0.041 0.000 3.009 137 T HA -0.040 4.303 4.350 -0.012 0.000 0.258 137 T C 0.312 175.008 174.700 -0.007 0.000 1.063 137 T CA 0.478 62.563 62.100 -0.025 0.000 1.139 137 T CB 0.027 68.849 68.868 -0.077 0.000 0.890 137 T HN 0.559 nan 8.240 nan 0.000 0.471 138 D N 2.458 122.842 120.400 -0.026 0.000 2.256 138 D HA 0.266 4.899 4.640 -0.012 0.000 0.240 138 D C -1.871 174.446 176.300 0.027 0.000 1.062 138 D CA -2.648 51.387 54.000 0.059 0.000 0.832 138 D CB 2.350 43.258 40.800 0.181 0.000 1.135 138 D HN -0.041 nan 8.370 nan 0.000 0.484 139 P HA -0.061 nan 4.420 nan 0.000 0.239 139 P C 0.522 177.864 177.300 0.070 0.000 1.184 139 P CA 0.552 63.683 63.100 0.052 0.000 0.760 139 P CB 0.685 32.410 31.700 0.043 0.000 0.884 140 E N -1.092 119.100 120.200 -0.014 0.000 2.415 140 E HA 0.057 4.400 4.350 -0.012 0.000 0.197 140 E C 0.734 177.301 176.600 -0.054 0.000 1.007 140 E CA 0.384 56.718 56.400 -0.110 0.000 0.890 140 E CB -0.489 28.815 29.700 -0.660 0.000 0.891 140 E HN 0.126 nan 8.360 nan 0.000 0.496 141 C N 1.808 120.988 119.300 -0.199 0.000 2.404 141 C HA 0.169 4.621 4.460 -0.012 0.000 0.325 141 C C 1.530 176.081 174.990 -0.731 0.000 1.363 141 C CA -0.760 57.860 59.018 -0.663 0.000 1.775 141 C CB -2.112 25.285 27.740 -0.573 0.000 2.254 141 C HN 0.547 nan 8.230 nan 0.000 0.568 142 Y N 0.131 120.259 120.300 -0.286 0.000 2.256 142 Y HA -0.200 4.342 4.550 -0.013 0.000 0.288 142 Y C 2.207 177.980 175.900 -0.211 0.000 1.155 142 Y CA 1.593 59.569 58.100 -0.208 0.000 1.203 142 Y CB -0.952 37.437 38.460 -0.119 0.000 0.980 142 Y HN 0.619 nan 8.280 nan 0.000 0.530 143 W N 0.741 121.382 121.300 -1.099 0.000 2.519 143 W HA -0.027 4.625 4.660 -0.013 0.000 0.266 143 W C 1.640 178.082 176.519 -0.129 0.000 1.253 143 W CA 0.307 57.325 57.345 -0.545 0.000 1.274 143 W CB -1.149 27.943 29.460 -0.613 0.000 1.114 143 W HN 0.254 nan 8.180 nan 0.000 0.596 144 L N 1.617 122.208 121.223 -1.053 0.000 1.994 144 L HA -0.209 4.124 4.340 -0.012 0.000 0.208 144 L C 2.604 179.411 176.870 -0.105 0.000 1.071 144 L CA 2.530 56.912 54.840 -0.763 0.000 0.745 144 L CB -0.929 40.492 42.059 -1.064 0.000 0.892 144 L HN -0.061 nan 8.230 nan 0.000 0.431 145 T N 0.285 114.793 114.554 -0.077 0.000 2.397 145 T HA -0.343 4.000 4.350 -0.012 0.000 0.236 145 T C 1.479 176.320 174.700 0.235 0.000 1.393 145 T CA 2.273 64.440 62.100 0.112 0.000 1.148 145 T CB -0.719 68.239 68.868 0.150 0.000 0.853 145 T HN 0.467 nan 8.240 nan 0.000 0.419 146 N N -0.085 118.797 118.700 0.302 0.000 2.443 146 N HA -0.114 4.619 4.740 -0.012 0.000 0.184 146 N C 1.687 177.361 175.510 0.273 0.000 1.037 146 N CA 0.760 54.007 53.050 0.328 0.000 0.896 146 N CB -0.187 38.536 38.487 0.393 0.000 0.959 146 N HN 0.573 nan 8.380 nan 0.000 0.442 147 W N 3.073 124.477 121.300 0.173 0.000 2.338 147 W HA -0.161 4.494 4.660 -0.008 0.000 0.304 147 W C 1.362 177.966 176.519 0.141 0.000 1.212 147 W CA 1.068 58.539 57.345 0.210 0.000 1.264 147 W CB -0.039 29.608 29.460 0.311 0.000 1.142 147 W HN 0.041 nan 8.180 nan 0.000 0.512 148 I N -0.749 120.042 120.570 0.369 0.000 3.735 148 I HA 0.087 4.250 4.170 -0.012 0.000 0.310 148 I C 1.818 177.905 176.117 -0.050 0.000 1.270 148 I CA 0.505 61.924 61.300 0.198 0.000 1.207 148 I CB -0.976 37.112 38.000 0.147 0.000 1.013 148 I HN -0.023 nan 8.210 nan 0.000 0.452 149 E N 1.806 121.925 120.200 -0.135 0.000 2.021 149 E HA -0.258 4.085 4.350 -0.012 0.000 0.200 149 E C 1.684 178.115 176.600 -0.282 0.000 1.015 149 E CA 2.858 58.971 56.400 -0.479 0.000 0.824 149 E CB -0.139 29.411 29.700 -0.249 0.000 0.762 149 E HN 0.644 nan 8.360 nan 0.000 0.454 150 T N 2.025 116.518 114.554 -0.102 0.000 2.469 150 T HA -0.280 4.063 4.350 -0.012 0.000 0.254 150 T C 1.982 176.674 174.700 -0.013 0.000 1.214 150 T CA 1.904 63.992 62.100 -0.020 0.000 1.202 150 T CB -0.807 68.059 68.868 -0.004 0.000 0.864 150 T HN 0.279 nan 8.240 nan 0.000 0.408 151 I N 0.888 121.447 120.570 -0.020 0.000 2.181 151 I HA -0.202 3.961 4.170 -0.012 0.000 0.247 151 I C 2.221 178.288 176.117 -0.084 0.000 1.081 151 I CA 1.601 62.864 61.300 -0.062 0.000 1.340 151 I CB -0.229 37.752 38.000 -0.032 0.000 1.036 151 I HN 0.264 nan 8.210 nan 0.000 0.417 152 L N -0.890 120.279 121.223 -0.090 0.000 2.291 152 L HA -0.112 4.221 4.340 -0.012 0.000 0.214 152 L C 2.215 179.110 176.870 0.041 0.000 1.120 152 L CA 0.425 55.205 54.840 -0.101 0.000 0.799 152 L CB -0.370 41.593 42.059 -0.160 0.000 0.925 152 L HN 0.135 nan 8.230 nan 0.000 0.446 153 V N -0.811 119.160 119.914 0.095 0.000 2.871 153 V HA -0.176 3.936 4.120 -0.012 0.000 0.256 153 V C 1.718 178.050 176.094 0.398 0.000 1.082 153 V CA 0.857 63.354 62.300 0.329 0.000 1.105 153 V CB -0.474 31.529 31.823 0.301 0.000 0.713 153 V HN 0.499 nan 8.190 nan 0.000 0.473 154 Q N 0.228 120.162 119.800 0.225 0.000 2.486 154 Q HA -0.024 4.309 4.340 -0.012 0.000 0.211 154 Q C 1.708 177.623 176.000 -0.141 0.000 0.949 154 Q CA 0.488 56.366 55.803 0.125 0.000 0.998 154 Q CB -0.233 28.509 28.738 0.008 0.000 1.004 154 Q HN 0.541 nan 8.270 nan 0.000 0.531 155 S N 0.090 115.780 115.700 -0.016 0.000 2.503 155 S HA -0.044 4.419 4.470 -0.012 0.000 0.215 155 S C 1.237 175.798 174.600 -0.065 0.000 1.003 155 S CA -0.328 57.800 58.200 -0.120 0.000 0.910 155 S CB -0.078 63.060 63.200 -0.102 0.000 0.790 155 S HN 0.720 nan 8.310 nan 0.000 0.514 156 W N 0.996 122.425 121.300 0.215 0.000 2.359 156 W HA -0.227 4.431 4.660 -0.005 0.000 0.275 156 W C 1.502 178.110 176.519 0.148 0.000 1.217 156 W CA 0.625 58.119 57.345 0.247 0.000 1.196 156 W CB -0.857 28.744 29.460 0.235 0.000 1.129 156 W HN 0.344 nan 8.180 nan 0.000 0.566 157 Y N 3.215 122.804 120.300 -1.184 0.000 2.170 157 Y HA 0.037 4.579 4.550 -0.013 0.000 0.280 157 Y C -0.195 175.382 175.900 -0.538 0.000 1.097 157 Y CA 1.286 58.650 58.100 -1.227 0.000 1.087 157 Y CB -1.791 35.843 38.460 -1.376 0.000 1.016 157 Y HN -0.304 nan 8.280 nan 0.000 0.485 158 P HA -0.251 nan 4.420 nan 0.000 0.218 158 P C 1.659 178.751 177.300 -0.346 0.000 1.152 158 P CA 2.441 65.242 63.100 -0.498 0.000 0.857 158 P CB -0.185 31.193 31.700 -0.536 0.000 0.787 159 I N -1.496 118.913 120.570 -0.269 0.000 2.202 159 I HA -0.221 3.942 4.170 -0.012 0.000 0.242 159 I C 2.038 178.107 176.117 -0.081 0.000 1.091 159 I CA 1.734 62.975 61.300 -0.099 0.000 1.368 159 I CB -1.024 36.997 38.000 0.035 0.000 1.058 159 I HN -0.007 nan 8.210 nan 0.000 0.410 160 T N 0.233 114.714 114.554 -0.122 0.000 2.857 160 T HA -0.083 4.260 4.350 -0.012 0.000 0.266 160 T C 2.014 176.615 174.700 -0.166 0.000 1.048 160 T CA 0.970 63.011 62.100 -0.097 0.000 1.139 160 T CB -0.210 68.679 68.868 0.036 0.000 0.874 160 T HN 0.082 nan 8.240 nan 0.000 0.455 161 V N 1.841 121.560 119.914 -0.326 0.000 2.261 161 V HA -0.185 3.928 4.120 -0.012 0.000 0.246 161 V C 2.907 178.941 176.094 -0.100 0.000 1.047 161 V CA 1.808 63.947 62.300 -0.269 0.000 1.015 161 V CB -1.276 30.288 31.823 -0.433 0.000 0.642 161 V HN 0.528 nan 8.190 nan 0.000 0.446 162 A N -0.235 122.534 122.820 -0.084 0.000 1.845 162 A HA -0.250 4.063 4.320 -0.012 0.000 0.215 162 A C 2.404 179.990 177.584 0.004 0.000 1.195 162 A CA 2.739 54.766 52.037 -0.016 0.000 0.616 162 A CB -1.273 17.740 19.000 0.022 0.000 0.832 162 A HN 0.487 nan 8.150 nan 0.000 0.443 163 T N 0.387 114.945 114.554 0.007 0.000 2.570 163 T HA -0.236 4.107 4.350 -0.012 0.000 0.266 163 T C 1.957 176.732 174.700 0.126 0.000 1.071 163 T CA 1.620 63.753 62.100 0.055 0.000 1.172 163 T CB -0.613 68.277 68.868 0.036 0.000 0.864 163 T HN 0.680 nan 8.240 nan 0.000 0.421 164 N N 0.384 119.144 118.700 0.100 0.000 2.205 164 N HA -0.151 4.581 4.740 -0.012 0.000 0.186 164 N C 2.078 177.690 175.510 0.171 0.000 1.015 164 N CA 1.548 54.741 53.050 0.238 0.000 0.862 164 N CB -0.144 38.411 38.487 0.114 0.000 0.986 164 N HN 0.378 nan 8.380 nan 0.000 0.429 165 S N 0.582 116.350 115.700 0.113 0.000 2.387 165 S HA -0.065 4.398 4.470 -0.012 0.000 0.226 165 S C 2.010 176.729 174.600 0.198 0.000 1.026 165 S CA 0.499 58.778 58.200 0.131 0.000 0.972 165 S CB -0.201 63.072 63.200 0.121 0.000 0.814 165 S HN 0.391 nan 8.310 nan 0.000 0.477 166 R N 0.424 120.995 120.500 0.119 0.000 2.148 166 R HA 0.056 4.388 4.340 -0.012 0.000 0.223 166 R C 1.930 178.272 176.300 0.070 0.000 1.088 166 R CA 1.260 57.395 56.100 0.058 0.000 0.985 166 R CB -0.113 30.188 30.300 0.000 0.000 0.880 166 R HN 0.371 nan 8.270 nan 0.000 0.451 167 E N 0.534 120.795 120.200 0.102 0.000 2.208 167 E HA -0.174 4.168 4.350 -0.012 0.000 0.193 167 E C 1.753 178.387 176.600 0.057 0.000 0.988 167 E CA 1.015 57.456 56.400 0.067 0.000 0.828 167 E CB 0.088 29.830 29.700 0.070 0.000 0.763 167 E HN 0.525 nan 8.360 nan 0.000 0.478 168 Q N 0.289 120.147 119.800 0.097 0.000 2.311 168 Q HA -0.026 4.307 4.340 -0.012 0.000 0.203 168 Q C 2.043 178.143 176.000 0.166 0.000 0.954 168 Q CA 0.674 56.524 55.803 0.079 0.000 0.885 168 Q CB 0.151 28.913 28.738 0.040 0.000 0.963 168 Q HN 0.058 nan 8.270 nan 0.000 0.471 169 K N 0.941 121.478 120.400 0.230 0.000 2.062 169 K HA -0.100 4.213 4.320 -0.012 0.000 0.205 169 K C 1.662 178.296 176.600 0.056 0.000 1.051 169 K CA 0.883 57.271 56.287 0.168 0.000 0.941 169 K CB 0.230 32.641 32.500 -0.148 0.000 0.719 169 K HN 0.004 nan 8.250 nan 0.000 0.440 170 K N 0.716 121.134 120.400 0.030 0.000 2.020 170 K HA -0.163 4.150 4.320 -0.012 0.000 0.212 170 K C 2.062 178.699 176.600 0.062 0.000 1.050 170 K CA 1.531 57.832 56.287 0.022 0.000 0.929 170 K CB -0.225 32.283 32.500 0.014 0.000 0.714 170 K HN 0.126 nan 8.250 nan 0.000 0.443 171 I N 1.517 122.129 120.570 0.071 0.000 2.118 171 I HA -0.297 3.866 4.170 -0.012 0.000 0.241 171 I C 2.411 178.624 176.117 0.161 0.000 1.070 171 I CA 1.617 62.979 61.300 0.104 0.000 1.327 171 I CB -1.151 36.858 38.000 0.015 0.000 1.034 171 I HN 0.198 nan 8.210 nan 0.000 0.405 172 L N 0.434 121.736 121.223 0.132 0.000 2.046 172 L HA -0.187 4.146 4.340 -0.012 0.000 0.208 172 L C 2.832 179.795 176.870 0.156 0.000 1.077 172 L CA 1.399 56.344 54.840 0.174 0.000 0.747 172 L CB -0.648 41.548 42.059 0.228 0.000 0.896 172 L HN 0.212 nan 8.230 nan 0.000 0.432 173 A N 1.153 124.031 122.820 0.096 0.000 1.859 173 A HA -0.299 4.014 4.320 -0.012 0.000 0.217 173 A C 2.298 179.911 177.584 0.047 0.000 1.198 173 A CA 2.416 54.482 52.037 0.048 0.000 0.629 173 A CB -0.627 18.373 19.000 0.001 0.000 0.830 173 A HN 0.511 nan 8.150 nan 0.000 0.446 174 K N -2.390 118.041 120.400 0.052 0.000 2.283 174 K HA -0.130 4.183 4.320 -0.012 0.000 0.202 174 K C 1.653 178.194 176.600 -0.098 0.000 1.048 174 K CA 1.657 57.934 56.287 -0.016 0.000 0.948 174 K CB -0.404 32.082 32.500 -0.024 0.000 0.742 174 K HN 0.472 nan 8.250 nan 0.000 0.458 175 Y N 0.803 121.094 120.300 -0.015 0.000 2.314 175 Y HA 0.050 4.593 4.550 -0.012 0.000 0.294 175 Y C 2.076 177.941 175.900 -0.060 0.000 1.119 175 Y CA 0.699 58.777 58.100 -0.038 0.000 1.179 175 Y CB 0.049 38.502 38.460 -0.013 0.000 1.025 175 Y HN -0.010 nan 8.280 nan 0.000 0.541 176 L N -0.881 120.404 121.223 0.103 0.000 1.976 176 L HA -0.233 4.100 4.340 -0.012 0.000 0.209 176 L C 2.328 179.193 176.870 -0.007 0.000 1.071 176 L CA 1.159 56.028 54.840 0.048 0.000 0.746 176 L CB -0.594 41.505 42.059 0.067 0.000 0.890 176 L HN 0.236 nan 8.230 nan 0.000 0.432 177 L N 0.488 121.705 121.223 -0.010 0.000 1.997 177 L HA -0.329 4.004 4.340 -0.012 0.000 0.216 177 L C 2.502 179.347 176.870 -0.041 0.000 1.074 177 L CA 2.569 57.395 54.840 -0.023 0.000 0.763 177 L CB -0.752 41.290 42.059 -0.027 0.000 0.890 177 L HN 0.511 nan 8.230 nan 0.000 0.434 178 E N -2.305 117.838 120.200 -0.094 0.000 2.204 178 E HA -0.190 4.153 4.350 -0.012 0.000 0.194 178 E C 1.649 178.197 176.600 -0.088 0.000 0.989 178 E CA 1.468 57.807 56.400 -0.102 0.000 0.824 178 E CB -0.072 29.504 29.700 -0.206 0.000 0.756 178 E HN 0.497 nan 8.360 nan 0.000 0.477 179 T N -1.178 113.246 114.554 -0.216 0.000 3.044 179 T HA 0.035 4.377 4.350 -0.012 0.000 0.250 179 T C 1.358 176.043 174.700 -0.025 0.000 1.081 179 T CA 0.826 62.668 62.100 -0.431 0.000 1.040 179 T CB 0.201 68.666 68.868 -0.672 0.000 0.962 179 T HN 0.259 nan 8.240 nan 0.000 0.506 180 S N -1.187 114.519 115.700 0.010 0.000 2.653 180 S HA 0.436 4.899 4.470 -0.012 0.000 0.259 180 S C 1.649 176.274 174.600 0.042 0.000 1.076 180 S CA 0.954 59.182 58.200 0.048 0.000 1.051 180 S CB 0.495 63.713 63.200 0.029 0.000 0.994 180 S HN 0.507 nan 8.310 nan 0.000 0.552 181 G N 2.078 110.894 108.800 0.028 0.000 2.213 181 G HA2 -0.187 3.765 3.960 -0.012 0.000 0.226 181 G HA3 -0.187 3.765 3.960 -0.012 0.000 0.226 181 G C -0.109 174.797 174.900 0.010 0.000 0.992 181 G CA 0.165 45.278 45.100 0.021 0.000 0.632 181 G HN 1.029 nan 8.290 nan 0.000 0.511 182 N N -1.086 117.619 118.700 0.009 0.000 3.243 182 N HA 0.499 5.232 4.740 -0.012 0.000 0.280 182 N C 0.177 175.691 175.510 0.007 0.000 1.545 182 N CA -0.800 52.254 53.050 0.005 0.000 0.854 182 N CB 0.614 39.105 38.487 0.007 0.000 1.612 182 N HN 0.047 nan 8.380 nan 0.000 0.577 183 L N -0.128 121.097 121.223 0.004 0.000 2.818 183 L HA 0.251 4.584 4.340 -0.012 0.000 0.243 183 L C -0.670 176.210 176.870 0.017 0.000 1.185 183 L CA -0.259 54.584 54.840 0.006 0.000 0.988 183 L CB -0.646 41.406 42.059 -0.012 0.000 1.292 183 L HN 0.394 nan 8.230 nan 0.000 0.519 184 D N 1.746 122.158 120.400 0.020 0.000 2.520 184 D HA 0.202 4.835 4.640 -0.012 0.000 0.243 184 D C 1.383 177.713 176.300 0.050 0.000 1.160 184 D CA 1.417 55.433 54.000 0.028 0.000 0.877 184 D CB 0.643 41.453 40.800 0.017 0.000 1.150 184 D HN 0.375 nan 8.370 nan 0.000 0.494 185 G N 2.167 111.017 108.800 0.083 0.000 2.153 185 G HA2 -0.330 3.623 3.960 -0.012 0.000 0.252 185 G HA3 -0.330 3.623 3.960 -0.012 0.000 0.252 185 G C 0.943 175.950 174.900 0.177 0.000 0.994 185 G CA 0.378 45.571 45.100 0.155 0.000 0.698 185 G HN 0.543 nan 8.290 nan 0.000 0.521 186 L N -0.227 121.056 121.223 0.099 0.000 1.970 186 L HA -0.054 4.279 4.340 -0.012 0.000 0.212 186 L C 2.536 179.443 176.870 0.063 0.000 1.071 186 L CA 2.621 57.502 54.840 0.068 0.000 0.751 186 L CB -0.313 41.733 42.059 -0.021 0.000 0.889 186 L HN 0.395 nan 8.230 nan 0.000 0.432 187 E N -1.127 119.028 120.200 -0.076 0.000 2.492 187 E HA -0.218 4.125 4.350 -0.012 0.000 0.204 187 E C 0.126 176.619 176.600 -0.178 0.000 1.073 187 E CA 0.934 57.179 56.400 -0.258 0.000 0.887 187 E CB -0.034 29.431 29.700 -0.392 0.000 0.813 187 E HN 0.562 nan 8.360 nan 0.000 0.562 188 Y N -2.041 118.394 120.300 0.224 0.000 2.719 188 Y HA 0.259 4.802 4.550 -0.012 0.000 0.251 188 Y C 1.275 177.320 175.900 0.242 0.000 1.159 188 Y CA -0.373 57.874 58.100 0.245 0.000 1.166 188 Y CB 0.663 39.204 38.460 0.135 0.000 1.219 188 Y HN -0.184 nan 8.280 nan 0.000 0.551 189 K N 0.523 121.174 120.400 0.417 0.000 2.356 189 K HA 0.245 4.558 4.320 -0.012 0.000 0.195 189 K C -0.122 176.614 176.600 0.226 0.000 1.037 189 K CA 0.416 56.886 56.287 0.304 0.000 1.014 189 K CB 0.569 33.267 32.500 0.329 0.000 0.815 189 K HN 0.154 nan 8.250 nan 0.000 0.507 190 L N 1.518 122.763 121.223 0.036 0.000 2.343 190 L HA 0.276 4.608 4.340 -0.012 0.000 0.278 190 L C -1.297 175.510 176.870 -0.106 0.000 0.996 190 L CA -0.699 53.994 54.840 -0.244 0.000 0.831 190 L CB 1.292 42.797 42.059 -0.924 0.000 1.232 190 L HN 0.225 nan 8.230 nan 0.000 0.413 191 H N 3.287 122.235 119.070 -0.203 0.000 2.459 191 H HA 0.147 4.695 4.556 -0.012 0.000 0.332 191 H C -1.107 173.991 175.328 -0.384 0.000 1.094 191 H CA -0.577 55.383 56.048 -0.147 0.000 1.224 191 H CB 1.999 31.783 29.762 0.037 0.000 1.449 191 H HN 0.599 nan 8.280 nan 0.000 0.484 192 D N 4.051 124.129 120.400 -0.536 0.000 2.339 192 D HA -0.033 4.600 4.640 -0.012 0.000 0.256 192 D C -0.092 176.273 176.300 0.109 0.000 1.214 192 D CA -0.104 53.630 54.000 -0.444 0.000 0.877 192 D CB 0.113 40.534 40.800 -0.632 0.000 1.111 192 D HN 0.276 nan 8.370 nan 0.000 0.478 193 F N 2.346 122.245 119.950 -0.085 0.000 2.721 193 F HA 0.307 4.827 4.527 -0.013 0.000 0.301 193 F C 2.380 178.196 175.800 0.027 0.000 1.096 193 F CA -0.203 57.808 58.000 0.018 0.000 1.308 193 F CB -0.539 38.486 39.000 0.041 0.000 1.086 193 F HN 0.596 nan 8.300 nan 0.000 0.587 194 G N 0.362 109.257 108.800 0.159 0.000 2.656 194 G HA2 -0.400 3.553 3.960 -0.012 0.000 0.223 194 G HA3 -0.400 3.553 3.960 -0.012 0.000 0.223 194 G C 1.724 176.734 174.900 0.183 0.000 1.130 194 G CA 1.335 46.504 45.100 0.116 0.000 0.758 194 G HN 0.414 nan 8.290 nan 0.000 0.608 195 Y N 1.675 121.994 120.300 0.031 0.000 2.100 195 Y HA -0.424 4.118 4.550 -0.013 0.000 0.267 195 Y C 3.094 179.003 175.900 0.016 0.000 1.250 195 Y CA 2.201 60.310 58.100 0.016 0.000 1.105 195 Y CB 0.028 38.492 38.460 0.007 0.000 0.924 195 Y HN 0.417 nan 8.280 nan 0.000 0.508 196 R N -0.334 120.243 120.500 0.130 0.000 2.275 196 R HA 0.092 4.424 4.340 -0.012 0.000 0.199 196 R C 1.926 178.260 176.300 0.057 0.000 0.989 196 R CA 0.944 57.056 56.100 0.020 0.000 1.016 196 R CB -0.475 29.815 30.300 -0.016 0.000 0.918 196 R HN 0.243 nan 8.270 nan 0.000 0.473 197 G N 1.364 110.223 108.800 0.098 0.000 2.777 197 G HA2 0.100 4.052 3.960 -0.012 0.000 0.211 197 G HA3 0.100 4.052 3.960 -0.012 0.000 0.211 197 G C 0.629 175.577 174.900 0.080 0.000 1.149 197 G CA 0.312 45.462 45.100 0.084 0.000 0.785 197 G HN 0.201 nan 8.290 nan 0.000 0.536 198 V N -0.978 118.994 119.914 0.096 0.000 3.170 198 V HA 0.576 4.689 4.120 -0.012 0.000 0.309 198 V C 1.381 177.504 176.094 0.050 0.000 1.071 198 V CA 0.352 62.698 62.300 0.077 0.000 1.063 198 V CB 1.293 33.168 31.823 0.086 0.000 1.123 198 V HN 0.144 nan 8.190 nan 0.000 0.464 199 S N 0.824 116.536 115.700 0.020 0.000 2.371 199 S HA 0.090 4.553 4.470 -0.012 0.000 0.221 199 S C 1.016 175.621 174.600 0.007 0.000 1.036 199 S CA 0.565 58.770 58.200 0.008 0.000 0.965 199 S CB -0.413 62.784 63.200 -0.006 0.000 0.845 199 S HN 0.842 nan 8.310 nan 0.000 0.475 200 S N 0.617 116.314 115.700 -0.005 0.000 2.748 200 S HA 0.451 4.914 4.470 -0.012 0.000 0.299 200 S C 0.657 175.286 174.600 0.048 0.000 1.119 200 S CA -0.775 57.429 58.200 0.007 0.000 0.997 200 S CB 0.787 63.975 63.200 -0.020 0.000 1.223 200 S HN 0.177 nan 8.310 nan 0.000 0.541 201 Q N 0.836 120.670 119.800 0.057 0.000 2.274 201 Q HA 0.070 4.403 4.340 -0.012 0.000 0.198 201 Q C 2.074 178.106 176.000 0.053 0.000 0.955 201 Q CA 0.733 56.603 55.803 0.111 0.000 0.859 201 Q CB -0.560 28.237 28.738 0.099 0.000 0.956 201 Q HN 0.866 nan 8.270 nan 0.000 0.516 202 E N 0.045 120.260 120.200 0.025 0.000 2.171 202 E HA -0.178 4.165 4.350 -0.012 0.000 0.197 202 E C 1.320 177.884 176.600 -0.060 0.000 0.997 202 E CA 1.656 58.059 56.400 0.004 0.000 0.810 202 E CB 0.240 29.958 29.700 0.029 0.000 0.738 202 E HN 0.177 nan 8.360 nan 0.000 0.467 203 T N 0.194 114.701 114.554 -0.079 0.000 2.809 203 T HA 0.027 4.370 4.350 -0.012 0.000 0.260 203 T C 1.878 176.532 174.700 -0.076 0.000 1.039 203 T CA 1.072 63.083 62.100 -0.148 0.000 1.141 203 T CB -0.301 68.439 68.868 -0.213 0.000 0.869 203 T HN 0.376 nan 8.240 nan 0.000 0.437 204 A N 1.505 124.305 122.820 -0.035 0.000 1.958 204 A HA -0.029 4.283 4.320 -0.012 0.000 0.221 204 A C 2.535 180.016 177.584 -0.171 0.000 1.178 204 A CA 2.141 54.136 52.037 -0.070 0.000 0.642 204 A CB -1.428 17.541 19.000 -0.052 0.000 0.816 204 A HN 0.520 nan 8.150 nan 0.000 0.453 205 G N -0.104 108.594 108.800 -0.170 0.000 2.433 205 G HA2 -0.109 3.844 3.960 -0.012 0.000 0.216 205 G HA3 -0.109 3.844 3.960 -0.012 0.000 0.216 205 G C 1.308 176.100 174.900 -0.180 0.000 1.186 205 G CA 1.194 46.184 45.100 -0.183 0.000 0.779 205 G HN 0.364 nan 8.290 nan 0.000 0.543 206 I N 2.059 122.506 120.570 -0.204 0.000 2.208 206 I HA -0.044 4.118 4.170 -0.012 0.000 0.245 206 I C 2.995 179.048 176.117 -0.106 0.000 1.097 206 I CA 0.897 62.034 61.300 -0.271 0.000 1.363 206 I CB -1.227 36.587 38.000 -0.311 0.000 1.051 206 I HN 0.186 nan 8.210 nan 0.000 0.413 207 G N -0.252 108.570 108.800 0.036 0.000 2.421 207 G HA2 -0.089 3.863 3.960 -0.012 0.000 0.217 207 G HA3 -0.089 3.863 3.960 -0.012 0.000 0.217 207 G C 1.805 176.669 174.900 -0.060 0.000 1.143 207 G CA 0.719 45.810 45.100 -0.014 0.000 0.784 207 G HN 0.506 nan 8.290 nan 0.000 0.541 208 A N 1.315 124.082 122.820 -0.089 0.000 1.972 208 A HA -0.007 4.306 4.320 -0.012 0.000 0.219 208 A C 2.613 180.160 177.584 -0.061 0.000 1.169 208 A CA 2.278 54.253 52.037 -0.103 0.000 0.635 208 A CB -0.595 18.300 19.000 -0.176 0.000 0.810 208 A HN 0.750 nan 8.150 nan 0.000 0.446 209 S N -0.893 114.757 115.700 -0.084 0.000 2.607 209 S HA 0.364 4.827 4.470 -0.012 0.000 0.224 209 S C 1.359 176.019 174.600 0.100 0.000 0.969 209 S CA 0.779 58.926 58.200 -0.089 0.000 0.927 209 S CB -0.123 63.002 63.200 -0.125 0.000 0.772 209 S HN 0.820 nan 8.310 nan 0.000 0.533 210 A N -0.228 122.652 122.820 0.101 0.000 2.348 210 A HA 0.301 4.614 4.320 -0.012 0.000 0.224 210 A C 1.721 179.352 177.584 0.078 0.000 1.227 210 A CA 0.015 52.129 52.037 0.127 0.000 0.885 210 A CB -0.468 18.529 19.000 -0.005 0.000 0.933 210 A HN 0.704 nan 8.150 nan 0.000 0.506 211 H N -0.305 118.759 119.070 -0.011 0.000 2.460 211 H HA 0.214 4.762 4.556 -0.012 0.000 0.297 211 H C 1.500 176.877 175.328 0.083 0.000 1.023 211 H CA 0.539 56.602 56.048 0.025 0.000 1.321 211 H CB 0.219 29.956 29.762 -0.042 0.000 1.455 211 H HN 0.367 nan 8.280 nan 0.000 0.539 212 L N 1.068 122.384 121.223 0.155 0.000 2.349 212 L HA -0.120 4.212 4.340 -0.012 0.000 0.220 212 L C 2.365 179.318 176.870 0.137 0.000 1.130 212 L CA 0.452 55.388 54.840 0.161 0.000 0.791 212 L CB -0.287 41.857 42.059 0.142 0.000 0.918 212 L HN 0.109 nan 8.230 nan 0.000 0.444 213 V N 0.323 120.255 119.914 0.029 0.000 2.913 213 V HA -0.175 3.938 4.120 -0.012 0.000 0.260 213 V C 1.723 177.625 176.094 -0.320 0.000 1.098 213 V CA 1.457 63.540 62.300 -0.363 0.000 1.121 213 V CB -0.482 31.046 31.823 -0.492 0.000 0.714 213 V HN 0.595 nan 8.190 nan 0.000 0.487 214 N N -1.965 116.601 118.700 -0.224 0.000 2.529 214 N HA 0.195 4.927 4.740 -0.012 0.000 0.231 214 N C 0.156 175.352 175.510 -0.524 0.000 1.072 214 N CA 0.295 53.136 53.050 -0.348 0.000 0.854 214 N CB 0.612 38.945 38.487 -0.257 0.000 1.465 214 N HN 0.398 nan 8.380 nan 0.000 0.452 215 F N 0.761 120.496 119.950 -0.357 0.000 2.639 215 F HA 0.499 5.019 4.527 -0.012 0.000 0.339 215 F C 1.433 177.102 175.800 -0.218 0.000 1.071 215 F CA -0.788 57.028 58.000 -0.306 0.000 0.994 215 F CB 1.598 40.414 39.000 -0.307 0.000 1.341 215 F HN -0.401 nan 8.300 nan 0.000 0.498 216 K N 0.084 120.413 120.400 -0.118 0.000 2.380 216 K HA 0.238 4.550 4.320 -0.012 0.000 0.198 216 K C 0.425 177.126 176.600 0.168 0.000 1.070 216 K CA 0.145 56.388 56.287 -0.074 0.000 1.040 216 K CB 1.030 33.315 32.500 -0.359 0.000 0.903 216 K HN 0.704 nan 8.250 nan 0.000 0.549 217 G N 1.179 110.102 108.800 0.204 0.000 2.320 217 G HA2 0.323 4.275 3.960 -0.012 0.000 0.300 217 G HA3 0.323 4.275 3.960 -0.012 0.000 0.300 217 G C -0.819 173.940 174.900 -0.234 0.000 1.126 217 G CA 0.128 45.400 45.100 0.288 0.000 0.896 217 G HN -0.067 nan 8.290 nan 0.000 0.436 218 T N 0.905 115.295 114.554 -0.274 0.000 2.982 218 T HA 0.333 4.676 4.350 -0.012 0.000 0.321 218 T C -0.311 174.315 174.700 -0.123 0.000 1.229 218 T CA -0.487 61.389 62.100 -0.373 0.000 1.044 218 T CB 2.029 70.807 68.868 -0.150 0.000 1.184 218 T HN 0.311 nan 8.240 nan 0.000 0.477 219 D N 1.078 121.462 120.400 -0.027 0.000 2.388 219 D HA 0.202 4.835 4.640 -0.012 0.000 0.208 219 D C 0.401 176.742 176.300 0.068 0.000 1.035 219 D CA 0.488 54.566 54.000 0.129 0.000 0.875 219 D CB 0.488 41.407 40.800 0.199 0.000 0.984 219 D HN 0.501 nan 8.370 nan 0.000 0.508 220 T N 1.204 115.730 114.554 -0.047 0.000 2.750 220 T HA 0.068 4.411 4.350 -0.012 0.000 0.286 220 T C 1.831 176.384 174.700 -0.246 0.000 0.911 220 T CA -0.166 61.763 62.100 -0.284 0.000 1.130 220 T CB 1.167 69.800 68.868 -0.391 0.000 0.873 220 T HN 0.006 nan 8.240 nan 0.000 0.536 221 V N 2.580 122.386 119.914 -0.180 0.000 2.488 221 V HA 0.005 4.118 4.120 -0.012 0.000 0.246 221 V C 2.624 178.627 176.094 -0.151 0.000 1.046 221 V CA 1.354 63.594 62.300 -0.099 0.000 1.053 221 V CB -1.366 30.460 31.823 0.005 0.000 0.679 221 V HN 0.813 nan 8.190 nan 0.000 0.458 222 A N 1.549 124.222 122.820 -0.244 0.000 2.042 222 A HA -0.104 4.208 4.320 -0.012 0.000 0.222 222 A C 2.381 179.859 177.584 -0.176 0.000 1.167 222 A CA 2.264 54.184 52.037 -0.195 0.000 0.649 222 A CB -1.605 17.229 19.000 -0.277 0.000 0.809 222 A HN 0.807 nan 8.150 nan 0.000 0.457 223 G N 0.728 109.396 108.800 -0.221 0.000 2.476 223 G HA2 -0.257 3.696 3.960 -0.012 0.000 0.218 223 G HA3 -0.257 3.696 3.960 -0.012 0.000 0.218 223 G C 1.480 176.283 174.900 -0.162 0.000 1.164 223 G CA 1.369 46.358 45.100 -0.184 0.000 0.768 223 G HN 0.726 nan 8.290 nan 0.000 0.560 224 I N 0.220 120.702 120.570 -0.147 0.000 2.286 224 I HA 0.114 4.276 4.170 -0.012 0.000 0.245 224 I C 3.112 179.180 176.117 -0.082 0.000 1.104 224 I CA 0.931 62.148 61.300 -0.139 0.000 1.397 224 I CB -0.714 37.207 38.000 -0.131 0.000 1.072 224 I HN 0.153 nan 8.210 nan 0.000 0.417 225 A N 2.117 124.907 122.820 -0.051 0.000 1.896 225 A HA -0.271 4.042 4.320 -0.012 0.000 0.220 225 A C 2.425 180.037 177.584 0.047 0.000 1.206 225 A CA 2.406 54.441 52.037 -0.005 0.000 0.647 225 A CB -1.159 17.846 19.000 0.008 0.000 0.828 225 A HN 0.524 nan 8.150 nan 0.000 0.455 226 L N -0.339 120.922 121.223 0.064 0.000 1.956 226 L HA -0.230 4.102 4.340 -0.012 0.000 0.216 226 L C 2.468 179.468 176.870 0.217 0.000 1.073 226 L CA 2.213 57.168 54.840 0.191 0.000 0.762 226 L CB -0.371 41.723 42.059 0.057 0.000 0.889 226 L HN 0.536 nan 8.230 nan 0.000 0.433 227 I N -0.150 120.426 120.570 0.010 0.000 2.074 227 I HA -0.428 3.735 4.170 -0.012 0.000 0.238 227 I C 2.267 178.435 176.117 0.085 0.000 1.037 227 I CA 2.207 63.458 61.300 -0.082 0.000 1.301 227 I CB -0.558 37.160 38.000 -0.470 0.000 1.016 227 I HN 0.245 nan 8.210 nan 0.000 0.400 228 K N 0.452 120.863 120.400 0.019 0.000 2.519 228 K HA -0.142 4.171 4.320 -0.012 0.000 0.196 228 K C 1.858 178.467 176.600 0.016 0.000 1.041 228 K CA 0.795 57.100 56.287 0.031 0.000 0.954 228 K CB -0.122 32.377 32.500 -0.001 0.000 0.774 228 K HN 0.346 nan 8.250 nan 0.000 0.480 229 K N -0.677 119.738 120.400 0.024 0.000 2.370 229 K HA 0.064 4.377 4.320 -0.012 0.000 0.194 229 K C 0.554 176.959 176.600 -0.326 0.000 1.070 229 K CA 0.357 56.566 56.287 -0.130 0.000 0.998 229 K CB 0.470 32.889 32.500 -0.134 0.000 0.911 229 K HN 0.120 nan 8.250 nan 0.000 0.533 230 Y N -1.730 118.583 120.300 0.021 0.000 2.430 230 Y HA 0.171 4.714 4.550 -0.011 0.000 0.254 230 Y C 0.614 176.335 175.900 -0.299 0.000 1.088 230 Y CA -0.007 58.027 58.100 -0.111 0.000 1.267 230 Y CB 0.890 39.333 38.460 -0.029 0.000 1.204 230 Y HN -0.003 nan 8.280 nan 0.000 0.515 231 Y N -1.224 119.196 120.300 0.200 0.000 2.550 231 Y HA 0.435 4.978 4.550 -0.012 0.000 0.275 231 Y C 1.271 177.273 175.900 0.171 0.000 1.148 231 Y CA -0.062 58.174 58.100 0.227 0.000 1.200 231 Y CB 0.620 39.281 38.460 0.334 0.000 1.299 231 Y HN -0.118 nan 8.280 nan 0.000 0.509 232 G N 1.423 110.374 108.800 0.251 0.000 2.892 232 G HA2 -0.093 3.860 3.960 -0.012 0.000 0.686 232 G HA3 -0.093 3.860 3.960 -0.012 0.000 0.686 232 G C -0.530 174.496 174.900 0.210 0.000 1.244 232 G CA 0.146 45.345 45.100 0.165 0.000 0.947 232 G HN 0.117 nan 8.290 nan 0.000 0.584 233 T N 2.613 117.257 114.554 0.150 0.000 2.886 233 T HA 0.553 4.895 4.350 -0.012 0.000 0.292 233 T C 1.018 175.781 174.700 0.105 0.000 1.012 233 T CA -0.677 61.519 62.100 0.159 0.000 0.982 233 T CB 1.885 70.854 68.868 0.169 0.000 1.018 233 T HN 0.529 nan 8.240 nan 0.000 0.451 234 K N 0.895 121.353 120.400 0.097 0.000 2.262 234 K HA 0.167 4.480 4.320 -0.012 0.000 0.200 234 K C 0.578 177.223 176.600 0.075 0.000 1.049 234 K CA 0.351 56.682 56.287 0.074 0.000 0.979 234 K CB 0.157 32.696 32.500 0.064 0.000 0.773 234 K HN 0.549 nan 8.250 nan 0.000 0.474 235 D N 0.990 121.444 120.400 0.090 0.000 2.364 235 D HA -0.036 4.597 4.640 -0.012 0.000 0.236 235 D C -1.568 174.801 176.300 0.116 0.000 1.221 235 D CA -0.859 53.202 54.000 0.103 0.000 0.891 235 D CB 0.128 41.000 40.800 0.120 0.000 1.190 235 D HN -0.139 nan 8.370 nan 0.000 0.449 236 P HA -0.158 nan 4.420 nan 0.000 0.219 236 P C -0.184 177.216 177.300 0.166 0.000 1.151 236 P CA 1.046 64.250 63.100 0.174 0.000 0.850 236 P CB 0.344 32.186 31.700 0.236 0.000 0.784 237 V N -2.954 117.053 119.914 0.155 0.000 2.705 237 V HA -0.009 4.104 4.120 -0.012 0.000 0.251 237 V C -1.976 174.094 176.094 -0.040 0.000 1.810 237 V CA -0.810 61.467 62.300 -0.038 0.000 0.845 237 V CB 1.877 33.542 31.823 -0.264 0.000 1.357 237 V HN -0.164 nan 8.190 nan 0.000 0.462 238 P HA 0.046 nan 4.420 nan 0.000 0.216 238 P C 0.518 177.828 177.300 0.017 0.000 1.150 238 P CA 1.781 64.894 63.100 0.021 0.000 0.837 238 P CB 0.432 32.106 31.700 -0.042 0.000 0.786 239 G N -2.332 106.355 108.800 -0.187 0.000 2.694 239 G HA2 0.606 4.558 3.960 -0.012 0.000 0.290 239 G HA3 0.606 4.558 3.960 -0.012 0.000 0.290 239 G C -1.850 172.868 174.900 -0.304 0.000 1.386 239 G CA -0.459 44.611 45.100 -0.050 0.000 0.872 239 G HN -0.078 nan 8.290 nan 0.000 0.475 240 Y N -1.024 119.380 120.300 0.173 0.000 2.896 240 Y HA 0.854 5.397 4.550 -0.012 0.000 0.317 240 Y C 0.432 176.471 175.900 0.231 0.000 1.444 240 Y CA -0.702 57.508 58.100 0.183 0.000 1.084 240 Y CB 1.970 40.556 38.460 0.210 0.000 1.382 240 Y HN 0.873 nan 8.280 nan 0.000 0.471 241 S N -0.549 115.375 115.700 0.373 0.000 2.643 241 S HA 0.732 5.195 4.470 -0.012 0.000 0.266 241 S C -2.007 172.663 174.600 0.117 0.000 1.130 241 S CA -0.153 58.218 58.200 0.285 0.000 0.817 241 S CB 0.674 64.026 63.200 0.253 0.000 1.107 241 S HN 1.264 nan 8.310 nan 0.000 0.471 242 V N -0.196 119.717 119.914 -0.002 0.000 3.158 242 V HA 0.926 5.039 4.120 -0.012 0.000 0.311 242 V C -3.024 172.945 176.094 -0.208 0.000 1.181 242 V CA -2.238 60.001 62.300 -0.101 0.000 1.054 242 V CB 0.787 32.527 31.823 -0.139 0.000 1.085 242 V HN 0.750 nan 8.190 nan 0.000 0.446 243 P HA 0.766 nan 4.420 nan 0.000 0.280 243 P C -0.733 176.246 177.300 -0.536 0.000 1.244 243 P CA 0.065 62.785 63.100 -0.633 0.000 0.784 243 P CB 1.256 32.036 31.700 -1.535 0.000 0.913 244 A N 1.766 124.362 122.820 -0.374 0.000 2.569 244 A HA 0.845 5.158 4.320 -0.012 0.000 0.290 244 A C -1.111 176.379 177.584 -0.158 0.000 1.136 244 A CA -0.603 51.280 52.037 -0.256 0.000 0.710 244 A CB 1.341 20.202 19.000 -0.232 0.000 1.303 244 A HN 0.530 nan 8.150 nan 0.000 0.413 245 A N -0.245 122.515 122.820 -0.101 0.000 2.281 245 A HA 0.784 5.096 4.320 -0.012 0.000 0.329 245 A C 0.030 177.553 177.584 -0.101 0.000 1.122 245 A CA 0.167 52.185 52.037 -0.032 0.000 0.850 245 A CB 0.585 19.607 19.000 0.036 0.000 1.207 245 A HN 1.096 nan 8.150 nan 0.000 0.495 246 E N -0.879 119.274 120.200 -0.079 0.000 2.449 246 E HA 0.386 4.728 4.350 -0.012 0.000 0.254 246 E C -0.315 176.184 176.600 -0.168 0.000 0.907 246 E CA -0.706 55.599 56.400 -0.159 0.000 0.840 246 E CB 0.245 29.898 29.700 -0.079 0.000 1.459 246 E HN 0.614 nan 8.360 nan 0.000 0.407 247 H N -0.229 118.843 119.070 0.003 0.000 2.462 247 H HA -0.035 4.514 4.556 -0.012 0.000 0.292 247 H C 2.078 177.423 175.328 0.029 0.000 1.049 247 H CA 1.906 57.953 56.048 -0.002 0.000 1.334 247 H CB 0.305 30.051 29.762 -0.027 0.000 1.404 247 H HN 0.569 nan 8.280 nan 0.000 0.544 248 S N 0.321 116.102 115.700 0.135 0.000 2.446 248 S HA -0.088 4.374 4.470 -0.012 0.000 0.225 248 S C 2.016 176.712 174.600 0.159 0.000 1.016 248 S CA 0.895 59.170 58.200 0.125 0.000 0.943 248 S CB -0.549 62.703 63.200 0.087 0.000 0.786 248 S HN 0.430 nan 8.310 nan 0.000 0.508 249 T N -0.718 113.935 114.554 0.165 0.000 3.284 249 T HA 0.334 4.677 4.350 -0.012 0.000 0.252 249 T C 1.155 176.082 174.700 0.379 0.000 1.144 249 T CA 0.033 62.289 62.100 0.260 0.000 1.021 249 T CB -0.351 68.653 68.868 0.227 0.000 0.984 249 T HN 0.351 nan 8.240 nan 0.000 0.545 250 I N 1.181 121.934 120.570 0.305 0.000 3.990 250 I HA 0.049 4.212 4.170 -0.012 0.000 0.275 250 I C 2.384 178.698 176.117 0.329 0.000 1.157 250 I CA 1.159 62.623 61.300 0.274 0.000 1.338 250 I CB -0.733 37.352 38.000 0.142 0.000 1.588 250 I HN 0.365 nan 8.210 nan 0.000 0.441 251 T N 0.345 115.045 114.554 0.243 0.000 3.007 251 T HA 0.056 4.399 4.350 -0.012 0.000 0.270 251 T C 1.702 176.561 174.700 0.265 0.000 1.107 251 T CA 0.949 63.210 62.100 0.268 0.000 1.118 251 T CB -0.313 68.664 68.868 0.181 0.000 0.889 251 T HN 0.223 nan 8.240 nan 0.000 0.506 252 A N -0.065 122.906 122.820 0.251 0.000 2.239 252 A HA 0.200 4.512 4.320 -0.012 0.000 0.209 252 A C 1.574 179.178 177.584 0.032 0.000 1.171 252 A CA 0.108 52.212 52.037 0.110 0.000 0.768 252 A CB -0.912 18.105 19.000 0.028 0.000 0.790 252 A HN 0.702 nan 8.150 nan 0.000 0.478 253 W N -0.738 120.597 121.300 0.059 0.000 2.812 253 W HA 0.416 5.068 4.660 -0.012 0.000 0.263 253 W C 1.145 177.722 176.519 0.097 0.000 1.284 253 W CA 1.086 58.452 57.345 0.034 0.000 1.430 253 W CB 0.179 29.666 29.460 0.044 0.000 1.088 253 W HN 0.565 nan 8.180 nan 0.000 0.623 254 G N 0.315 109.321 108.800 0.344 0.000 2.592 254 G HA2 -0.171 3.782 3.960 -0.012 0.000 0.685 254 G HA3 -0.171 3.782 3.960 -0.012 0.000 0.685 254 G C 0.434 175.432 174.900 0.164 0.000 1.278 254 G CA -0.419 44.836 45.100 0.259 0.000 0.822 254 G HN -0.195 nan 8.290 nan 0.000 0.652 255 K N -0.000 120.402 120.400 0.004 0.000 2.059 255 K HA -0.131 4.181 4.320 -0.012 0.000 0.212 255 K C 1.347 177.724 176.600 -0.371 0.000 1.050 255 K CA 2.318 58.426 56.287 -0.298 0.000 0.927 255 K CB -0.192 32.139 32.500 -0.281 0.000 0.714 255 K HN 0.640 nan 8.250 nan 0.000 0.447 256 D N -0.324 119.901 120.400 -0.293 0.000 2.460 256 D HA 0.001 4.634 4.640 -0.012 0.000 0.229 256 D C 0.187 176.125 176.300 -0.604 0.000 1.170 256 D CA 0.083 53.828 54.000 -0.425 0.000 0.827 256 D CB 0.094 40.634 40.800 -0.434 0.000 0.973 256 D HN 0.312 nan 8.370 nan 0.000 0.496 257 H N -0.276 118.755 119.070 -0.064 0.000 2.777 257 H HA 0.094 4.643 4.556 -0.012 0.000 0.244 257 H C 1.323 176.555 175.328 -0.161 0.000 1.185 257 H CA -0.194 55.826 56.048 -0.047 0.000 0.945 257 H CB 0.745 30.575 29.762 0.112 0.000 1.994 257 H HN 0.220 nan 8.280 nan 0.000 0.638 258 E N 1.947 122.043 120.200 -0.174 0.000 2.097 258 E HA -0.219 4.124 4.350 -0.012 0.000 0.196 258 E C 2.121 178.278 176.600 -0.738 0.000 1.000 258 E CA 1.402 57.541 56.400 -0.435 0.000 0.804 258 E CB 0.306 29.706 29.700 -0.500 0.000 0.740 258 E HN 0.282 nan 8.360 nan 0.000 0.454 259 K N 0.160 120.234 120.400 -0.543 0.000 2.209 259 K HA -0.177 4.136 4.320 -0.012 0.000 0.204 259 K C 1.427 177.864 176.600 -0.272 0.000 1.048 259 K CA 1.651 57.688 56.287 -0.416 0.000 0.940 259 K CB 0.096 32.449 32.500 -0.246 0.000 0.729 259 K HN 0.106 nan 8.250 nan 0.000 0.451 260 D N 0.435 120.691 120.400 -0.241 0.000 2.117 260 D HA -0.100 4.533 4.640 -0.012 0.000 0.198 260 D C 1.782 177.633 176.300 -0.748 0.000 0.982 260 D CA 1.322 55.150 54.000 -0.286 0.000 0.828 260 D CB -0.066 40.702 40.800 -0.055 0.000 0.967 260 D HN 0.364 nan 8.370 nan 0.000 0.464 261 A N 0.856 123.032 122.820 -1.074 0.000 1.854 261 A HA -0.137 4.176 4.320 -0.012 0.000 0.214 261 A C 2.007 179.391 177.584 -0.334 0.000 1.192 261 A CA 0.698 51.965 52.037 -1.283 0.000 0.611 261 A CB -0.977 17.317 19.000 -1.176 0.000 0.832 261 A HN 0.050 nan 8.150 nan 0.000 0.442 262 F N 0.381 120.098 119.950 -0.388 0.000 2.082 262 F HA -0.269 4.250 4.527 -0.012 0.000 0.298 262 F C 2.385 178.126 175.800 -0.098 0.000 1.091 262 F CA 1.857 59.696 58.000 -0.267 0.000 1.230 262 F CB -0.963 37.614 39.000 -0.705 0.000 0.983 262 F HN 0.524 nan 8.300 nan 0.000 0.485 263 E N -1.329 118.888 120.200 0.029 0.000 2.072 263 E HA -0.244 4.099 4.350 -0.012 0.000 0.190 263 E C 2.084 178.693 176.600 0.015 0.000 0.982 263 E CA 1.032 57.447 56.400 0.025 0.000 0.803 263 E CB -0.306 29.385 29.700 -0.015 0.000 0.755 263 E HN 0.506 nan 8.360 nan 0.000 0.453 264 H N -0.214 118.763 119.070 -0.156 0.000 2.546 264 H HA 0.050 4.599 4.556 -0.012 0.000 0.277 264 H C 1.391 176.732 175.328 0.021 0.000 1.004 264 H CA 1.202 57.209 56.048 -0.068 0.000 1.231 264 H CB 0.137 29.844 29.762 -0.091 0.000 1.382 264 H HN 0.215 nan 8.280 nan 0.000 0.580 265 I N 0.045 120.610 120.570 -0.008 0.000 3.783 265 I HA -0.014 4.149 4.170 -0.012 0.000 0.310 265 I C 0.794 176.979 176.117 0.113 0.000 1.274 265 I CA 0.351 61.694 61.300 0.073 0.000 1.294 265 I CB 0.729 38.852 38.000 0.204 0.000 1.051 265 I HN 0.196 nan 8.210 nan 0.000 0.435 266 V N -3.647 116.306 119.914 0.066 0.000 3.043 266 V HA 0.333 4.446 4.120 -0.012 0.000 0.357 266 V C 0.773 176.864 176.094 -0.004 0.000 1.372 266 V CA 0.059 62.396 62.300 0.062 0.000 1.214 266 V CB -0.393 31.484 31.823 0.089 0.000 1.224 266 V HN 0.152 nan 8.190 nan 0.000 0.507 267 T N -1.551 112.958 114.554 -0.075 0.000 2.980 267 T HA 0.121 4.464 4.350 -0.012 0.000 0.252 267 T C 1.628 176.220 174.700 -0.180 0.000 0.962 267 T CA 0.126 62.170 62.100 -0.093 0.000 0.932 267 T CB 0.397 69.223 68.868 -0.071 0.000 1.188 267 T HN 0.310 nan 8.240 nan 0.000 0.500 268 Q N 0.941 120.548 119.800 -0.321 0.000 1.994 268 Q HA 0.176 4.509 4.340 -0.012 0.000 0.198 268 Q C 0.777 176.411 176.000 -0.610 0.000 0.976 268 Q CA 1.244 56.713 55.803 -0.556 0.000 0.828 268 Q CB -0.325 27.914 28.738 -0.831 0.000 0.894 268 Q HN 0.548 nan 8.270 nan 0.000 0.432 269 F N 1.388 121.293 119.950 -0.075 0.000 2.798 269 F HA 0.082 4.602 4.527 -0.012 0.000 0.291 269 F C 1.856 177.622 175.800 -0.057 0.000 1.174 269 F CA -0.201 57.765 58.000 -0.056 0.000 1.392 269 F CB -0.127 38.840 39.000 -0.055 0.000 0.966 269 F HN 0.002 nan 8.300 nan 0.000 0.509 270 S N -1.307 114.396 115.700 0.005 0.000 2.374 270 S HA -0.257 4.206 4.470 -0.012 0.000 0.227 270 S C 2.167 176.781 174.600 0.024 0.000 1.037 270 S CA 1.433 59.632 58.200 -0.001 0.000 1.024 270 S CB -0.765 62.417 63.200 -0.029 0.000 0.861 270 S HN 0.388 nan 8.310 nan 0.000 0.456 271 S N 1.924 117.643 115.700 0.032 0.000 2.489 271 S HA -0.137 4.326 4.470 -0.012 0.000 0.261 271 S C 1.422 176.057 174.600 0.057 0.000 1.059 271 S CA 1.747 59.978 58.200 0.052 0.000 1.372 271 S CB -1.328 61.924 63.200 0.086 0.000 1.253 271 S HN 0.935 nan 8.310 nan 0.000 0.432 272 V N -1.017 118.953 119.914 0.094 0.000 3.420 272 V HA 0.590 4.703 4.120 -0.012 0.000 0.295 272 V C -2.921 173.174 176.094 0.002 0.000 1.201 272 V CA -2.697 59.626 62.300 0.038 0.000 0.995 272 V CB -0.159 31.685 31.823 0.035 0.000 1.244 272 V HN 0.133 nan 8.190 nan 0.000 0.466 273 P HA 0.431 nan 4.420 nan 0.000 0.272 273 P C -1.034 176.192 177.300 -0.124 0.000 1.223 273 P CA 0.140 63.186 63.100 -0.091 0.000 0.784 273 P CB 0.973 32.605 31.700 -0.113 0.000 0.923 274 V N 1.720 121.544 119.914 -0.150 0.000 2.891 274 V HA 0.446 4.559 4.120 -0.012 0.000 0.304 274 V C -1.038 174.928 176.094 -0.213 0.000 1.171 274 V CA -0.368 61.815 62.300 -0.195 0.000 0.943 274 V CB 2.235 33.992 31.823 -0.110 0.000 1.037 274 V HN 0.437 nan 8.190 nan 0.000 0.427 275 S N 4.238 119.803 115.700 -0.224 0.000 2.451 275 S HA 0.833 5.296 4.470 -0.012 0.000 0.301 275 S C -0.977 173.521 174.600 -0.170 0.000 1.116 275 S CA -0.434 57.640 58.200 -0.210 0.000 1.093 275 S CB 1.347 64.428 63.200 -0.198 0.000 1.017 275 S HN 0.766 nan 8.310 nan 0.000 0.482 276 V N 5.519 125.336 119.914 -0.162 0.000 2.482 276 V HA 0.302 4.414 4.120 -0.012 0.000 0.295 276 V C -0.120 175.946 176.094 -0.046 0.000 1.026 276 V CA -1.062 61.194 62.300 -0.073 0.000 0.856 276 V CB 1.612 33.434 31.823 -0.002 0.000 1.001 276 V HN 0.832 nan 8.190 nan 0.000 0.424 277 V N 2.604 122.488 119.914 -0.051 0.000 2.583 277 V HA 0.119 4.232 4.120 -0.012 0.000 0.302 277 V C 0.864 177.018 176.094 0.100 0.000 1.033 277 V CA 0.717 62.977 62.300 -0.068 0.000 1.194 277 V CB 0.405 32.065 31.823 -0.271 0.000 0.879 277 V HN 0.856 nan 8.190 nan 0.000 0.482 278 S N 2.344 118.110 115.700 0.110 0.000 2.593 278 S HA 0.136 4.599 4.470 -0.012 0.000 0.236 278 S C 0.715 175.418 174.600 0.171 0.000 0.991 278 S CA 0.295 58.647 58.200 0.252 0.000 0.963 278 S CB -0.193 63.153 63.200 0.244 0.000 0.865 278 S HN 1.071 nan 8.310 nan 0.000 0.488 279 D N 0.386 120.849 120.400 0.104 0.000 2.788 279 D HA 0.232 4.865 4.640 -0.012 0.000 0.289 279 D C 0.611 176.927 176.300 0.027 0.000 1.340 279 D CA -0.141 53.895 54.000 0.060 0.000 0.831 279 D CB -0.039 40.792 40.800 0.050 0.000 1.103 279 D HN -0.020 nan 8.370 nan 0.000 0.476 280 S N -0.342 115.314 115.700 -0.073 0.000 2.345 280 S HA -0.009 4.454 4.470 -0.012 0.000 0.220 280 S C 0.084 174.323 174.600 -0.602 0.000 1.031 280 S CA 0.864 58.825 58.200 -0.397 0.000 0.996 280 S CB -0.276 62.497 63.200 -0.712 0.000 0.882 280 S HN 0.479 nan 8.310 nan 0.000 0.445 281 Y N 0.771 121.097 120.300 0.043 0.000 2.512 281 Y HA 0.370 4.913 4.550 -0.012 0.000 0.348 281 Y C -0.161 175.756 175.900 0.027 0.000 0.990 281 Y CA -1.664 56.447 58.100 0.018 0.000 1.033 281 Y CB 0.580 39.031 38.460 -0.014 0.000 1.259 281 Y HN -0.033 nan 8.280 nan 0.000 0.461 282 D N 2.654 123.160 120.400 0.176 0.000 7.919 282 D HA -0.248 4.385 4.640 -0.012 0.000 0.109 282 D C 0.229 176.583 176.300 0.090 0.000 1.117 282 D CA 0.865 54.953 54.000 0.145 0.000 0.840 282 D CB 0.458 41.360 40.800 0.171 0.000 1.658 282 D HN 0.828 nan 8.370 nan 0.000 0.949 283 I N 4.232 124.776 120.570 -0.043 0.000 3.780 283 I HA -0.065 4.098 4.170 -0.012 0.000 0.312 283 I C 0.100 175.993 176.117 -0.372 0.000 1.377 283 I CA -0.056 61.140 61.300 -0.172 0.000 1.224 283 I CB -0.213 37.633 38.000 -0.256 0.000 1.110 283 I HN 0.391 nan 8.210 nan 0.000 0.418 284 Y N -1.354 119.017 120.300 0.119 0.000 2.425 284 Y HA 0.143 4.685 4.550 -0.012 0.000 0.261 284 Y C 2.050 178.019 175.900 0.115 0.000 1.084 284 Y CA -0.235 57.932 58.100 0.111 0.000 1.248 284 Y CB 0.028 38.539 38.460 0.084 0.000 1.270 284 Y HN 0.218 nan 8.280 nan 0.000 0.524 285 N N 0.983 119.811 118.700 0.213 0.000 2.336 285 N HA -0.068 4.665 4.740 -0.012 0.000 0.177 285 N C 1.877 177.463 175.510 0.127 0.000 1.018 285 N CA 1.101 54.238 53.050 0.145 0.000 0.878 285 N CB 0.200 38.746 38.487 0.099 0.000 0.997 285 N HN 0.303 nan 8.380 nan 0.000 0.433 286 A N 0.704 123.610 122.820 0.143 0.000 1.933 286 A HA -0.100 4.213 4.320 -0.012 0.000 0.218 286 A C 2.743 180.483 177.584 0.260 0.000 1.175 286 A CA 1.160 53.316 52.037 0.198 0.000 0.628 286 A CB -0.995 18.214 19.000 0.349 0.000 0.814 286 A HN 0.523 nan 8.150 nan 0.000 0.444 287 C N -1.438 118.049 119.300 0.310 0.000 2.508 287 C HA 0.011 4.464 4.460 -0.012 0.000 0.280 287 C C 2.641 177.847 174.990 0.360 0.000 1.262 287 C CA 1.136 60.395 59.018 0.401 0.000 1.706 287 C CB -0.840 27.055 27.740 0.259 0.000 2.078 287 C HN 0.794 nan 8.230 nan 0.000 0.480 288 E N 0.801 121.162 120.200 0.267 0.000 1.998 288 E HA -0.215 4.128 4.350 -0.012 0.000 0.195 288 E C 2.112 178.819 176.600 0.178 0.000 0.994 288 E CA 1.333 57.864 56.400 0.218 0.000 0.835 288 E CB -0.185 29.622 29.700 0.179 0.000 0.786 288 E HN 0.409 nan 8.360 nan 0.000 0.467 289 K N 0.163 120.641 120.400 0.129 0.000 1.988 289 K HA -0.198 4.115 4.320 -0.012 0.000 0.221 289 K C 2.116 178.762 176.600 0.077 0.000 1.053 289 K CA 2.270 58.606 56.287 0.081 0.000 0.959 289 K CB -0.275 32.251 32.500 0.044 0.000 0.728 289 K HN 0.190 nan 8.250 nan 0.000 0.447 290 I N -0.692 119.903 120.570 0.042 0.000 2.252 290 I HA -0.233 3.930 4.170 -0.012 0.000 0.245 290 I C 2.175 178.329 176.117 0.063 0.000 1.102 290 I CA 1.519 62.805 61.300 -0.023 0.000 1.385 290 I CB -1.455 36.448 38.000 -0.161 0.000 1.064 290 I HN 0.427 nan 8.210 nan 0.000 0.414 291 W N 0.659 122.097 121.300 0.229 0.000 2.588 291 W HA 0.137 4.790 4.660 -0.012 0.000 0.277 291 W C 2.441 179.125 176.519 0.275 0.000 1.221 291 W CA 0.485 57.957 57.345 0.211 0.000 1.355 291 W CB -0.475 29.076 29.460 0.153 0.000 1.083 291 W HN 0.093 nan 8.180 nan 0.000 0.581 292 G N -0.130 108.941 108.800 0.451 0.000 2.920 292 G HA2 0.025 3.978 3.960 -0.012 0.000 0.208 292 G HA3 0.025 3.978 3.960 -0.012 0.000 0.208 292 G C 0.815 175.734 174.900 0.032 0.000 1.159 292 G CA 0.520 45.730 45.100 0.183 0.000 0.784 292 G HN 0.222 nan 8.290 nan 0.000 0.535 293 E N -0.117 120.146 120.200 0.104 0.000 3.688 293 E HA 0.001 4.344 4.350 -0.012 0.000 0.217 293 E C 0.989 177.656 176.600 0.112 0.000 1.289 293 E CA -0.119 56.323 56.400 0.070 0.000 1.408 293 E CB -0.151 29.583 29.700 0.057 0.000 2.370 293 E HN 0.012 nan 8.360 nan 0.000 0.584 294 D N 1.854 122.316 120.400 0.102 0.000 2.205 294 D HA -0.173 4.460 4.640 -0.012 0.000 0.190 294 D C 1.702 178.108 176.300 0.176 0.000 1.002 294 D CA 1.374 55.444 54.000 0.116 0.000 0.848 294 D CB -0.214 40.618 40.800 0.053 0.000 0.975 294 D HN 0.026 nan 8.370 nan 0.000 0.449 295 L N 0.485 121.780 121.223 0.120 0.000 2.591 295 L HA 0.123 4.456 4.340 -0.012 0.000 0.228 295 L C 2.010 178.935 176.870 0.091 0.000 1.133 295 L CA 0.346 55.210 54.840 0.040 0.000 0.880 295 L CB -0.858 41.286 42.059 0.142 0.000 1.033 295 L HN 0.005 nan 8.230 nan 0.000 0.450 296 R N -0.112 120.504 120.500 0.193 0.000 2.332 296 R HA -0.199 4.134 4.340 -0.012 0.000 0.239 296 R C 1.888 178.269 176.300 0.135 0.000 1.160 296 R CA 1.527 57.730 56.100 0.170 0.000 1.020 296 R CB -0.064 30.241 30.300 0.008 0.000 0.859 296 R HN 0.630 nan 8.270 nan 0.000 0.478 297 H N -1.654 117.456 119.070 0.066 0.000 2.604 297 H HA 0.047 4.596 4.556 -0.012 0.000 0.273 297 H C 1.500 176.836 175.328 0.013 0.000 0.971 297 H CA 0.041 56.101 56.048 0.020 0.000 1.249 297 H CB -0.264 29.505 29.762 0.012 0.000 1.449 297 H HN 0.195 nan 8.280 nan 0.000 0.512 298 L N 0.823 121.804 121.223 -0.403 0.000 2.675 298 L HA 0.178 4.511 4.340 -0.012 0.000 0.239 298 L C 1.791 178.599 176.870 -0.103 0.000 1.151 298 L CA 0.287 55.004 54.840 -0.205 0.000 0.905 298 L CB 0.016 41.953 42.059 -0.204 0.000 1.057 298 L HN 0.265 nan 8.230 nan 0.000 0.435 299 I N -1.797 118.713 120.570 -0.100 0.000 3.623 299 I HA -0.052 4.111 4.170 -0.012 0.000 0.253 299 I C 1.948 177.805 176.117 -0.433 0.000 1.144 299 I CA 0.297 61.503 61.300 -0.157 0.000 1.461 299 I CB 0.508 38.496 38.000 -0.019 0.000 1.575 299 I HN -0.176 nan 8.210 nan 0.000 0.445 300 V N 1.923 121.535 119.914 -0.504 0.000 2.794 300 V HA -0.199 3.914 4.120 -0.012 0.000 0.260 300 V C 1.783 177.523 176.094 -0.592 0.000 1.103 300 V CA 1.813 63.484 62.300 -1.048 0.000 1.125 300 V CB -1.373 30.256 31.823 -0.324 0.000 0.702 300 V HN 0.678 nan 8.190 nan 0.000 0.494 301 S N -0.302 115.221 115.700 -0.295 0.000 2.677 301 S HA 0.329 4.792 4.470 -0.012 0.000 0.246 301 S C 0.407 174.936 174.600 -0.118 0.000 1.005 301 S CA -0.505 57.613 58.200 -0.136 0.000 1.062 301 S CB -0.134 63.037 63.200 -0.049 0.000 0.778 301 S HN 0.599 nan 8.310 nan 0.000 0.461 302 R N 0.799 121.197 120.500 -0.170 0.000 2.923 302 R HA 0.657 4.990 4.340 -0.012 0.000 0.252 302 R C -0.415 175.890 176.300 0.008 0.000 1.130 302 R CA -0.649 55.406 56.100 -0.074 0.000 1.043 302 R CB 1.426 31.677 30.300 -0.083 0.000 1.205 302 R HN 0.417 nan 8.270 nan 0.000 0.495 303 S N -1.269 114.446 115.700 0.025 0.000 2.651 303 S HA 0.102 4.564 4.470 -0.012 0.000 0.291 303 S C 1.119 175.750 174.600 0.051 0.000 1.141 303 S CA -0.503 57.724 58.200 0.045 0.000 1.027 303 S CB 1.642 64.853 63.200 0.018 0.000 1.043 303 S HN 0.780 nan 8.310 nan 0.000 0.530 304 T N -1.876 112.703 114.554 0.042 0.000 3.007 304 T HA -0.025 4.317 4.350 -0.012 0.000 0.270 304 T C 1.063 175.749 174.700 -0.023 0.000 1.107 304 T CA 1.084 63.188 62.100 0.008 0.000 1.118 304 T CB -0.487 68.377 68.868 -0.006 0.000 0.889 304 T HN 0.683 nan 8.240 nan 0.000 0.506 305 E N 0.699 120.887 120.200 -0.020 0.000 2.318 305 E HA 0.268 4.610 4.350 -0.012 0.000 0.193 305 E C 0.841 177.414 176.600 -0.046 0.000 0.998 305 E CA 0.433 56.809 56.400 -0.040 0.000 0.859 305 E CB 0.226 29.908 29.700 -0.030 0.000 0.812 305 E HN 0.618 nan 8.360 nan 0.000 0.492 306 A N 2.664 125.465 122.820 -0.031 0.000 3.204 306 A HA 0.297 4.610 4.320 -0.012 0.000 0.327 306 A C -2.528 175.029 177.584 -0.044 0.000 0.998 306 A CA -1.314 50.700 52.037 -0.037 0.000 0.891 306 A CB 0.262 19.252 19.000 -0.016 0.000 1.061 306 A HN -0.054 nan 8.150 nan 0.000 0.478 307 P HA 0.206 nan 4.420 nan 0.000 0.274 307 P C -0.377 176.841 177.300 -0.138 0.000 1.246 307 P CA -0.271 62.781 63.100 -0.080 0.000 0.795 307 P CB 1.125 32.761 31.700 -0.106 0.000 1.006 308 L N 2.357 123.465 121.223 -0.191 0.000 2.288 308 L HA 0.295 4.627 4.340 -0.012 0.000 0.283 308 L C -0.363 176.285 176.870 -0.369 0.000 1.072 308 L CA -0.471 54.182 54.840 -0.312 0.000 0.862 308 L CB -0.771 41.020 42.059 -0.448 0.000 1.245 308 L HN 0.113 nan 8.230 nan 0.000 0.432 309 I N 5.537 125.921 120.570 -0.309 0.000 2.441 309 I HA 0.176 4.339 4.170 -0.012 0.000 0.287 309 I C 0.312 176.218 176.117 -0.351 0.000 1.049 309 I CA -0.144 60.977 61.300 -0.298 0.000 1.381 309 I CB 0.970 38.833 38.000 -0.228 0.000 1.409 309 I HN 0.431 nan 8.210 nan 0.000 0.523 310 I N 7.073 127.425 120.570 -0.363 0.000 2.392 310 I HA 0.333 4.496 4.170 -0.012 0.000 0.295 310 I C 0.433 176.421 176.117 -0.214 0.000 0.985 310 I CA -0.527 60.564 61.300 -0.348 0.000 1.221 310 I CB 1.284 39.032 38.000 -0.420 0.000 1.366 310 I HN 0.480 nan 8.210 nan 0.000 0.467 311 R N 7.392 127.805 120.500 -0.146 0.000 2.412 311 R HA 0.412 4.745 4.340 -0.012 0.000 0.304 311 R C -2.591 173.684 176.300 -0.042 0.000 1.066 311 R CA -1.453 54.594 56.100 -0.087 0.000 0.923 311 R CB 1.841 32.096 30.300 -0.076 0.000 1.156 311 R HN 0.331 nan 8.270 nan 0.000 0.513 312 P HA 0.182 nan 4.420 nan 0.000 0.281 312 P C -0.855 176.463 177.300 0.030 0.000 1.249 312 P CA -0.214 62.873 63.100 -0.022 0.000 0.810 312 P CB 1.357 33.022 31.700 -0.059 0.000 1.008 313 D N -0.032 120.402 120.400 0.058 0.000 3.216 313 D HA 0.163 4.796 4.640 -0.012 0.000 0.348 313 D C 0.144 176.490 176.300 0.076 0.000 1.407 313 D CA -0.078 53.983 54.000 0.102 0.000 0.744 313 D CB 0.212 41.123 40.800 0.186 0.000 1.264 313 D HN 0.003 nan 8.370 nan 0.000 0.543 314 S N -1.095 114.633 115.700 0.047 0.000 3.145 314 S HA 0.751 5.214 4.470 -0.012 0.000 0.174 314 S C 0.682 175.311 174.600 0.049 0.000 0.981 314 S CA 0.015 58.239 58.200 0.040 0.000 1.620 314 S CB 0.461 63.675 63.200 0.023 0.000 0.569 314 S HN 0.341 nan 8.310 nan 0.000 0.523 315 G N 1.080 109.916 108.800 0.060 0.000 2.760 315 G HA2 0.522 4.475 3.960 -0.012 0.000 0.285 315 G HA3 0.522 4.475 3.960 -0.012 0.000 0.285 315 G C -0.966 173.973 174.900 0.065 0.000 1.496 315 G CA -0.473 44.663 45.100 0.060 0.000 1.026 315 G HN 0.699 nan 8.290 nan 0.000 0.536 316 N N 2.539 121.270 118.700 0.052 0.000 2.468 316 N HA -0.112 4.621 4.740 -0.012 0.000 0.274 316 N C -1.956 173.586 175.510 0.052 0.000 1.380 316 N CA 0.125 53.205 53.050 0.048 0.000 0.782 316 N CB 0.247 38.766 38.487 0.054 0.000 0.898 316 N HN 0.303 nan 8.380 nan 0.000 0.496 317 P HA -0.229 nan 4.420 nan 0.000 0.216 317 P C 1.555 178.890 177.300 0.058 0.000 1.157 317 P CA 0.825 63.957 63.100 0.053 0.000 0.880 317 P CB 0.159 31.882 31.700 0.038 0.000 0.791 318 L N -0.331 120.919 121.223 0.045 0.000 1.973 318 L HA -0.171 4.162 4.340 -0.012 0.000 0.208 318 L C 1.716 178.620 176.870 0.056 0.000 1.073 318 L CA 2.161 57.029 54.840 0.047 0.000 0.746 318 L CB -1.076 41.004 42.059 0.034 0.000 0.891 318 L HN -0.044 nan 8.230 nan 0.000 0.433 319 D N -0.421 120.016 120.400 0.061 0.000 2.149 319 D HA -0.203 4.430 4.640 -0.012 0.000 0.194 319 D C 1.989 178.351 176.300 0.104 0.000 1.001 319 D CA 2.007 56.052 54.000 0.075 0.000 0.849 319 D CB -0.297 40.548 40.800 0.074 0.000 0.939 319 D HN 0.404 nan 8.370 nan 0.000 0.449 320 T N 0.270 114.889 114.554 0.108 0.000 2.770 320 T HA -0.055 4.288 4.350 -0.012 0.000 0.263 320 T C 2.328 177.066 174.700 0.064 0.000 1.039 320 T CA 0.652 62.830 62.100 0.130 0.000 1.142 320 T CB -0.429 68.487 68.868 0.080 0.000 0.868 320 T HN -0.026 nan 8.240 nan 0.000 0.435 321 V N 2.127 122.050 119.914 0.015 0.000 2.233 321 V HA -0.182 3.930 4.120 -0.012 0.000 0.247 321 V C 2.587 178.616 176.094 -0.108 0.000 1.050 321 V CA 1.673 63.935 62.300 -0.064 0.000 1.010 321 V CB -0.899 30.892 31.823 -0.054 0.000 0.637 321 V HN 0.439 nan 8.190 nan 0.000 0.444 322 L N -0.362 120.832 121.223 -0.049 0.000 2.051 322 L HA -0.313 4.020 4.340 -0.012 0.000 0.214 322 L C 2.568 179.441 176.870 0.006 0.000 1.076 322 L CA 2.400 57.221 54.840 -0.032 0.000 0.758 322 L CB -0.733 41.369 42.059 0.072 0.000 0.890 322 L HN 0.354 nan 8.230 nan 0.000 0.433 323 K N -0.001 120.447 120.400 0.080 0.000 2.007 323 K HA -0.110 4.202 4.320 -0.012 0.000 0.206 323 K C 2.086 178.786 176.600 0.167 0.000 1.047 323 K CA 0.988 57.362 56.287 0.146 0.000 0.937 323 K CB -0.048 32.578 32.500 0.210 0.000 0.718 323 K HN -0.020 nan 8.250 nan 0.000 0.438 324 V N 1.834 121.844 119.914 0.159 0.000 2.317 324 V HA -0.296 3.817 4.120 -0.012 0.000 0.251 324 V C 2.277 178.338 176.094 -0.056 0.000 1.065 324 V CA 1.810 64.145 62.300 0.059 0.000 1.049 324 V CB -0.329 31.459 31.823 -0.057 0.000 0.651 324 V HN 0.355 nan 8.190 nan 0.000 0.450 325 L N -0.326 120.762 121.223 -0.225 0.000 2.083 325 L HA -0.196 4.136 4.340 -0.012 0.000 0.209 325 L C 2.335 179.088 176.870 -0.194 0.000 1.083 325 L CA 1.951 56.489 54.840 -0.503 0.000 0.752 325 L CB -0.546 40.799 42.059 -1.190 0.000 0.899 325 L HN 0.409 nan 8.230 nan 0.000 0.433 326 D N 0.009 120.420 120.400 0.018 0.000 2.144 326 D HA -0.177 4.456 4.640 -0.012 0.000 0.200 326 D C 2.134 178.543 176.300 0.181 0.000 0.978 326 D CA 1.014 55.133 54.000 0.199 0.000 0.833 326 D CB 0.186 41.096 40.800 0.184 0.000 0.961 326 D HN 0.073 nan 8.370 nan 0.000 0.470 327 I N 0.632 121.297 120.570 0.159 0.000 2.179 327 I HA -0.213 3.950 4.170 -0.012 0.000 0.242 327 I C 2.452 178.703 176.117 0.224 0.000 1.088 327 I CA 0.863 62.279 61.300 0.193 0.000 1.357 327 I CB -1.231 36.908 38.000 0.231 0.000 1.051 327 I HN 0.197 nan 8.210 nan 0.000 0.409 328 L N 0.491 121.826 121.223 0.187 0.000 2.201 328 L HA -0.087 4.246 4.340 -0.012 0.000 0.212 328 L C 2.621 179.689 176.870 0.330 0.000 1.105 328 L CA 1.267 56.263 54.840 0.259 0.000 0.775 328 L CB -1.171 40.891 42.059 0.004 0.000 0.913 328 L HN 0.301 nan 8.230 nan 0.000 0.440 329 G N 0.498 109.471 108.800 0.290 0.000 2.408 329 G HA2 -0.206 3.747 3.960 -0.012 0.000 0.217 329 G HA3 -0.206 3.747 3.960 -0.012 0.000 0.217 329 G C 1.688 176.748 174.900 0.267 0.000 1.150 329 G CA 0.320 45.635 45.100 0.358 0.000 0.776 329 G HN 0.355 nan 8.290 nan 0.000 0.542 330 K N -0.185 120.353 120.400 0.229 0.000 2.228 330 K HA 0.075 4.388 4.320 -0.012 0.000 0.202 330 K C 1.943 178.619 176.600 0.127 0.000 1.051 330 K CA 0.658 57.041 56.287 0.161 0.000 0.960 330 K CB 0.076 32.660 32.500 0.140 0.000 0.743 330 K HN 0.014 nan 8.250 nan 0.000 0.458 331 K N -0.288 120.218 120.400 0.177 0.000 2.361 331 K HA 0.220 4.533 4.320 -0.012 0.000 0.194 331 K C -0.137 176.277 176.600 -0.310 0.000 1.032 331 K CA 0.392 56.666 56.287 -0.022 0.000 1.048 331 K CB 0.367 32.887 32.500 0.034 0.000 0.842 331 K HN -0.081 nan 8.250 nan 0.000 0.526 332 F N -0.201 119.821 119.950 0.121 0.000 2.631 332 F HA 0.394 4.914 4.527 -0.012 0.000 0.328 332 F C -2.219 173.643 175.800 0.104 0.000 1.067 332 F CA -2.960 55.118 58.000 0.129 0.000 0.969 332 F CB 0.859 39.942 39.000 0.138 0.000 1.332 332 F HN -0.334 nan 8.300 nan 0.000 0.490 333 P HA 0.192 nan 4.420 nan 0.000 0.271 333 P C -0.914 176.460 177.300 0.123 0.000 1.380 333 P CA -0.178 63.017 63.100 0.158 0.000 0.992 333 P CB 0.046 31.829 31.700 0.139 0.000 1.230 334 V N 1.614 121.601 119.914 0.123 0.000 2.546 334 V HA 0.651 4.764 4.120 -0.012 0.000 0.284 334 V C 0.562 176.682 176.094 0.043 0.000 1.050 334 V CA -0.517 61.846 62.300 0.105 0.000 0.981 334 V CB 1.179 33.085 31.823 0.137 0.000 0.990 334 V HN 0.499 nan 8.190 nan 0.000 0.474 335 S N 2.596 118.312 115.700 0.025 0.000 2.759 335 S HA 0.731 5.194 4.470 -0.012 0.000 0.310 335 S C -0.689 173.901 174.600 -0.017 0.000 1.123 335 S CA -0.580 57.620 58.200 0.000 0.000 0.959 335 S CB 2.161 65.361 63.200 -0.001 0.000 1.172 335 S HN 1.065 nan 8.310 nan 0.000 0.539 336 E N 1.077 121.263 120.200 -0.024 0.000 2.265 336 E HA 0.298 4.640 4.350 -0.012 0.000 0.262 336 E C -0.695 175.895 176.600 -0.017 0.000 0.889 336 E CA -0.841 55.538 56.400 -0.036 0.000 0.789 336 E CB 0.902 30.558 29.700 -0.073 0.000 1.221 336 E HN 0.796 nan 8.360 nan 0.000 0.414 337 N N 2.247 120.954 118.700 0.012 0.000 2.354 337 N HA -0.050 4.683 4.740 -0.012 0.000 0.246 337 N C 0.740 176.255 175.510 0.009 0.000 1.285 337 N CA 0.205 53.269 53.050 0.024 0.000 0.925 337 N CB 0.853 39.377 38.487 0.061 0.000 1.174 337 N HN 0.473 nan 8.380 nan 0.000 0.478 338 S N -0.991 114.717 115.700 0.013 0.000 2.559 338 S HA -0.113 4.350 4.470 -0.012 0.000 0.250 338 S C 0.901 175.501 174.600 -0.001 0.000 0.977 338 S CA 0.682 58.883 58.200 0.001 0.000 0.958 338 S CB -0.190 63.015 63.200 0.008 0.000 0.751 338 S HN 0.522 nan 8.310 nan 0.000 0.534 339 K N 0.052 120.465 120.400 0.022 0.000 2.367 339 K HA 0.296 4.609 4.320 -0.012 0.000 0.195 339 K C 1.526 177.980 176.600 -0.243 0.000 1.060 339 K CA 0.725 57.023 56.287 0.019 0.000 1.022 339 K CB 0.306 32.976 32.500 0.283 0.000 0.894 339 K HN 0.523 nan 8.250 nan 0.000 0.540 340 G N 0.966 109.622 108.800 -0.239 0.000 2.201 340 G HA2 -0.237 3.716 3.960 -0.012 0.000 0.212 340 G HA3 -0.237 3.716 3.960 -0.012 0.000 0.212 340 G C -0.272 174.357 174.900 -0.452 0.000 0.994 340 G CA -0.331 44.544 45.100 -0.376 0.000 0.644 340 G HN 0.205 nan 8.290 nan 0.000 0.508 341 Y N 1.429 121.692 120.300 -0.063 0.000 2.299 341 Y HA 0.587 5.130 4.550 -0.012 0.000 0.326 341 Y C 0.949 176.782 175.900 -0.112 0.000 1.164 341 Y CA -0.616 57.434 58.100 -0.084 0.000 1.234 341 Y CB 0.846 39.301 38.460 -0.008 0.000 1.219 341 Y HN 0.026 nan 8.280 nan 0.000 0.497 342 K N 2.484 122.820 120.400 -0.106 0.000 2.295 342 K HA 0.416 4.729 4.320 -0.012 0.000 0.270 342 K C -1.155 175.490 176.600 0.074 0.000 1.011 342 K CA -0.343 55.834 56.287 -0.182 0.000 0.953 342 K CB 0.504 32.601 32.500 -0.670 0.000 0.956 342 K HN 0.369 nan 8.250 nan 0.000 0.477 343 L N 2.225 123.507 121.223 0.097 0.000 2.371 343 L HA 0.493 4.825 4.340 -0.012 0.000 0.262 343 L C -1.349 175.603 176.870 0.136 0.000 1.006 343 L CA -0.719 54.207 54.840 0.144 0.000 0.818 343 L CB 1.549 43.647 42.059 0.065 0.000 1.354 343 L HN 0.558 nan 8.230 nan 0.000 0.415 344 L N 3.706 124.981 121.223 0.086 0.000 2.416 344 L HA 0.547 4.880 4.340 -0.012 0.000 0.262 344 L C -2.005 174.780 176.870 -0.142 0.000 1.093 344 L CA -1.888 52.947 54.840 -0.009 0.000 0.801 344 L CB 1.055 43.055 42.059 -0.098 0.000 1.191 344 L HN 0.498 nan 8.230 nan 0.000 0.459 345 P HA 0.068 nan 4.420 nan 0.000 0.271 345 P C -2.112 174.796 177.300 -0.653 0.000 1.226 345 P CA -1.313 61.475 63.100 -0.521 0.000 0.765 345 P CB 0.363 31.578 31.700 -0.808 0.000 0.835 346 P HA -0.206 nan 4.420 nan 0.000 0.220 346 P C 0.775 177.966 177.300 -0.180 0.000 1.146 346 P CA 1.817 64.779 63.100 -0.230 0.000 0.816 346 P CB -0.562 31.066 31.700 -0.120 0.000 0.764 347 Y N -1.969 118.285 120.300 -0.076 0.000 2.457 347 Y HA 0.576 5.119 4.550 -0.012 0.000 0.263 347 Y C 0.549 176.337 175.900 -0.187 0.000 1.164 347 Y CA -1.594 56.443 58.100 -0.105 0.000 1.274 347 Y CB -0.643 37.779 38.460 -0.062 0.000 1.097 347 Y HN -0.179 nan 8.280 nan 0.000 0.523 348 L N 1.790 122.928 121.223 -0.142 0.000 2.438 348 L HA 0.694 5.027 4.340 -0.012 0.000 0.270 348 L C -1.067 175.628 176.870 -0.291 0.000 0.972 348 L CA -1.211 53.477 54.840 -0.254 0.000 0.831 348 L CB 1.644 43.462 42.059 -0.401 0.000 1.273 348 L HN 0.159 nan 8.230 nan 0.000 0.405 349 R N 3.020 123.342 120.500 -0.296 0.000 2.810 349 R HA 0.872 5.205 4.340 -0.012 0.000 0.266 349 R C -1.721 174.404 176.300 -0.291 0.000 1.061 349 R CA -1.047 54.894 56.100 -0.265 0.000 0.943 349 R CB 2.237 32.411 30.300 -0.210 0.000 1.237 349 R HN 0.384 nan 8.270 nan 0.000 0.459 350 V N 1.721 121.472 119.914 -0.273 0.000 2.925 350 V HA 0.607 4.720 4.120 -0.012 0.000 0.311 350 V C -0.601 175.322 176.094 -0.285 0.000 1.104 350 V CA -0.854 61.281 62.300 -0.276 0.000 0.954 350 V CB 2.292 33.945 31.823 -0.284 0.000 1.022 350 V HN 0.694 nan 8.190 nan 0.000 0.427 351 I N 0.008 120.433 120.570 -0.242 0.000 2.569 351 I HA 0.613 4.776 4.170 -0.012 0.000 0.290 351 I C -0.815 175.211 176.117 -0.151 0.000 1.088 351 I CA -0.691 60.464 61.300 -0.241 0.000 1.047 351 I CB 2.183 40.097 38.000 -0.143 0.000 1.237 351 I HN 0.396 nan 8.210 nan 0.000 0.421 352 Q N 4.180 123.888 119.800 -0.153 0.000 2.377 352 Q HA 0.374 4.706 4.340 -0.012 0.000 0.249 352 Q C 0.598 176.649 176.000 0.085 0.000 1.005 352 Q CA 0.059 55.885 55.803 0.039 0.000 0.912 352 Q CB 1.813 30.688 28.738 0.228 0.000 1.223 352 Q HN 1.058 nan 8.270 nan 0.000 0.459 353 G N 2.327 111.193 108.800 0.111 0.000 3.159 353 G HA2 -0.010 3.943 3.960 -0.012 0.000 0.232 353 G HA3 -0.010 3.943 3.960 -0.012 0.000 0.232 353 G C 0.051 175.066 174.900 0.192 0.000 1.116 353 G CA -0.032 45.173 45.100 0.176 0.000 0.767 353 G HN 0.507 nan 8.290 nan 0.000 0.547 354 D N -0.571 119.908 120.400 0.132 0.000 2.757 354 D HA 0.428 5.061 4.640 -0.012 0.000 0.249 354 D C 0.689 177.028 176.300 0.066 0.000 1.168 354 D CA 0.025 54.093 54.000 0.113 0.000 0.870 354 D CB 1.445 42.321 40.800 0.127 0.000 1.411 354 D HN 0.326 nan 8.370 nan 0.000 0.525 355 G N 2.179 111.005 108.800 0.043 0.000 2.132 355 G HA2 -0.174 3.779 3.960 -0.012 0.000 0.228 355 G HA3 -0.174 3.779 3.960 -0.012 0.000 0.228 355 G C -0.213 174.680 174.900 -0.012 0.000 1.000 355 G CA 0.167 45.280 45.100 0.021 0.000 0.693 355 G HN 0.519 nan 8.290 nan 0.000 0.515 356 V N 1.996 121.888 119.914 -0.036 0.000 2.384 356 V HA 0.660 4.773 4.120 -0.012 0.000 0.287 356 V C -0.170 175.857 176.094 -0.111 0.000 1.020 356 V CA 0.019 62.258 62.300 -0.101 0.000 0.850 356 V CB 1.652 33.396 31.823 -0.131 0.000 0.987 356 V HN 0.571 nan 8.190 nan 0.000 0.436 357 D N 3.437 123.769 120.400 -0.114 0.000 2.592 357 D HA 0.307 4.940 4.640 -0.012 0.000 0.263 357 D C 0.779 177.017 176.300 -0.103 0.000 1.132 357 D CA -0.888 53.063 54.000 -0.081 0.000 0.996 357 D CB 1.437 42.216 40.800 -0.035 0.000 1.442 357 D HN 0.250 nan 8.370 nan 0.000 0.486 358 I N 0.527 121.063 120.570 -0.056 0.000 2.194 358 I HA -0.263 3.900 4.170 -0.012 0.000 0.246 358 I C 1.297 177.361 176.117 -0.089 0.000 1.093 358 I CA 1.768 63.029 61.300 -0.064 0.000 1.355 358 I CB -0.535 37.468 38.000 0.004 0.000 1.046 358 I HN 0.336 nan 8.210 nan 0.000 0.413 359 N N -0.113 118.550 118.700 -0.061 0.000 2.084 359 N HA -0.146 4.586 4.740 -0.012 0.000 0.190 359 N C 1.840 177.297 175.510 -0.089 0.000 1.030 359 N CA 2.128 55.139 53.050 -0.065 0.000 0.849 359 N CB -0.593 37.873 38.487 -0.035 0.000 1.012 359 N HN 0.409 nan 8.380 nan 0.000 0.423 360 T N 1.866 116.363 114.554 -0.096 0.000 2.951 360 T HA -0.032 4.311 4.350 -0.012 0.000 0.268 360 T C 1.964 176.551 174.700 -0.188 0.000 1.073 360 T CA 0.161 62.194 62.100 -0.112 0.000 1.134 360 T CB -0.158 68.658 68.868 -0.087 0.000 0.884 360 T HN 0.057 nan 8.240 nan 0.000 0.479 361 L N 1.604 122.669 121.223 -0.264 0.000 1.970 361 L HA -0.159 4.174 4.340 -0.012 0.000 0.212 361 L C 2.608 179.265 176.870 -0.356 0.000 1.071 361 L CA 2.018 56.594 54.840 -0.439 0.000 0.751 361 L CB -0.801 40.999 42.059 -0.431 0.000 0.889 361 L HN 0.140 nan 8.230 nan 0.000 0.432 362 Q N 0.025 119.670 119.800 -0.259 0.000 2.133 362 Q HA -0.293 4.040 4.340 -0.012 0.000 0.208 362 Q C 2.050 177.910 176.000 -0.234 0.000 0.991 362 Q CA 2.457 58.114 55.803 -0.243 0.000 0.867 362 Q CB -0.358 28.295 28.738 -0.141 0.000 0.911 362 Q HN 0.660 nan 8.270 nan 0.000 0.417 363 E N -0.700 119.404 120.200 -0.160 0.000 2.085 363 E HA -0.182 4.161 4.350 -0.012 0.000 0.194 363 E C 1.813 178.351 176.600 -0.104 0.000 0.994 363 E CA 1.248 57.585 56.400 -0.105 0.000 0.801 363 E CB -0.108 29.550 29.700 -0.070 0.000 0.743 363 E HN 0.400 nan 8.360 nan 0.000 0.453 364 I N 0.669 121.162 120.570 -0.129 0.000 2.133 364 I HA -0.195 3.968 4.170 -0.012 0.000 0.238 364 I C 2.730 178.811 176.117 -0.060 0.000 1.074 364 I CA 1.001 62.269 61.300 -0.053 0.000 1.342 364 I CB -1.654 36.354 38.000 0.013 0.000 1.053 364 I HN 0.078 nan 8.210 nan 0.000 0.404 365 V N -0.827 118.974 119.914 -0.187 0.000 2.392 365 V HA -0.179 3.933 4.120 -0.012 0.000 0.249 365 V C 2.384 178.266 176.094 -0.354 0.000 1.059 365 V CA 1.756 63.884 62.300 -0.287 0.000 1.051 365 V CB -0.908 30.566 31.823 -0.582 0.000 0.658 365 V HN 0.304 nan 8.190 nan 0.000 0.455 366 E N 1.558 121.507 120.200 -0.418 0.000 2.150 366 E HA -0.078 4.265 4.350 -0.012 0.000 0.193 366 E C 2.233 178.873 176.600 0.068 0.000 0.985 366 E CA 1.581 57.933 56.400 -0.079 0.000 0.814 366 E CB -0.522 29.151 29.700 -0.045 0.000 0.752 366 E HN 0.691 nan 8.360 nan 0.000 0.466 367 G N 0.107 108.926 108.800 0.031 0.000 2.430 367 G HA2 -0.165 3.788 3.960 -0.012 0.000 0.216 367 G HA3 -0.165 3.788 3.960 -0.012 0.000 0.216 367 G C 1.668 176.655 174.900 0.144 0.000 1.146 367 G CA 0.246 45.397 45.100 0.084 0.000 0.793 367 G HN 0.163 nan 8.290 nan 0.000 0.537 368 M N 0.606 120.290 119.600 0.140 0.000 2.213 368 M HA -0.028 4.445 4.480 -0.012 0.000 0.263 368 M C 2.514 178.995 176.300 0.302 0.000 1.062 368 M CA 1.613 57.053 55.300 0.232 0.000 1.105 368 M CB -0.061 32.645 32.600 0.177 0.000 1.385 368 M HN 0.388 nan 8.290 nan 0.000 0.417 369 K N -0.501 120.045 120.400 0.244 0.000 2.356 369 K HA -0.037 4.276 4.320 -0.012 0.000 0.195 369 K C 1.442 178.214 176.600 0.286 0.000 1.037 369 K CA 0.559 57.003 56.287 0.261 0.000 1.014 369 K CB 0.051 32.668 32.500 0.194 0.000 0.815 369 K HN 0.325 nan 8.250 nan 0.000 0.507 370 Q N 0.463 120.396 119.800 0.221 0.000 2.311 370 Q HA 0.057 4.390 4.340 -0.012 0.000 0.203 370 Q C 1.335 177.425 176.000 0.151 0.000 0.954 370 Q CA 0.774 56.678 55.803 0.169 0.000 0.885 370 Q CB 0.360 29.179 28.738 0.134 0.000 0.963 370 Q HN 0.204 nan 8.270 nan 0.000 0.471 371 K N 0.055 120.570 120.400 0.192 0.000 2.356 371 K HA 0.045 4.358 4.320 -0.012 0.000 0.195 371 K C 0.128 176.758 176.600 0.051 0.000 1.037 371 K CA 0.363 56.753 56.287 0.172 0.000 1.014 371 K CB 0.698 33.402 32.500 0.341 0.000 0.815 371 K HN -0.042 nan 8.250 nan 0.000 0.507 372 K N -0.676 119.820 120.400 0.161 0.000 3.304 372 K HA -0.120 4.193 4.320 -0.012 0.000 0.274 372 K C -1.363 175.303 176.600 0.110 0.000 1.258 372 K CA 0.442 56.851 56.287 0.204 0.000 0.811 372 K CB -1.995 30.459 32.500 -0.076 0.000 1.453 372 K HN 0.176 nan 8.250 nan 0.000 0.527 373 W N 1.469 122.902 121.300 0.222 0.000 2.278 373 W HA 0.335 4.988 4.660 -0.012 0.000 0.317 373 W C 0.942 177.497 176.519 0.060 0.000 1.030 373 W CA -0.537 56.886 57.345 0.130 0.000 1.334 373 W CB 1.359 30.862 29.460 0.071 0.000 1.215 373 W HN -0.020 nan 8.180 nan 0.000 0.405 374 S N 3.293 119.174 115.700 0.301 0.000 2.953 374 S HA -0.121 4.342 4.470 -0.012 0.000 0.348 374 S C 1.361 176.028 174.600 0.111 0.000 1.215 374 S CA -0.030 58.251 58.200 0.134 0.000 1.019 374 S CB 0.196 63.483 63.200 0.145 0.000 0.726 374 S HN 0.357 nan 8.310 nan 0.000 0.503 375 I N 4.144 124.743 120.570 0.047 0.000 3.164 375 I HA -0.109 4.054 4.170 -0.012 0.000 0.278 375 I C 1.842 177.984 176.117 0.041 0.000 1.320 375 I CA 1.098 62.445 61.300 0.077 0.000 1.422 375 I CB -1.476 36.599 38.000 0.125 0.000 1.066 375 I HN 0.734 nan 8.210 nan 0.000 0.503 376 E N 0.143 120.364 120.200 0.034 0.000 2.299 376 E HA -0.055 4.288 4.350 -0.012 0.000 0.193 376 E C 1.359 177.937 176.600 -0.037 0.000 0.998 376 E CA 0.289 56.692 56.400 0.005 0.000 0.851 376 E CB -0.238 29.473 29.700 0.017 0.000 0.795 376 E HN 0.476 nan 8.360 nan 0.000 0.492 377 N N 1.167 119.851 118.700 -0.028 0.000 2.512 377 N HA -0.028 4.704 4.740 -0.012 0.000 0.183 377 N C -0.033 175.369 175.510 -0.180 0.000 1.073 377 N CA 0.598 53.595 53.050 -0.089 0.000 0.911 377 N CB 0.578 39.029 38.487 -0.060 0.000 0.964 377 N HN 0.015 nan 8.380 nan 0.000 0.447 378 V N 0.389 120.181 119.914 -0.204 0.000 2.709 378 V HA 0.350 4.463 4.120 -0.012 0.000 0.308 378 V C -0.105 175.708 176.094 -0.467 0.000 1.062 378 V CA -0.830 61.248 62.300 -0.369 0.000 0.901 378 V CB 2.058 33.611 31.823 -0.451 0.000 1.003 378 V HN 0.138 nan 8.190 nan 0.000 0.425 379 S N 4.161 119.543 115.700 -0.530 0.000 2.677 379 S HA 0.894 5.357 4.470 -0.012 0.000 0.304 379 S C -1.158 173.037 174.600 -0.675 0.000 1.108 379 S CA -0.417 57.535 58.200 -0.414 0.000 0.944 379 S CB 1.822 64.940 63.200 -0.137 0.000 1.127 379 S HN 0.328 nan 8.310 nan 0.000 0.511 380 F N -0.430 119.483 119.950 -0.062 0.000 2.679 380 F HA 0.837 5.357 4.527 -0.011 0.000 0.341 380 F C 0.822 176.484 175.800 -0.229 0.000 1.095 380 F CA -0.553 57.368 58.000 -0.132 0.000 1.004 380 F CB 2.032 40.947 39.000 -0.142 0.000 1.388 380 F HN 0.922 nan 8.300 nan 0.000 0.505 381 G N 0.024 108.727 108.800 -0.162 0.000 2.739 381 G HA2 0.484 4.437 3.960 -0.012 0.000 0.292 381 G HA3 0.484 4.437 3.960 -0.012 0.000 0.292 381 G C -1.987 172.519 174.900 -0.656 0.000 1.444 381 G CA -0.650 43.968 45.100 -0.804 0.000 1.144 381 G HN 0.613 nan 8.290 nan 0.000 0.550 382 S N 0.973 116.311 115.700 -0.602 0.000 2.500 382 S HA 0.804 5.267 4.470 -0.012 0.000 0.301 382 S C 0.932 175.407 174.600 -0.208 0.000 1.092 382 S CA 0.287 58.303 58.200 -0.307 0.000 1.030 382 S CB 1.523 64.594 63.200 -0.215 0.000 1.031 382 S HN 1.087 nan 8.310 nan 0.000 0.483 383 G N 2.749 111.528 108.800 -0.034 0.000 3.199 383 G HA2 0.340 4.293 3.960 -0.012 0.000 0.184 383 G HA3 0.340 4.293 3.960 -0.012 0.000 0.184 383 G C 1.217 176.141 174.900 0.040 0.000 1.974 383 G CA 0.274 45.422 45.100 0.079 0.000 0.885 383 G HN 1.016 nan 8.290 nan 0.000 0.575 384 G N 0.520 109.355 108.800 0.058 0.000 2.471 384 G HA2 0.135 4.087 3.960 -0.012 0.000 0.219 384 G HA3 0.135 4.087 3.960 -0.012 0.000 0.219 384 G C 1.876 176.803 174.900 0.045 0.000 1.125 384 G CA 1.602 46.736 45.100 0.057 0.000 0.775 384 G HN 0.744 nan 8.290 nan 0.000 0.548 385 A N 0.402 123.236 122.820 0.023 0.000 1.933 385 A HA 0.065 4.377 4.320 -0.012 0.000 0.218 385 A C 2.295 179.885 177.584 0.010 0.000 1.175 385 A CA 1.592 53.639 52.037 0.017 0.000 0.628 385 A CB -0.311 18.685 19.000 -0.007 0.000 0.814 385 A HN 0.435 nan 8.150 nan 0.000 0.444 386 L N -1.133 120.076 121.223 -0.024 0.000 2.068 386 L HA 0.074 4.407 4.340 -0.012 0.000 0.204 386 L C 1.980 178.837 176.870 -0.022 0.000 1.076 386 L CA 1.555 56.368 54.840 -0.046 0.000 0.753 386 L CB -0.137 41.836 42.059 -0.143 0.000 0.910 386 L HN 0.287 nan 8.230 nan 0.000 0.439 387 L N -1.428 119.798 121.223 0.005 0.000 2.513 387 L HA 0.161 4.494 4.340 -0.012 0.000 0.222 387 L C 0.781 177.748 176.870 0.162 0.000 1.096 387 L CA 0.304 55.183 54.840 0.065 0.000 0.857 387 L CB 0.097 42.189 42.059 0.054 0.000 1.026 387 L HN 0.416 nan 8.230 nan 0.000 0.469 388 Q N -0.378 119.500 119.800 0.129 0.000 3.017 388 Q HA 0.265 4.598 4.340 -0.012 0.000 0.299 388 Q C -0.240 175.845 176.000 0.142 0.000 1.046 388 Q CA -0.585 55.312 55.803 0.156 0.000 0.821 388 Q CB 1.280 30.083 28.738 0.108 0.000 1.481 388 Q HN 0.011 nan 8.270 nan 0.000 0.494 389 K N 0.120 120.603 120.400 0.138 0.000 3.244 389 K HA -0.166 4.147 4.320 -0.012 0.000 0.270 389 K C -1.652 175.030 176.600 0.136 0.000 1.016 389 K CA 0.213 56.567 56.287 0.112 0.000 0.754 389 K CB -0.963 31.583 32.500 0.076 0.000 1.326 389 K HN 0.315 nan 8.250 nan 0.000 0.465 390 L N 0.359 121.714 121.223 0.221 0.000 2.422 390 L HA 0.600 4.933 4.340 -0.012 0.000 0.264 390 L C 0.063 177.149 176.870 0.360 0.000 0.984 390 L CA -0.094 54.913 54.840 0.278 0.000 0.819 390 L CB 1.812 44.065 42.059 0.324 0.000 1.330 390 L HN 0.334 nan 8.230 nan 0.000 0.410 391 T N 0.228 114.894 114.554 0.186 0.000 2.896 391 T HA 0.444 4.787 4.350 -0.012 0.000 0.297 391 T C 0.882 175.314 174.700 -0.447 0.000 1.108 391 T CA -0.584 61.377 62.100 -0.232 0.000 1.004 391 T CB 1.621 70.380 68.868 -0.182 0.000 1.159 391 T HN 0.632 nan 8.240 nan 0.000 0.499 392 R N 0.310 120.161 120.500 -1.082 0.000 2.120 392 R HA -0.088 4.244 4.340 -0.012 0.000 0.234 392 R C 1.290 177.440 176.300 -0.251 0.000 1.123 392 R CA 1.813 57.492 56.100 -0.702 0.000 0.975 392 R CB -0.271 29.487 30.300 -0.905 0.000 0.866 392 R HN 0.681 nan 8.270 nan 0.000 0.446 393 D N 0.466 120.720 120.400 -0.243 0.000 2.218 393 D HA -0.158 4.474 4.640 -0.012 0.000 0.204 393 D C 1.801 178.056 176.300 -0.075 0.000 0.976 393 D CA 0.598 54.519 54.000 -0.131 0.000 0.853 393 D CB -0.035 40.695 40.800 -0.116 0.000 0.939 393 D HN 0.146 nan 8.370 nan 0.000 0.481 394 L N 0.263 121.444 121.223 -0.071 0.000 2.051 394 L HA -0.162 4.171 4.340 -0.012 0.000 0.214 394 L C 1.732 178.559 176.870 -0.073 0.000 1.076 394 L CA 1.656 56.457 54.840 -0.064 0.000 0.758 394 L CB -0.074 41.918 42.059 -0.112 0.000 0.890 394 L HN 0.039 nan 8.230 nan 0.000 0.433 395 L N -1.196 119.993 121.223 -0.057 0.000 2.959 395 L HA 0.241 4.574 4.340 -0.012 0.000 0.259 395 L C 0.368 177.227 176.870 -0.018 0.000 1.185 395 L CA 0.003 54.827 54.840 -0.027 0.000 0.998 395 L CB -0.349 41.705 42.059 -0.007 0.000 1.337 395 L HN 0.342 nan 8.230 nan 0.000 0.555 396 N N -0.680 117.995 118.700 -0.042 0.000 2.735 396 N HA -0.180 4.553 4.740 -0.012 0.000 0.248 396 N C 0.076 175.515 175.510 -0.119 0.000 1.083 396 N CA -0.051 52.955 53.050 -0.073 0.000 0.703 396 N CB -1.369 37.082 38.487 -0.060 0.000 1.005 396 N HN 0.325 nan 8.380 nan 0.000 0.550 397 C N 0.797 120.051 119.300 -0.077 0.000 2.592 397 C HA 0.288 4.741 4.460 -0.012 0.000 0.408 397 C C 1.146 175.967 174.990 -0.282 0.000 1.436 397 C CA 0.013 58.936 59.018 -0.159 0.000 1.595 397 C CB -0.118 27.770 27.740 0.245 0.000 2.487 397 C HN 0.350 nan 8.230 nan 0.000 0.610 398 S N 1.873 117.225 115.700 -0.579 0.000 2.569 398 S HA 0.761 5.224 4.470 -0.012 0.000 0.280 398 S C -1.242 173.038 174.600 -0.534 0.000 1.111 398 S CA -0.394 57.564 58.200 -0.404 0.000 0.887 398 S CB 1.039 64.060 63.200 -0.298 0.000 1.095 398 S HN 0.575 nan 8.310 nan 0.000 0.476 399 F N 3.117 122.852 119.950 -0.358 0.000 2.496 399 F HA 0.688 5.207 4.527 -0.013 0.000 0.341 399 F C -0.569 175.100 175.800 -0.218 0.000 1.134 399 F CA -0.392 57.439 58.000 -0.281 0.000 0.968 399 F CB 0.870 39.895 39.000 0.042 0.000 1.205 399 F HN 0.421 nan 8.300 nan 0.000 0.436 400 K N 4.124 124.140 120.400 -0.640 0.000 2.443 400 K HA 0.515 4.828 4.320 -0.012 0.000 0.251 400 K C -1.505 174.999 176.600 -0.160 0.000 0.972 400 K CA -0.604 55.530 56.287 -0.254 0.000 0.833 400 K CB 1.965 34.408 32.500 -0.096 0.000 1.317 400 K HN 0.616 nan 8.250 nan 0.000 0.441 401 C N 1.597 120.959 119.300 0.104 0.000 2.435 401 C HA 0.460 4.913 4.460 -0.012 0.000 0.375 401 C C 1.207 176.390 174.990 0.322 0.000 1.281 401 C CA 0.069 59.213 59.018 0.210 0.000 1.963 401 C CB -0.659 27.218 27.740 0.229 0.000 2.490 401 C HN 0.870 nan 8.230 nan 0.000 0.557 402 S N 3.310 119.258 115.700 0.414 0.000 2.603 402 S HA 0.252 4.715 4.470 -0.012 0.000 0.232 402 S C -0.372 174.429 174.600 0.335 0.000 1.016 402 S CA -0.149 58.251 58.200 0.334 0.000 0.976 402 S CB 0.051 63.348 63.200 0.161 0.000 0.921 402 S HN 0.926 nan 8.310 nan 0.000 0.516 403 Y N 0.707 121.123 120.300 0.195 0.000 2.521 403 Y HA 0.572 5.115 4.550 -0.013 0.000 0.332 403 Y C -1.925 174.024 175.900 0.082 0.000 1.121 403 Y CA -1.114 57.013 58.100 0.045 0.000 1.037 403 Y CB 1.704 40.041 38.460 -0.206 0.000 1.330 403 Y HN 0.074 nan 8.280 nan 0.000 0.452 404 V N 4.222 123.885 119.914 -0.418 0.000 2.932 404 V HA 0.596 4.708 4.120 -0.012 0.000 0.307 404 V C -1.291 174.491 176.094 -0.519 0.000 1.147 404 V CA -1.124 60.968 62.300 -0.346 0.000 0.951 404 V CB 1.607 33.353 31.823 -0.129 0.000 1.031 404 V HN 0.564 nan 8.190 nan 0.000 0.426 405 V N 2.136 121.827 119.914 -0.373 0.000 2.328 405 V HA 0.492 4.605 4.120 -0.012 0.000 0.278 405 V C 0.179 176.166 176.094 -0.179 0.000 1.021 405 V CA 0.043 62.170 62.300 -0.289 0.000 0.838 405 V CB 1.552 33.252 31.823 -0.204 0.000 0.999 405 V HN 1.019 nan 8.190 nan 0.000 0.447 406 T N 4.975 119.441 114.554 -0.146 0.000 2.809 406 T HA 0.349 4.691 4.350 -0.012 0.000 0.296 406 T C 0.409 175.061 174.700 -0.080 0.000 1.015 406 T CA -0.256 61.780 62.100 -0.106 0.000 0.954 406 T CB 0.201 69.021 68.868 -0.079 0.000 0.950 406 T HN 0.702 nan 8.240 nan 0.000 0.450 407 N N 2.356 121.011 118.700 -0.074 0.000 2.780 407 N HA -0.216 4.517 4.740 -0.012 0.000 0.248 407 N C 1.142 176.626 175.510 -0.043 0.000 1.102 407 N CA 1.669 54.688 53.050 -0.053 0.000 0.697 407 N CB -1.290 37.172 38.487 -0.041 0.000 1.028 407 N HN 1.193 nan 8.380 nan 0.000 0.554 408 G N -1.502 107.269 108.800 -0.049 0.000 2.336 408 G HA2 -0.315 3.638 3.960 -0.012 0.000 0.233 408 G HA3 -0.315 3.638 3.960 -0.012 0.000 0.233 408 G C 0.078 174.958 174.900 -0.033 0.000 1.053 408 G CA 0.564 45.644 45.100 -0.033 0.000 0.625 408 G HN 0.857 nan 8.290 nan 0.000 0.511 409 L N -0.249 120.948 121.223 -0.042 0.000 2.322 409 L HA 0.932 5.265 4.340 -0.012 0.000 0.279 409 L C 0.601 177.423 176.870 -0.079 0.000 1.036 409 L CA -0.334 54.484 54.840 -0.035 0.000 0.807 409 L CB 1.674 43.721 42.059 -0.020 0.000 1.226 409 L HN 0.455 nan 8.230 nan 0.000 0.433 410 G N 1.925 110.686 108.800 -0.065 0.000 2.420 410 G HA2 0.575 4.528 3.960 -0.012 0.000 0.284 410 G HA3 0.575 4.528 3.960 -0.012 0.000 0.284 410 G C -0.611 174.243 174.900 -0.078 0.000 1.177 410 G CA -0.286 44.693 45.100 -0.203 0.000 0.841 410 G HN 1.080 nan 8.290 nan 0.000 0.527 411 V N -0.420 119.393 119.914 -0.168 0.000 2.623 411 V HA 0.486 4.599 4.120 -0.012 0.000 0.304 411 V C -0.614 175.519 176.094 0.064 0.000 1.054 411 V CA -1.742 60.550 62.300 -0.013 0.000 0.882 411 V CB 1.555 33.368 31.823 -0.017 0.000 1.002 411 V HN 0.584 nan 8.190 nan 0.000 0.424 412 N N 2.273 121.047 118.700 0.124 0.000 2.479 412 N HA 0.572 5.305 4.740 -0.012 0.000 0.257 412 N C -0.369 175.225 175.510 0.140 0.000 1.232 412 N CA -0.008 53.118 53.050 0.127 0.000 0.920 412 N CB 1.964 40.443 38.487 -0.013 0.000 1.105 412 N HN 0.680 nan 8.380 nan 0.000 0.444 413 V N 1.590 121.633 119.914 0.214 0.000 3.160 413 V HA 0.769 4.881 4.120 -0.012 0.000 0.310 413 V C -0.684 175.759 176.094 0.580 0.000 1.181 413 V CA -0.652 61.884 62.300 0.393 0.000 1.047 413 V CB 1.885 33.863 31.823 0.259 0.000 1.068 413 V HN 0.789 nan 8.190 nan 0.000 0.441 414 F N -0.058 119.939 119.950 0.078 0.000 3.069 414 F HA 0.570 5.091 4.527 -0.010 0.000 0.333 414 F C -1.577 174.261 175.800 0.062 0.000 1.111 414 F CA -1.524 56.524 58.000 0.080 0.000 0.868 414 F CB 1.278 40.310 39.000 0.054 0.000 1.409 414 F HN 0.464 nan 8.300 nan 0.000 0.450 415 K N 0.323 120.609 120.400 -0.189 0.000 2.328 415 K HA 0.654 4.967 4.320 -0.012 0.000 0.246 415 K C -2.047 174.391 176.600 -0.271 0.000 0.955 415 K CA -0.850 55.249 56.287 -0.313 0.000 0.817 415 K CB 2.698 35.131 32.500 -0.112 0.000 1.208 415 K HN 0.643 nan 8.250 nan 0.000 0.432 416 D N 2.565 122.801 120.400 -0.272 0.000 2.381 416 D HA 0.280 4.913 4.640 -0.012 0.000 0.245 416 D C -2.517 173.733 176.300 -0.084 0.000 1.297 416 D CA -1.305 52.621 54.000 -0.123 0.000 0.931 416 D CB 1.413 42.161 40.800 -0.088 0.000 1.334 416 D HN 0.357 nan 8.370 nan 0.000 0.535 417 P HA 0.022 nan 4.420 nan 0.000 0.268 417 P C 0.986 178.271 177.300 -0.025 0.000 1.204 417 P CA -0.386 62.690 63.100 -0.041 0.000 0.768 417 P CB 1.601 33.283 31.700 -0.030 0.000 0.842 418 V N 3.292 123.192 119.914 -0.023 0.000 2.346 418 V HA -0.125 3.988 4.120 -0.012 0.000 0.244 418 V C 1.821 177.909 176.094 -0.009 0.000 1.037 418 V CA 2.105 64.397 62.300 -0.012 0.000 1.029 418 V CB -1.085 30.731 31.823 -0.012 0.000 0.663 418 V HN 0.635 nan 8.190 nan 0.000 0.454 419 A N -0.432 122.382 122.820 -0.012 0.000 2.277 419 A HA 0.058 4.370 4.320 -0.012 0.000 0.208 419 A C 0.615 178.194 177.584 -0.008 0.000 1.202 419 A CA 1.326 53.357 52.037 -0.010 0.000 0.762 419 A CB -0.561 18.432 19.000 -0.012 0.000 0.770 419 A HN 0.777 nan 8.150 nan 0.000 0.487 420 D N -2.054 118.342 120.400 -0.008 0.000 2.205 420 D HA 0.198 4.830 4.640 -0.012 0.000 0.168 420 D C -3.119 173.180 176.300 -0.001 0.000 1.167 420 D CA -0.775 53.222 54.000 -0.005 0.000 0.834 420 D CB 1.580 42.374 40.800 -0.009 0.000 2.599 420 D HN -0.008 nan 8.370 nan 0.000 0.497 421 P HA 0.298 nan 4.420 nan 0.000 0.344 421 P C 0.311 177.620 177.300 0.015 0.000 1.321 421 P CA 0.083 63.192 63.100 0.016 0.000 0.773 421 P CB 0.603 32.315 31.700 0.020 0.000 1.723 422 N N -1.895 116.818 118.700 0.021 0.000 2.908 422 N HA -0.217 4.516 4.740 -0.012 0.000 0.227 422 N C 0.869 176.386 175.510 0.013 0.000 0.834 422 N CA 2.058 55.118 53.050 0.016 0.000 1.118 422 N CB -1.347 37.145 38.487 0.008 0.000 1.008 422 N HN 0.293 nan 8.380 nan 0.000 0.623 423 K N 0.387 120.794 120.400 0.013 0.000 2.356 423 K HA 0.047 4.360 4.320 -0.012 0.000 0.195 423 K C 0.515 177.135 176.600 0.033 0.000 1.037 423 K CA -0.123 56.169 56.287 0.007 0.000 1.014 423 K CB 0.180 32.676 32.500 -0.006 0.000 0.815 423 K HN 0.399 nan 8.250 nan 0.000 0.507 424 R N 2.171 122.702 120.500 0.052 0.000 2.523 424 R HA -0.034 4.299 4.340 -0.012 0.000 0.281 424 R C -0.718 175.669 176.300 0.145 0.000 0.969 424 R CA 0.542 56.706 56.100 0.107 0.000 1.093 424 R CB 0.348 30.717 30.300 0.115 0.000 0.917 424 R HN -0.153 nan 8.270 nan 0.000 0.408 425 S N 3.192 119.031 115.700 0.231 0.000 2.687 425 S HA 0.305 4.768 4.470 -0.012 0.000 0.283 425 S C -0.491 174.248 174.600 0.231 0.000 1.170 425 S CA -0.957 57.407 58.200 0.274 0.000 1.008 425 S CB 1.458 64.849 63.200 0.317 0.000 1.026 425 S HN 0.523 nan 8.310 nan 0.000 0.541 426 K N 1.070 121.539 120.400 0.116 0.000 2.168 426 K HA 0.304 4.617 4.320 -0.012 0.000 0.258 426 K C -0.362 176.149 176.600 -0.148 0.000 1.010 426 K CA -0.168 56.031 56.287 -0.147 0.000 0.929 426 K CB 0.478 32.685 32.500 -0.488 0.000 0.998 426 K HN 0.372 nan 8.250 nan 0.000 0.479 427 K N 0.439 120.714 120.400 -0.207 0.000 2.270 427 K HA 0.367 4.680 4.320 -0.012 0.000 0.255 427 K C -0.085 176.414 176.600 -0.167 0.000 0.936 427 K CA -0.190 55.981 56.287 -0.193 0.000 0.809 427 K CB 1.841 34.130 32.500 -0.351 0.000 1.131 427 K HN 0.842 nan 8.250 nan 0.000 0.427 428 G N 2.103 110.856 108.800 -0.079 0.000 2.598 428 G HA2 -0.300 3.653 3.960 -0.012 0.000 0.244 428 G HA3 -0.300 3.653 3.960 -0.012 0.000 0.244 428 G C -0.816 173.893 174.900 -0.318 0.000 1.302 428 G CA -0.647 44.370 45.100 -0.139 0.000 0.903 428 G HN 0.634 nan 8.290 nan 0.000 0.575 429 R N 0.115 120.252 120.500 -0.606 0.000 2.291 429 R HA 0.392 4.725 4.340 -0.012 0.000 0.333 429 R C 0.606 176.748 176.300 -0.264 0.000 1.082 429 R CA -0.171 55.532 56.100 -0.663 0.000 0.948 429 R CB -0.110 29.705 30.300 -0.809 0.000 1.009 429 R HN 0.400 nan 8.270 nan 0.000 0.460 430 L N 1.628 122.802 121.223 -0.081 0.000 2.439 430 L HA 0.396 4.729 4.340 -0.012 0.000 0.261 430 L C 0.178 177.026 176.870 -0.037 0.000 1.153 430 L CA -0.266 54.527 54.840 -0.078 0.000 0.808 430 L CB 1.336 43.316 42.059 -0.131 0.000 1.126 430 L HN 0.577 nan 8.230 nan 0.000 0.460 431 S N 2.224 117.867 115.700 -0.095 0.000 2.540 431 S HA 0.486 4.949 4.470 -0.012 0.000 0.275 431 S C -1.062 173.290 174.600 -0.413 0.000 1.123 431 S CA -0.675 57.407 58.200 -0.196 0.000 0.907 431 S CB 2.151 65.341 63.200 -0.015 0.000 1.081 431 S HN 0.450 nan 8.310 nan 0.000 0.476 432 L N 4.398 125.318 121.223 -0.506 0.000 2.277 432 L HA 0.493 4.826 4.340 -0.012 0.000 0.284 432 L C -1.035 175.539 176.870 -0.494 0.000 1.028 432 L CA -0.086 54.529 54.840 -0.374 0.000 0.835 432 L CB -0.003 41.957 42.059 -0.165 0.000 1.215 432 L HN 0.834 nan 8.230 nan 0.000 0.425 433 H N 3.872 122.928 119.070 -0.024 0.000 2.676 433 H HA 0.423 4.972 4.556 -0.012 0.000 0.352 433 H C -0.626 174.691 175.328 -0.019 0.000 1.193 433 H CA -0.888 55.141 56.048 -0.031 0.000 1.243 433 H CB 1.801 31.466 29.762 -0.162 0.000 1.751 433 H HN 0.419 nan 8.280 nan 0.000 0.567 434 R N 1.101 121.674 120.500 0.123 0.000 2.239 434 R HA 0.179 4.512 4.340 -0.012 0.000 0.332 434 R C -0.613 175.724 176.300 0.062 0.000 0.988 434 R CA -0.518 55.545 56.100 -0.061 0.000 0.859 434 R CB -0.124 30.117 30.300 -0.099 0.000 1.148 434 R HN 0.758 nan 8.270 nan 0.000 0.482 435 T N 2.626 117.204 114.554 0.041 0.000 2.928 435 T HA 0.140 4.483 4.350 -0.012 0.000 0.305 435 T C -1.283 173.455 174.700 0.063 0.000 1.035 435 T CA -1.135 61.056 62.100 0.151 0.000 1.145 435 T CB 0.916 69.850 68.868 0.109 0.000 0.963 435 T HN 0.587 nan 8.240 nan 0.000 0.545 436 P HA 0.013 nan 4.420 nan 0.000 0.234 436 P C 0.523 177.820 177.300 -0.005 0.000 1.162 436 P CA 0.584 63.685 63.100 0.003 0.000 0.759 436 P CB -0.211 31.471 31.700 -0.030 0.000 0.813 437 A N -1.417 121.405 122.820 0.003 0.000 2.606 437 A HA 0.620 4.933 4.320 -0.012 0.000 0.290 437 A C 1.291 178.866 177.584 -0.015 0.000 1.174 437 A CA 0.382 52.417 52.037 -0.003 0.000 0.958 437 A CB 0.059 19.064 19.000 0.009 0.000 1.194 437 A HN 0.292 nan 8.150 nan 0.000 0.526 438 G N -0.418 108.357 108.800 -0.043 0.000 2.882 438 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.198 438 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.198 438 G C 0.976 175.781 174.900 -0.158 0.000 1.977 438 G CA 0.536 45.593 45.100 -0.071 0.000 1.541 438 G HN 1.042 nan 8.290 nan 0.000 0.567 439 T N 0.513 115.004 114.554 -0.104 0.000 3.976 439 T HA 0.598 4.941 4.350 -0.012 0.000 0.393 439 T C 0.597 175.067 174.700 -0.384 0.000 1.208 439 T CA 0.818 62.837 62.100 -0.135 0.000 0.970 439 T CB 0.155 69.098 68.868 0.125 0.000 1.759 439 T HN 0.451 nan 8.240 nan 0.000 0.527 440 F N -0.864 119.095 119.950 0.014 0.000 2.712 440 F HA 0.792 5.312 4.527 -0.011 0.000 0.367 440 F C 0.003 175.779 175.800 -0.040 0.000 1.132 440 F CA -1.179 56.815 58.000 -0.009 0.000 1.066 440 F CB 1.568 40.555 39.000 -0.022 0.000 1.416 440 F HN 0.497 nan 8.300 nan 0.000 0.515 441 V N -0.129 119.866 119.914 0.134 0.000 2.971 441 V HA 0.450 4.563 4.120 -0.012 0.000 0.281 441 V C -1.546 174.506 176.094 -0.070 0.000 1.470 441 V CA -0.313 61.972 62.300 -0.025 0.000 0.966 441 V CB 1.827 33.538 31.823 -0.187 0.000 1.156 441 V HN 0.766 nan 8.190 nan 0.000 0.441 442 T N 7.902 122.410 114.554 -0.078 0.000 2.749 442 T HA 0.593 4.936 4.350 -0.012 0.000 0.287 442 T C -0.279 174.360 174.700 -0.102 0.000 0.970 442 T CA -0.237 61.799 62.100 -0.107 0.000 0.980 442 T CB 0.960 69.769 68.868 -0.098 0.000 0.924 442 T HN 0.596 nan 8.240 nan 0.000 0.456 443 L N 3.597 124.776 121.223 -0.074 0.000 2.292 443 L HA 0.442 4.775 4.340 -0.012 0.000 0.284 443 L C 0.810 177.635 176.870 -0.076 0.000 1.065 443 L CA -0.576 54.241 54.840 -0.038 0.000 0.806 443 L CB 1.103 43.211 42.059 0.081 0.000 1.175 443 L HN 0.615 nan 8.230 nan 0.000 0.431 444 E N 1.716 121.859 120.200 -0.096 0.000 2.302 444 E HA 0.194 4.537 4.350 -0.012 0.000 0.255 444 E C -0.258 176.265 176.600 -0.128 0.000 1.099 444 E CA -0.763 55.555 56.400 -0.136 0.000 0.929 444 E CB 0.722 30.332 29.700 -0.150 0.000 1.203 444 E HN 0.466 nan 8.360 nan 0.000 0.459 445 E N -0.380 119.724 120.200 -0.159 0.000 2.365 445 E HA -0.298 4.045 4.350 -0.012 0.000 0.237 445 E C 0.531 177.039 176.600 -0.154 0.000 1.238 445 E CA 0.349 56.657 56.400 -0.152 0.000 0.718 445 E CB -1.658 27.971 29.700 -0.118 0.000 1.218 445 E HN 0.929 nan 8.360 nan 0.000 0.387 446 G N -0.086 108.598 108.800 -0.193 0.000 2.186 446 G HA2 -0.455 3.497 3.960 -0.012 0.000 0.266 446 G HA3 -0.455 3.497 3.960 -0.012 0.000 0.266 446 G C 0.782 175.630 174.900 -0.088 0.000 0.982 446 G CA 1.012 46.008 45.100 -0.174 0.000 0.670 446 G HN 0.445 nan 8.290 nan 0.000 0.533 447 K N 0.147 120.508 120.400 -0.065 0.000 2.520 447 K HA 0.025 4.338 4.320 -0.012 0.000 0.197 447 K C 2.450 179.050 176.600 0.001 0.000 1.043 447 K CA 0.770 57.039 56.287 -0.030 0.000 0.944 447 K CB -0.268 32.219 32.500 -0.022 0.000 0.770 447 K HN 0.423 nan 8.250 nan 0.000 0.480 448 G N 0.511 109.330 108.800 0.031 0.000 2.813 448 G HA2 -0.146 3.807 3.960 -0.012 0.000 0.209 448 G HA3 -0.146 3.807 3.960 -0.012 0.000 0.209 448 G C 0.772 175.696 174.900 0.040 0.000 1.150 448 G CA 0.124 45.286 45.100 0.104 0.000 0.785 448 G HN 0.180 nan 8.290 nan 0.000 0.535 449 D N 0.323 120.726 120.400 0.005 0.000 2.363 449 D HA 0.045 4.678 4.640 -0.012 0.000 0.220 449 D C 0.784 177.072 176.300 -0.019 0.000 0.994 449 D CA 0.259 54.257 54.000 -0.005 0.000 0.890 449 D CB 0.226 41.014 40.800 -0.020 0.000 0.906 449 D HN 0.258 nan 8.370 nan 0.000 0.530 450 L N 2.229 123.435 121.223 -0.029 0.000 2.272 450 L HA 0.189 4.522 4.340 -0.012 0.000 0.284 450 L C 0.227 177.058 176.870 -0.064 0.000 1.045 450 L CA -0.697 54.118 54.840 -0.041 0.000 0.842 450 L CB 1.002 43.039 42.059 -0.036 0.000 1.224 450 L HN -0.294 nan 8.230 nan 0.000 0.430 451 E N 3.467 123.621 120.200 -0.078 0.000 1.855 451 E HA -0.068 4.275 4.350 -0.012 0.000 0.259 451 E C 0.228 176.744 176.600 -0.140 0.000 1.229 451 E CA 0.225 56.553 56.400 -0.121 0.000 1.042 451 E CB -0.026 29.594 29.700 -0.133 0.000 1.079 451 E HN 0.634 nan 8.360 nan 0.000 0.434 452 E N 0.131 120.244 120.200 -0.144 0.000 2.166 452 E HA -0.038 4.304 4.350 -0.012 0.000 0.192 452 E C 0.741 177.124 176.600 -0.362 0.000 0.967 452 E CA 0.558 56.822 56.400 -0.228 0.000 0.840 452 E CB 0.021 29.594 29.700 -0.212 0.000 0.795 452 E HN 0.400 nan 8.360 nan 0.000 0.470 453 Y N 0.284 120.422 120.300 -0.269 0.000 2.481 453 Y HA 0.311 4.854 4.550 -0.011 0.000 0.258 453 Y C 0.917 176.693 175.900 -0.207 0.000 1.103 453 Y CA 0.281 58.238 58.100 -0.240 0.000 1.287 453 Y CB 0.819 39.092 38.460 -0.311 0.000 1.108 453 Y HN 0.001 nan 8.280 nan 0.000 0.529 454 G N 1.748 110.463 108.800 -0.142 0.000 3.129 454 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.304 454 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.304 454 G C -0.939 173.915 174.900 -0.078 0.000 0.679 454 G CA 0.161 45.119 45.100 -0.237 0.000 0.812 454 G HN 0.613 nan 8.290 nan 0.000 0.409 455 H N -0.137 119.017 119.070 0.140 0.000 3.521 455 H HA -0.100 4.448 4.556 -0.012 0.000 0.345 455 H C 0.688 176.170 175.328 0.257 0.000 1.019 455 H CA 0.877 57.036 56.048 0.185 0.000 1.066 455 H CB -0.974 28.868 29.762 0.132 0.000 1.513 455 H HN 1.083 nan 8.280 nan 0.000 0.370 456 D N 1.532 122.157 120.400 0.375 0.000 2.405 456 D HA 0.007 4.639 4.640 -0.012 0.000 0.232 456 D C 1.122 177.462 176.300 0.066 0.000 1.240 456 D CA 0.096 54.166 54.000 0.118 0.000 0.881 456 D CB 0.784 41.640 40.800 0.094 0.000 1.222 456 D HN 0.385 nan 8.370 nan 0.000 0.482 457 L N 0.853 122.038 121.223 -0.064 0.000 2.966 457 L HA 0.259 4.591 4.340 -0.012 0.000 0.262 457 L C 0.051 176.751 176.870 -0.284 0.000 1.165 457 L CA -0.106 54.669 54.840 -0.108 0.000 0.978 457 L CB -0.213 41.850 42.059 0.005 0.000 1.337 457 L HN 0.264 nan 8.230 nan 0.000 0.563 458 L N -0.316 120.796 121.223 -0.186 0.000 2.326 458 L HA 0.359 4.691 4.340 -0.012 0.000 0.278 458 L C -0.266 176.539 176.870 -0.108 0.000 1.092 458 L CA -0.311 54.445 54.840 -0.139 0.000 0.810 458 L CB 0.443 42.483 42.059 -0.032 0.000 1.153 458 L HN 0.167 nan 8.230 nan 0.000 0.439 459 H N 0.223 119.380 119.070 0.145 0.000 2.567 459 H HA 0.301 4.850 4.556 -0.012 0.000 0.345 459 H C -0.204 175.202 175.328 0.131 0.000 1.169 459 H CA -0.703 55.426 56.048 0.136 0.000 1.227 459 H CB 1.741 31.600 29.762 0.161 0.000 1.607 459 H HN 0.503 nan 8.280 nan 0.000 0.534 460 T N 1.568 116.273 114.554 0.251 0.000 2.884 460 T HA 0.144 4.487 4.350 -0.012 0.000 0.298 460 T C 1.130 175.929 174.700 0.165 0.000 0.998 460 T CA -0.150 62.054 62.100 0.174 0.000 1.124 460 T CB 0.588 69.526 68.868 0.117 0.000 0.931 460 T HN 0.558 nan 8.240 nan 0.000 0.531 461 V N 0.672 120.692 119.914 0.176 0.000 3.426 461 V HA 0.581 4.694 4.120 -0.012 0.000 0.279 461 V C -0.239 175.980 176.094 0.209 0.000 1.544 461 V CA -0.280 62.118 62.300 0.164 0.000 1.017 461 V CB -0.208 31.742 31.823 0.211 0.000 0.821 461 V HN 0.651 nan 8.190 nan 0.000 0.432 462 F N 1.460 121.421 119.950 0.018 0.000 2.588 462 F HA 0.815 5.336 4.527 -0.011 0.000 0.314 462 F C -0.921 174.879 175.800 0.000 0.000 1.134 462 F CA -0.764 57.233 58.000 -0.005 0.000 0.961 462 F CB 2.060 41.049 39.000 -0.017 0.000 1.239 462 F HN 0.016 nan 8.300 nan 0.000 0.448 463 K N 4.597 124.742 120.400 -0.424 0.000 2.565 463 K HA 0.338 4.651 4.320 -0.012 0.000 0.251 463 K C -0.983 175.340 176.600 -0.462 0.000 0.956 463 K CA -0.527 55.596 56.287 -0.273 0.000 0.809 463 K CB 0.874 33.301 32.500 -0.123 0.000 1.267 463 K HN 0.618 nan 8.250 nan 0.000 0.438 464 N N 3.448 121.938 118.700 -0.350 0.000 2.696 464 N HA -0.275 4.458 4.740 -0.012 0.000 0.271 464 N C 0.527 175.844 175.510 -0.322 0.000 0.997 464 N CA 1.553 54.424 53.050 -0.298 0.000 0.801 464 N CB -0.905 37.462 38.487 -0.201 0.000 0.913 464 N HN 1.125 nan 8.380 nan 0.000 0.557 465 G N -0.922 107.526 108.800 -0.586 0.000 2.245 465 G HA2 -0.356 3.596 3.960 -0.012 0.000 0.264 465 G HA3 -0.356 3.596 3.960 -0.012 0.000 0.264 465 G C -0.023 174.505 174.900 -0.621 0.000 0.985 465 G CA 0.976 45.741 45.100 -0.558 0.000 0.625 465 G HN 0.530 nan 8.290 nan 0.000 0.536 466 K N 0.255 120.284 120.400 -0.618 0.000 2.207 466 K HA 0.624 4.936 4.320 -0.012 0.000 0.255 466 K C -0.311 176.089 176.600 -0.334 0.000 0.941 466 K CA -0.887 55.187 56.287 -0.354 0.000 0.825 466 K CB 2.890 35.279 32.500 -0.185 0.000 1.119 466 K HN 0.061 nan 8.250 nan 0.000 0.430 467 V N 3.070 122.915 119.914 -0.115 0.000 2.313 467 V HA -0.027 4.086 4.120 -0.012 0.000 0.252 467 V C 1.680 177.751 176.094 -0.039 0.000 1.112 467 V CA 0.195 62.495 62.300 0.001 0.000 0.984 467 V CB -0.166 31.680 31.823 0.039 0.000 1.157 467 V HN 0.961 nan 8.190 nan 0.000 0.493 468 T N 1.203 115.731 114.554 -0.043 0.000 3.163 468 T HA 0.038 4.380 4.350 -0.012 0.000 0.260 468 T C 0.512 175.174 174.700 -0.062 0.000 1.156 468 T CA 0.419 62.489 62.100 -0.051 0.000 1.072 468 T CB -0.108 68.735 68.868 -0.041 0.000 0.937 468 T HN 0.535 nan 8.240 nan 0.000 0.528 469 K N 0.723 121.082 120.400 -0.069 0.000 2.578 469 K HA 0.331 4.644 4.320 -0.012 0.000 0.263 469 K C -1.431 175.035 176.600 -0.223 0.000 0.973 469 K CA -0.297 55.891 56.287 -0.165 0.000 0.909 469 K CB 1.471 33.861 32.500 -0.183 0.000 1.326 469 K HN 0.261 nan 8.250 nan 0.000 0.440 470 S N 2.171 117.704 115.700 -0.277 0.000 2.634 470 S HA 0.726 5.189 4.470 -0.012 0.000 0.296 470 S C -1.190 173.215 174.600 -0.326 0.000 1.104 470 S CA -0.644 57.429 58.200 -0.211 0.000 0.920 470 S CB 1.033 64.192 63.200 -0.068 0.000 1.111 470 S HN 0.403 nan 8.310 nan 0.000 0.493 471 Y N 0.587 120.982 120.300 0.159 0.000 2.499 471 Y HA 0.619 5.162 4.550 -0.012 0.000 0.347 471 Y C 0.641 176.691 175.900 0.250 0.000 0.987 471 Y CA -0.932 57.279 58.100 0.184 0.000 1.044 471 Y CB 1.822 40.406 38.460 0.206 0.000 1.245 471 Y HN 0.895 nan 8.280 nan 0.000 0.461 472 S N 0.853 116.759 115.700 0.344 0.000 2.580 472 S HA 0.142 4.604 4.470 -0.012 0.000 0.274 472 S C 0.332 175.140 174.600 0.346 0.000 1.329 472 S CA -0.577 57.813 58.200 0.316 0.000 1.036 472 S CB 0.376 63.695 63.200 0.199 0.000 0.919 472 S HN 0.670 nan 8.310 nan 0.000 0.515 473 F N 1.420 121.496 119.950 0.210 0.000 2.664 473 F HA 0.027 4.546 4.527 -0.013 0.000 0.297 473 F C 0.759 176.548 175.800 -0.019 0.000 1.164 473 F CA 0.519 58.541 58.000 0.037 0.000 1.472 473 F CB -0.610 38.388 39.000 -0.003 0.000 1.108 473 F HN 0.686 nan 8.300 nan 0.000 0.596 474 D N -0.790 119.634 120.400 0.041 0.000 2.240 474 D HA -0.080 4.553 4.640 -0.012 0.000 0.206 474 D C 1.893 178.140 176.300 -0.087 0.000 0.963 474 D CA 0.959 54.938 54.000 -0.035 0.000 0.863 474 D CB 0.027 40.852 40.800 0.043 0.000 0.973 474 D HN 0.416 nan 8.370 nan 0.000 0.501 475 E N 0.471 120.654 120.200 -0.028 0.000 2.122 475 E HA -0.050 4.293 4.350 -0.012 0.000 0.190 475 E C 2.078 178.601 176.600 -0.128 0.000 0.977 475 E CA 0.369 56.758 56.400 -0.018 0.000 0.820 475 E CB 0.126 29.891 29.700 0.109 0.000 0.770 475 E HN 0.054 nan 8.360 nan 0.000 0.462 476 V N 2.351 122.140 119.914 -0.208 0.000 2.324 476 V HA -0.310 3.802 4.120 -0.012 0.000 0.250 476 V C 2.263 178.079 176.094 -0.464 0.000 1.060 476 V CA 1.775 63.848 62.300 -0.378 0.000 1.042 476 V CB -0.629 30.824 31.823 -0.617 0.000 0.650 476 V HN 0.235 nan 8.190 nan 0.000 0.450 477 R N 0.652 120.830 120.500 -0.537 0.000 2.126 477 R HA -0.187 4.146 4.340 -0.012 0.000 0.224 477 R C 2.175 178.316 176.300 -0.266 0.000 1.128 477 R CA 1.817 57.651 56.100 -0.443 0.000 0.895 477 R CB -1.194 28.877 30.300 -0.381 0.000 0.817 477 R HN 0.430 nan 8.270 nan 0.000 0.435 478 K N 0.839 121.126 120.400 -0.189 0.000 2.128 478 K HA -0.293 4.020 4.320 -0.012 0.000 0.220 478 K C 1.909 178.450 176.600 -0.098 0.000 1.049 478 K CA 2.260 58.479 56.287 -0.114 0.000 0.948 478 K CB -0.383 32.075 32.500 -0.070 0.000 0.742 478 K HN 0.157 nan 8.250 nan 0.000 0.465 479 N N -0.145 118.492 118.700 -0.106 0.000 2.006 479 N HA -0.113 4.620 4.740 -0.012 0.000 0.196 479 N C -0.069 175.393 175.510 -0.080 0.000 1.057 479 N CA 1.628 54.634 53.050 -0.074 0.000 0.853 479 N CB -0.660 37.772 38.487 -0.093 0.000 1.051 479 N HN 0.373 nan 8.380 nan 0.000 0.423 480 A N 1.339 124.078 122.820 -0.135 0.000 2.805 480 A HA 0.297 4.610 4.320 -0.012 0.000 0.301 480 A C -0.021 177.469 177.584 -0.156 0.000 1.557 480 A CA -0.148 51.809 52.037 -0.132 0.000 1.254 480 A CB -0.685 18.211 19.000 -0.173 0.000 1.114 480 A HN 0.463 nan 8.150 nan 0.000 0.553 481 Q N 1.370 121.102 119.800 -0.113 0.000 2.522 481 Q HA 0.584 4.916 4.340 -0.012 0.000 0.285 481 Q C -1.782 174.168 176.000 -0.084 0.000 0.982 481 Q CA -0.987 54.741 55.803 -0.125 0.000 0.805 481 Q CB 0.850 29.511 28.738 -0.127 0.000 1.457 481 Q HN 0.356 nan 8.270 nan 0.000 0.394 482 L N 3.599 124.767 121.223 -0.092 0.000 2.433 482 L HA 0.291 4.623 4.340 -0.012 0.000 0.284 482 L C -0.232 176.611 176.870 -0.046 0.000 1.120 482 L CA -0.615 54.188 54.840 -0.062 0.000 0.879 482 L CB -1.046 40.971 42.059 -0.071 0.000 1.232 482 L HN 0.780 nan 8.230 nan 0.000 0.454 483 N N 0.000 118.684 118.700 -0.027 0.000 1.763 483 N HA 0.000 4.733 4.740 -0.012 0.000 0.220 483 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 483 N CB 0.000 38.479 38.487 -0.013 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667