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 2g97_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 0.000 175.812 175.800 0.021 0.000 0.967 9 F CA 0.000 58.010 58.000 0.016 0.000 1.383 9 F CB 0.000 39.008 39.000 0.014 0.000 1.145 10 N N 6.009 124.173 118.700 -0.893 0.000 2.425 10 N HA 0.338 5.078 4.740 -0.000 0.000 0.268 10 N C 0.533 175.501 175.510 -0.902 0.000 0.991 10 N CA -0.351 52.286 53.050 -0.689 0.000 0.931 10 N CB 1.186 39.439 38.487 -0.391 0.000 1.130 10 N HN 0.619 nan 8.380 nan 0.000 0.493 11 I N 3.600 123.866 120.570 -0.505 0.000 2.546 11 I HA -0.122 4.048 4.170 -0.000 0.000 0.255 11 I C 2.063 178.221 176.117 0.069 0.000 1.163 11 I CA 0.423 61.678 61.300 -0.075 0.000 1.457 11 I CB -0.108 38.011 38.000 0.199 0.000 1.092 11 I HN 0.550 nan 8.210 nan 0.000 0.434 12 L N 0.579 121.686 121.223 -0.192 0.000 2.187 12 L HA -0.107 4.232 4.340 -0.000 0.000 0.213 12 L C 0.921 178.009 176.870 0.364 0.000 1.100 12 L CA 1.454 56.200 54.840 -0.158 0.000 0.765 12 L CB -0.890 40.890 42.059 -0.464 0.000 0.904 12 L HN 0.375 nan 8.230 nan 0.000 0.437 13 L N -3.502 117.794 121.223 0.120 0.000 2.732 13 L HA 0.603 4.943 4.340 -0.000 0.000 0.246 13 L C 0.188 177.116 176.870 0.097 0.000 1.407 13 L CA -0.155 54.793 54.840 0.180 0.000 0.861 13 L CB 0.289 42.259 42.059 -0.149 0.000 1.161 13 L HN -0.072 nan 8.230 nan 0.000 0.510 14 A N -0.897 122.033 122.820 0.183 0.000 2.663 14 A HA 0.691 5.011 4.320 -0.000 0.000 0.273 14 A C 0.255 177.907 177.584 0.113 0.000 0.932 14 A CA 0.194 52.333 52.037 0.171 0.000 1.055 14 A CB 0.324 19.508 19.000 0.307 0.000 1.206 14 A HN 0.442 nan 8.150 nan 0.000 0.485 15 T N -1.019 113.542 114.554 0.011 0.000 2.838 15 T HA 0.398 4.747 4.350 -0.000 0.000 0.292 15 T C -1.692 172.962 174.700 -0.075 0.000 1.113 15 T CA -0.512 61.495 62.100 -0.156 0.000 1.008 15 T CB 1.216 69.695 68.868 -0.647 0.000 1.259 15 T HN 0.171 nan 8.240 nan 0.000 0.520 16 D N 2.299 122.676 120.400 -0.037 0.000 2.371 16 D HA 0.196 4.835 4.640 -0.000 0.000 0.256 16 D C 1.238 177.608 176.300 0.118 0.000 1.193 16 D CA 0.141 54.195 54.000 0.089 0.000 0.881 16 D CB 1.497 42.459 40.800 0.269 0.000 1.143 16 D HN 0.511 nan 8.370 nan 0.000 0.473 17 S N 2.336 118.100 115.700 0.106 0.000 2.407 17 S HA -0.310 4.159 4.470 -0.000 0.000 0.244 17 S C 1.865 176.627 174.600 0.271 0.000 1.077 17 S CA 1.787 60.070 58.200 0.137 0.000 1.159 17 S CB -0.782 62.373 63.200 -0.076 0.000 1.045 17 S HN 0.782 nan 8.310 nan 0.000 0.438 18 Y N 1.151 121.448 120.300 -0.007 0.000 2.365 18 Y HA -0.122 4.428 4.550 -0.000 0.000 0.287 18 Y C 1.899 177.483 175.900 -0.528 0.000 1.162 18 Y CA 0.986 59.062 58.100 -0.039 0.000 1.260 18 Y CB -0.453 38.062 38.460 0.092 0.000 0.976 18 Y HN 0.172 nan 8.280 nan 0.000 0.548 19 K N 0.865 120.793 120.400 -0.786 0.000 2.103 19 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 19 K C 1.942 178.221 176.600 -0.535 0.000 1.052 19 K CA 1.248 56.675 56.287 -1.433 0.000 0.945 19 K CB -0.179 31.914 32.500 -0.678 0.000 0.722 19 K HN 0.222 nan 8.250 nan 0.000 0.443 20 V N 1.757 121.466 119.914 -0.341 0.000 2.660 20 V HA -0.237 3.883 4.120 -0.000 0.000 0.257 20 V C 2.246 178.345 176.094 0.008 0.000 1.088 20 V CA 2.289 64.549 62.300 -0.065 0.000 1.106 20 V CB -1.020 30.578 31.823 -0.375 0.000 0.686 20 V HN 0.556 nan 8.190 nan 0.000 0.481 21 T N -4.368 110.102 114.554 -0.140 0.000 3.069 21 T HA 0.032 4.381 4.350 -0.000 0.000 0.252 21 T C 1.515 176.235 174.700 0.033 0.000 1.053 21 T CA 0.025 62.077 62.100 -0.081 0.000 0.964 21 T CB -0.206 68.597 68.868 -0.108 0.000 1.005 21 T HN 0.461 nan 8.240 nan 0.000 0.532 22 H N 1.272 120.369 119.070 0.044 0.000 2.389 22 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 22 H C 1.943 177.386 175.328 0.192 0.000 1.081 22 H CA 1.323 57.393 56.048 0.036 0.000 1.345 22 H CB -1.054 28.780 29.762 0.120 0.000 1.393 22 H HN 0.761 nan 8.280 nan 0.000 0.520 23 Y N 1.744 122.262 120.300 0.363 0.000 2.228 23 Y HA -0.228 4.321 4.550 -0.000 0.000 0.285 23 Y C 1.730 177.838 175.900 0.347 0.000 1.178 23 Y CA 1.391 59.692 58.100 0.334 0.000 1.202 23 Y CB -0.394 38.003 38.460 -0.105 0.000 0.974 23 Y HN -0.001 nan 8.280 nan 0.000 0.527 24 K N 0.068 120.075 120.400 -0.655 0.000 2.365 24 K HA -0.003 4.317 4.320 -0.000 0.000 0.197 24 K C 1.818 178.322 176.600 -0.161 0.000 1.042 24 K CA 0.944 56.925 56.287 -0.510 0.000 0.987 24 K CB -0.010 32.071 32.500 -0.698 0.000 0.779 24 K HN 0.542 nan 8.250 nan 0.000 0.484 25 Q N -0.496 119.243 119.800 -0.101 0.000 2.398 25 Q HA 0.032 4.372 4.340 -0.000 0.000 0.204 25 Q C -0.214 175.702 176.000 -0.140 0.000 0.932 25 Q CA 0.278 55.997 55.803 -0.141 0.000 0.916 25 Q CB 0.189 28.793 28.738 -0.224 0.000 1.024 25 Q HN 0.231 nan 8.270 nan 0.000 0.504 26 Y N 1.617 121.958 120.300 0.070 0.000 2.379 26 Y HA 0.077 4.627 4.550 -0.000 0.000 0.337 26 Y C -1.718 174.169 175.900 -0.023 0.000 1.238 26 Y CA -2.182 55.954 58.100 0.060 0.000 1.405 26 Y CB -0.225 38.349 38.460 0.190 0.000 1.310 26 Y HN 0.014 nan 8.280 nan 0.000 0.569 27 P HA -0.024 nan 4.420 nan 0.000 0.267 27 P C -2.569 174.715 177.300 -0.027 0.000 1.195 27 P CA -0.636 62.475 63.100 0.019 0.000 0.773 27 P CB -0.014 31.693 31.700 0.012 0.000 0.837 28 P HA 0.135 nan 4.420 nan 0.000 0.275 28 P C -0.320 176.918 177.300 -0.104 0.000 1.228 28 P CA 0.166 63.217 63.100 -0.083 0.000 0.786 28 P CB 0.307 31.974 31.700 -0.056 0.000 0.927 29 N N -1.168 117.446 118.700 -0.144 0.000 2.815 29 N HA -0.103 4.637 4.740 -0.000 0.000 0.248 29 N C -0.901 174.517 175.510 -0.153 0.000 1.110 29 N CA 0.884 53.856 53.050 -0.129 0.000 0.699 29 N CB -1.933 36.507 38.487 -0.078 0.000 1.040 29 N HN 0.362 nan 8.380 nan 0.000 0.555 30 T N 0.079 114.478 114.554 -0.258 0.000 2.733 30 T HA 0.335 4.685 4.350 -0.000 0.000 0.294 30 T C 1.439 176.005 174.700 -0.222 0.000 0.956 30 T CA 0.071 62.031 62.100 -0.234 0.000 0.987 30 T CB 1.209 69.929 68.868 -0.246 0.000 0.920 30 T HN 0.294 nan 8.240 nan 0.000 0.470 31 S N 2.980 118.624 115.700 -0.092 0.000 2.483 31 S HA 0.213 4.683 4.470 -0.000 0.000 0.221 31 S C 0.585 175.211 174.600 0.044 0.000 1.030 31 S CA -0.151 58.043 58.200 -0.010 0.000 0.925 31 S CB 0.227 63.425 63.200 -0.003 0.000 0.795 31 S HN 0.586 nan 8.310 nan 0.000 0.511 32 K N 0.255 120.660 120.400 0.008 0.000 2.464 32 K HA 0.608 4.928 4.320 -0.000 0.000 0.253 32 K C -2.170 174.445 176.600 0.025 0.000 0.933 32 K CA -0.795 55.519 56.287 0.045 0.000 0.801 32 K CB 2.637 35.185 32.500 0.080 0.000 1.271 32 K HN 0.007 nan 8.250 nan 0.000 0.430 33 V N 6.073 126.034 119.914 0.078 0.000 2.398 33 V HA 0.358 4.478 4.120 -0.000 0.000 0.282 33 V C -1.893 174.331 176.094 0.217 0.000 1.014 33 V CA -0.501 61.853 62.300 0.091 0.000 0.838 33 V CB 0.735 32.528 31.823 -0.050 0.000 1.018 33 V HN 0.781 nan 8.190 nan 0.000 0.432 34 Y N 5.422 125.817 120.300 0.159 0.000 2.341 34 Y HA 0.712 5.262 4.550 -0.000 0.000 0.340 34 Y C 0.306 176.303 175.900 0.161 0.000 0.997 34 Y CA 0.279 58.502 58.100 0.205 0.000 1.149 34 Y CB 1.449 40.105 38.460 0.328 0.000 1.171 34 Y HN 0.635 nan 8.280 nan 0.000 0.494 35 S N 6.154 121.739 115.700 -0.191 0.000 2.542 35 S HA 0.510 4.980 4.470 -0.000 0.000 0.293 35 S C -1.388 172.896 174.600 -0.527 0.000 1.089 35 S CA -0.653 57.349 58.200 -0.330 0.000 0.961 35 S CB 1.071 64.001 63.200 -0.450 0.000 1.062 35 S HN 0.722 nan 8.310 nan 0.000 0.483 36 Y N 0.327 120.191 120.300 -0.728 0.000 2.716 36 Y HA 0.884 5.434 4.550 -0.000 0.000 0.327 36 Y C -1.260 174.277 175.900 -0.606 0.000 1.108 36 Y CA -1.509 56.253 58.100 -0.564 0.000 1.169 36 Y CB 0.922 39.187 38.460 -0.325 0.000 1.348 36 Y HN 0.550 nan 8.280 nan 0.000 0.530 37 F N 1.291 120.717 119.950 -0.873 0.000 2.581 37 F HA 0.592 5.118 4.527 -0.000 0.000 0.311 37 F C -1.433 174.082 175.800 -0.474 0.000 1.113 37 F CA -0.438 57.072 58.000 -0.817 0.000 0.935 37 F CB 1.880 40.124 39.000 -1.261 0.000 1.232 37 F HN 0.830 nan 8.300 nan 0.000 0.445 38 E N 2.854 122.388 120.200 -1.110 0.000 2.423 38 E HA 0.468 4.818 4.350 -0.000 0.000 0.280 38 E C -1.905 174.299 176.600 -0.659 0.000 1.030 38 E CA -1.124 54.901 56.400 -0.626 0.000 0.812 38 E CB 1.408 30.987 29.700 -0.201 0.000 1.313 38 E HN 0.510 nan 8.360 nan 0.000 0.456 39 C N 2.114 121.227 119.300 -0.312 0.000 2.364 39 C HA 0.424 4.883 4.460 -0.000 0.000 0.405 39 C C 0.372 175.297 174.990 -0.108 0.000 1.122 39 C CA -0.585 58.318 59.018 -0.192 0.000 1.601 39 C CB -1.931 25.767 27.740 -0.070 0.000 1.601 39 C HN 0.553 nan 8.230 nan 0.000 0.509 40 R N 2.538 122.967 120.500 -0.119 0.000 2.503 40 R HA -0.026 4.314 4.340 -0.000 0.000 0.271 40 R C 0.981 177.267 176.300 -0.024 0.000 0.960 40 R CA 1.006 57.072 56.100 -0.056 0.000 1.104 40 R CB 0.572 30.841 30.300 -0.051 0.000 0.879 40 R HN 0.765 nan 8.270 nan 0.000 0.420 55 E N 1.455 121.744 120.200 0.148 0.000 2.347 55 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 55 E C 0.390 177.041 176.600 0.085 0.000 1.008 55 E CA 0.819 57.277 56.400 0.097 0.000 0.852 55 E CB 0.379 30.119 29.700 0.067 0.000 0.783 55 E HN 0.622 nan 8.360 nan 0.000 0.505 56 E N 0.479 120.738 120.200 0.098 0.000 2.331 56 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 56 E C -0.760 175.878 176.600 0.063 0.000 0.895 56 E CA -0.854 55.583 56.400 0.061 0.000 0.753 56 E CB 1.733 31.465 29.700 0.053 0.000 1.216 56 E HN -0.096 nan 8.360 nan 0.000 0.434 57 T N -1.222 113.353 114.554 0.035 0.000 2.932 57 T HA 0.511 4.861 4.350 -0.000 0.000 0.289 57 T C -0.192 174.535 174.700 0.045 0.000 1.039 57 T CA -0.832 61.292 62.100 0.040 0.000 1.024 57 T CB 1.492 70.394 68.868 0.057 0.000 1.090 57 T HN 0.281 nan 8.240 nan 0.000 0.496 58 V N 2.929 122.868 119.914 0.041 0.000 2.368 58 V HA 0.326 4.446 4.120 -0.000 0.000 0.266 58 V C -0.309 175.849 176.094 0.108 0.000 1.045 58 V CA -0.793 61.533 62.300 0.042 0.000 0.899 58 V CB -0.044 31.767 31.823 -0.019 0.000 1.006 58 V HN 0.858 nan 8.190 nan 0.000 0.470 59 F N 7.873 127.849 119.950 0.042 0.000 2.438 59 F HA 0.536 5.063 4.527 -0.000 0.000 0.360 59 F C -0.689 175.199 175.800 0.146 0.000 1.118 59 F CA -0.265 57.794 58.000 0.099 0.000 1.164 59 F CB 0.077 39.128 39.000 0.084 0.000 1.131 59 F HN 0.533 nan 8.300 nan 0.000 0.527 60 Y N 4.862 124.761 120.300 -0.670 0.000 2.482 60 Y HA 0.530 5.079 4.550 -0.000 0.000 0.334 60 Y C 0.041 175.667 175.900 -0.457 0.000 1.091 60 Y CA -0.699 57.112 58.100 -0.483 0.000 1.027 60 Y CB 1.887 40.185 38.460 -0.269 0.000 1.306 60 Y HN 0.747 nan 8.280 nan 0.000 0.446 61 G N 3.451 111.518 108.800 -1.221 0.000 2.316 61 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.203 61 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.203 61 G C 0.527 175.195 174.900 -0.386 0.000 0.999 61 G CA 0.153 44.716 45.100 -0.895 0.000 0.649 61 G HN 1.017 nan 8.290 nan 0.000 0.489 62 L N 1.596 122.568 121.223 -0.419 0.000 2.042 62 L HA 0.039 4.378 4.340 -0.000 0.000 0.210 62 L C 2.598 179.385 176.870 -0.138 0.000 1.076 62 L CA 3.366 58.036 54.840 -0.283 0.000 0.749 62 L CB -0.714 41.226 42.059 -0.199 0.000 0.893 62 L HN 0.551 nan 8.230 nan 0.000 0.432 63 Q N -1.910 117.879 119.800 -0.018 0.000 2.197 63 Q HA -0.305 4.035 4.340 -0.000 0.000 0.207 63 Q C 2.206 178.150 176.000 -0.094 0.000 0.984 63 Q CA 2.219 57.998 55.803 -0.040 0.000 0.869 63 Q CB -0.453 28.232 28.738 -0.089 0.000 0.906 63 Q HN 0.720 nan 8.270 nan 0.000 0.426 64 Y N 0.734 120.937 120.300 -0.162 0.000 2.070 64 Y HA -0.196 4.354 4.550 -0.000 0.000 0.279 64 Y C 1.818 177.568 175.900 -0.250 0.000 1.134 64 Y CA 2.026 59.980 58.100 -0.243 0.000 1.113 64 Y CB -0.394 37.926 38.460 -0.233 0.000 0.981 64 Y HN 0.090 nan 8.280 nan 0.000 0.487 65 I N 0.350 120.759 120.570 -0.270 0.000 2.567 65 I HA -0.302 3.868 4.170 -0.000 0.000 0.257 65 I C 2.170 178.147 176.117 -0.233 0.000 1.184 65 I CA 1.071 62.205 61.300 -0.278 0.000 1.451 65 I CB -0.439 37.459 38.000 -0.169 0.000 1.089 65 I HN 0.351 nan 8.210 nan 0.000 0.441 66 L N 0.134 121.220 121.223 -0.228 0.000 2.072 66 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 66 L C 2.343 179.159 176.870 -0.090 0.000 1.079 66 L CA 1.165 55.880 54.840 -0.209 0.000 0.752 66 L CB -0.644 41.327 42.059 -0.147 0.000 0.906 66 L HN 0.304 nan 8.230 nan 0.000 0.436 67 N N 0.311 118.974 118.700 -0.062 0.000 2.135 67 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 67 N C 1.832 177.342 175.510 -0.000 0.000 1.027 67 N CA 1.138 54.205 53.050 0.028 0.000 0.849 67 N CB 0.036 38.622 38.487 0.166 0.000 1.002 67 N HN 0.272 nan 8.380 nan 0.000 0.425 68 K N -0.147 120.159 120.400 -0.157 0.000 2.057 68 K HA -0.103 4.216 4.320 -0.000 0.000 0.206 68 K C 1.105 177.333 176.600 -0.619 0.000 1.050 68 K CA 1.319 57.343 56.287 -0.439 0.000 0.935 68 K CB 0.064 31.939 32.500 -1.042 0.000 0.715 68 K HN 0.162 nan 8.250 nan 0.000 0.439 69 Y N -0.913 119.190 120.300 -0.329 0.000 2.581 69 Y HA 0.156 4.706 4.550 -0.000 0.000 0.271 69 Y C 1.724 177.600 175.900 -0.041 0.000 1.100 69 Y CA -0.232 57.738 58.100 -0.217 0.000 1.281 69 Y CB 0.423 38.691 38.460 -0.319 0.000 1.237 69 Y HN -0.076 nan 8.280 nan 0.000 0.514 70 L N 0.799 122.042 121.223 0.033 0.000 2.200 70 L HA 0.048 4.388 4.340 -0.000 0.000 0.200 70 L C 1.143 178.107 176.870 0.156 0.000 1.072 70 L CA 0.639 55.472 54.840 -0.013 0.000 0.787 70 L CB -0.655 41.149 42.059 -0.425 0.000 0.957 70 L HN 0.203 nan 8.230 nan 0.000 0.459 71 K N 0.424 120.944 120.400 0.201 0.000 2.229 71 K HA 0.262 4.581 4.320 -0.000 0.000 0.250 71 K C 0.785 177.362 176.600 -0.038 0.000 1.016 71 K CA 0.400 56.816 56.287 0.215 0.000 0.866 71 K CB 0.092 32.669 32.500 0.127 0.000 1.028 71 K HN 0.171 nan 8.250 nan 0.000 0.514 72 G N 0.384 109.019 108.800 -0.276 0.000 2.641 72 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.254 72 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.254 72 G C -0.942 173.562 174.900 -0.659 0.000 1.315 72 G CA 0.339 45.128 45.100 -0.518 0.000 0.907 72 G HN 0.869 nan 8.290 nan 0.000 0.572 73 K N 0.553 120.827 120.400 -0.211 0.000 2.262 73 K HA 0.411 4.731 4.320 -0.000 0.000 0.288 73 K C 1.563 178.207 176.600 0.073 0.000 1.090 73 K CA 0.231 56.587 56.287 0.114 0.000 0.918 73 K CB 0.385 33.007 32.500 0.203 0.000 1.139 73 K HN 1.076 nan 8.250 nan 0.000 0.462 74 V N 1.650 121.625 119.914 0.101 0.000 3.590 74 V HA 0.140 4.260 4.120 -0.000 0.000 0.265 74 V C 0.319 176.454 176.094 0.069 0.000 1.239 74 V CA -0.120 62.242 62.300 0.104 0.000 1.117 74 V CB 0.458 32.375 31.823 0.156 0.000 0.818 74 V HN 0.226 nan 8.190 nan 0.000 0.451 75 V N 2.125 122.104 119.914 0.108 0.000 2.581 75 V HA 0.780 4.900 4.120 -0.000 0.000 0.303 75 V C 0.120 176.250 176.094 0.059 0.000 1.041 75 V CA 0.490 62.829 62.300 0.066 0.000 0.907 75 V CB 1.383 33.326 31.823 0.200 0.000 0.994 75 V HN 0.686 nan 8.190 nan 0.000 0.442 76 T N 0.065 114.627 114.554 0.015 0.000 2.894 76 T HA 0.434 4.784 4.350 -0.000 0.000 0.309 76 T C 0.485 175.193 174.700 0.014 0.000 1.208 76 T CA -0.879 61.233 62.100 0.020 0.000 1.016 76 T CB 1.979 70.849 68.868 0.004 0.000 1.192 76 T HN 0.465 nan 8.240 nan 0.000 0.491 77 K N 0.552 120.966 120.400 0.024 0.000 2.059 77 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 77 K C 1.776 178.381 176.600 0.009 0.000 1.050 77 K CA 2.279 58.581 56.287 0.025 0.000 0.927 77 K CB -0.197 32.316 32.500 0.022 0.000 0.714 77 K HN 0.649 nan 8.250 nan 0.000 0.447 78 E N 0.707 120.903 120.200 -0.008 0.000 2.110 78 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 78 E C 1.691 178.257 176.600 -0.056 0.000 0.988 78 E CA 1.280 57.664 56.400 -0.026 0.000 0.804 78 E CB 0.020 29.703 29.700 -0.027 0.000 0.745 78 E HN 0.233 nan 8.360 nan 0.000 0.458 79 K N -0.030 120.328 120.400 -0.070 0.000 2.228 79 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 79 K C 1.947 178.460 176.600 -0.145 0.000 1.051 79 K CA 0.660 56.868 56.287 -0.132 0.000 0.960 79 K CB 0.050 32.456 32.500 -0.156 0.000 0.743 79 K HN 0.144 nan 8.250 nan 0.000 0.458 80 I N 0.568 121.104 120.570 -0.057 0.000 2.500 80 I HA -0.205 3.965 4.170 -0.000 0.000 0.252 80 I C 2.469 178.628 176.117 0.071 0.000 1.142 80 I CA 0.876 62.205 61.300 0.049 0.000 1.451 80 I CB -0.060 38.024 38.000 0.140 0.000 1.093 80 I HN 0.117 nan 8.210 nan 0.000 0.430 81 Q N 1.470 121.281 119.800 0.017 0.000 2.137 81 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 81 Q C 2.004 177.969 176.000 -0.058 0.000 0.960 81 Q CA 1.584 57.394 55.803 0.013 0.000 0.847 81 Q CB -0.108 28.635 28.738 0.008 0.000 0.915 81 Q HN 0.474 nan 8.270 nan 0.000 0.448 82 E N -0.606 119.528 120.200 -0.110 0.000 2.051 82 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 82 E C 1.731 178.171 176.600 -0.267 0.000 0.991 82 E CA 1.086 57.389 56.400 -0.162 0.000 0.799 82 E CB -0.246 29.353 29.700 -0.169 0.000 0.748 82 E HN 0.428 nan 8.360 nan 0.000 0.449 83 A N 1.892 124.491 122.820 -0.368 0.000 1.849 83 A HA -0.295 4.024 4.320 -0.000 0.000 0.217 83 A C 2.166 179.393 177.584 -0.595 0.000 1.202 83 A CA 2.188 53.837 52.037 -0.647 0.000 0.629 83 A CB -0.809 17.654 19.000 -0.896 0.000 0.834 83 A HN 0.305 nan 8.150 nan 0.000 0.447 84 K N -0.223 119.920 120.400 -0.429 0.000 2.059 84 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 84 K C 1.934 178.549 176.600 0.025 0.000 1.050 84 K CA 2.103 58.406 56.287 0.027 0.000 0.927 84 K CB -0.296 32.366 32.500 0.271 0.000 0.714 84 K HN 0.661 nan 8.250 nan 0.000 0.447 85 E N -0.120 120.055 120.200 -0.041 0.000 2.118 85 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 85 E C 2.036 178.605 176.600 -0.050 0.000 0.992 85 E CA 1.537 57.920 56.400 -0.028 0.000 0.804 85 E CB 0.050 29.721 29.700 -0.049 0.000 0.741 85 E HN 0.188 nan 8.360 nan 0.000 0.458 86 V N 0.290 120.107 119.914 -0.161 0.000 2.256 86 V HA -0.214 3.906 4.120 -0.000 0.000 0.240 86 V C 1.835 177.909 176.094 -0.033 0.000 1.036 86 V CA 1.508 63.696 62.300 -0.187 0.000 1.008 86 V CB -0.777 30.806 31.823 -0.399 0.000 0.648 86 V HN 0.273 nan 8.190 nan 0.000 0.453 87 Y N 0.247 120.612 120.300 0.108 0.000 2.538 87 Y HA -0.267 4.282 4.550 -0.000 0.000 0.287 87 Y C 2.656 178.762 175.900 0.343 0.000 1.157 87 Y CA 1.324 59.614 58.100 0.318 0.000 1.338 87 Y CB -0.247 38.375 38.460 0.269 0.000 0.970 87 Y HN 0.153 nan 8.280 nan 0.000 0.564 88 R N 1.044 121.728 120.500 0.307 0.000 2.062 88 R HA -0.128 4.212 4.340 -0.000 0.000 0.226 88 R C 2.049 178.475 176.300 0.211 0.000 1.125 88 R CA 1.852 58.097 56.100 0.242 0.000 0.966 88 R CB -0.389 30.003 30.300 0.154 0.000 0.861 88 R HN 0.436 nan 8.270 nan 0.000 0.433 89 E N -1.105 119.189 120.200 0.157 0.000 2.051 89 E HA -0.219 4.130 4.350 -0.000 0.000 0.189 89 E C 1.807 178.502 176.600 0.159 0.000 0.979 89 E CA 0.979 57.447 56.400 0.113 0.000 0.803 89 E CB -0.284 29.442 29.700 0.044 0.000 0.761 89 E HN 0.644 nan 8.360 nan 0.000 0.451 90 H N -1.390 117.711 119.070 0.051 0.000 2.319 90 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 90 H C 1.215 176.479 175.328 -0.106 0.000 1.092 90 H CA 1.643 57.664 56.048 -0.046 0.000 1.302 90 H CB 0.043 29.772 29.762 -0.054 0.000 1.373 90 H HN 0.199 nan 8.280 nan 0.000 0.497 91 F N 0.576 120.644 119.950 0.196 0.000 2.765 91 F HA 0.055 4.582 4.527 -0.000 0.000 0.302 91 F C 0.631 176.489 175.800 0.098 0.000 1.111 91 F CA -0.073 57.982 58.000 0.092 0.000 1.359 91 F CB 0.498 39.538 39.000 0.067 0.000 1.097 91 F HN 0.101 nan 8.300 nan 0.000 0.577 92 Q N 1.169 121.117 119.800 0.245 0.000 2.435 92 Q HA -0.272 4.068 4.340 -0.000 0.000 0.286 92 Q C -0.872 175.231 176.000 0.172 0.000 1.229 92 Q CA 1.466 57.370 55.803 0.168 0.000 0.884 92 Q CB -1.661 27.152 28.738 0.124 0.000 1.245 92 Q HN 0.631 nan 8.270 nan 0.000 0.488 93 D N -1.577 118.949 120.400 0.210 0.000 2.926 93 D HA 0.093 4.733 4.640 -0.000 0.000 0.272 93 D C -1.603 174.802 176.300 0.175 0.000 1.172 93 D CA -0.505 53.592 54.000 0.162 0.000 0.731 93 D CB 0.670 41.553 40.800 0.139 0.000 1.282 93 D HN -0.027 nan 8.370 nan 0.000 0.430 94 D N 2.123 122.601 120.400 0.130 0.000 2.767 94 D HA 0.165 4.805 4.640 -0.000 0.000 0.241 94 D C 1.068 177.427 176.300 0.098 0.000 1.187 94 D CA 0.015 54.103 54.000 0.146 0.000 0.999 94 D CB 0.581 41.459 40.800 0.130 0.000 1.042 94 D HN 0.147 nan 8.370 nan 0.000 0.510 95 V N 2.063 121.991 119.914 0.024 0.000 2.453 95 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 95 V C 1.378 177.487 176.094 0.025 0.000 1.048 95 V CA 0.314 62.570 62.300 -0.073 0.000 1.049 95 V CB -0.686 30.890 31.823 -0.412 0.000 0.672 95 V HN 0.404 nan 8.190 nan 0.000 0.457 96 F N 3.106 122.988 119.950 -0.114 0.000 2.594 96 F HA -0.098 4.429 4.527 -0.000 0.000 0.384 96 F C 0.680 176.416 175.800 -0.107 0.000 1.060 96 F CA -0.236 57.729 58.000 -0.058 0.000 1.278 96 F CB -0.196 38.888 39.000 0.139 0.000 0.977 96 F HN 0.164 nan 8.300 nan 0.000 0.576 97 N N 4.908 122.981 118.700 -1.046 0.000 3.034 97 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 97 N C 0.933 175.558 175.510 -1.475 0.000 1.166 97 N CA 0.160 52.389 53.050 -1.369 0.000 1.081 97 N CB -0.111 37.257 38.487 -1.866 0.000 1.378 97 N HN 0.819 nan 8.380 nan 0.000 0.520 98 E N 1.976 121.425 120.200 -1.251 0.000 2.152 98 E HA -0.172 4.177 4.350 -0.000 0.000 0.192 98 E C 1.636 178.041 176.600 -0.324 0.000 0.983 98 E CA 0.480 56.477 56.400 -0.673 0.000 0.818 98 E CB 0.177 29.767 29.700 -0.182 0.000 0.758 98 E HN 0.551 nan 8.360 nan 0.000 0.467 99 R N -0.220 120.055 120.500 -0.374 0.000 2.073 99 R HA -0.116 4.223 4.340 -0.000 0.000 0.234 99 R C 2.314 178.486 176.300 -0.214 0.000 1.134 99 R CA 1.705 57.663 56.100 -0.237 0.000 0.952 99 R CB -0.471 29.682 30.300 -0.244 0.000 0.850 99 R HN 0.226 nan 8.270 nan 0.000 0.433 100 G N -0.890 107.638 108.800 -0.454 0.000 2.421 100 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 100 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 100 G C 1.043 175.888 174.900 -0.093 0.000 1.143 100 G CA 0.201 45.077 45.100 -0.374 0.000 0.784 100 G HN 0.424 nan 8.290 nan 0.000 0.541 101 W N 0.641 121.794 121.300 -0.245 0.000 2.409 101 W HA 0.035 4.695 4.660 -0.000 0.000 0.299 101 W C 2.579 179.136 176.519 0.064 0.000 1.203 101 W CA 0.539 57.879 57.345 -0.008 0.000 1.298 101 W CB 0.068 29.482 29.460 -0.076 0.000 1.127 101 W HN 0.106 nan 8.180 nan 0.000 0.528 102 N N -0.312 118.547 118.700 0.266 0.000 2.289 102 N HA -0.246 4.494 4.740 -0.000 0.000 0.184 102 N C 1.491 177.109 175.510 0.181 0.000 1.016 102 N CA 1.304 54.466 53.050 0.187 0.000 0.872 102 N CB -0.429 38.123 38.487 0.109 0.000 0.973 102 N HN 0.235 nan 8.380 nan 0.000 0.433 103 Y N 1.470 121.811 120.300 0.068 0.000 2.163 103 Y HA -0.028 4.522 4.550 -0.000 0.000 0.288 103 Y C 2.225 178.170 175.900 0.076 0.000 1.136 103 Y CA 1.281 59.407 58.100 0.044 0.000 1.147 103 Y CB -0.481 37.999 38.460 0.034 0.000 0.987 103 Y HN -0.016 nan 8.280 nan 0.000 0.509 104 I N -0.403 120.205 120.570 0.063 0.000 2.286 104 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 104 I C 2.295 178.458 176.117 0.076 0.000 1.115 104 I CA 1.051 62.385 61.300 0.057 0.000 1.392 104 I CB -0.492 37.644 38.000 0.226 0.000 1.065 104 I HN 0.318 nan 8.210 nan 0.000 0.418 105 L N 1.101 122.402 121.223 0.130 0.000 1.989 105 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 105 L C 2.355 179.232 176.870 0.012 0.000 1.071 105 L CA 1.974 56.877 54.840 0.106 0.000 0.749 105 L CB -0.701 41.430 42.059 0.120 0.000 0.890 105 L HN 0.232 nan 8.230 nan 0.000 0.431 106 E N -0.727 119.445 120.200 -0.048 0.000 2.016 106 E HA -0.235 4.115 4.350 -0.000 0.000 0.190 106 E C 2.134 178.607 176.600 -0.211 0.000 0.985 106 E CA 1.031 57.373 56.400 -0.096 0.000 0.802 106 E CB -0.233 29.427 29.700 -0.067 0.000 0.762 106 E HN 0.227 nan 8.360 nan 0.000 0.448 107 K N 0.834 120.983 120.400 -0.417 0.000 2.044 107 K HA -0.166 4.153 4.320 -0.000 0.000 0.210 107 K C 0.406 176.584 176.600 -0.703 0.000 1.049 107 K CA 1.522 57.388 56.287 -0.701 0.000 0.927 107 K CB -0.208 31.533 32.500 -1.265 0.000 0.713 107 K HN 0.206 nan 8.250 nan 0.000 0.443 108 Y N 0.295 120.484 120.300 -0.186 0.000 2.557 108 Y HA 0.211 4.761 4.550 -0.000 0.000 0.352 108 Y C -0.555 175.282 175.900 -0.104 0.000 0.918 108 Y CA -0.912 57.107 58.100 -0.135 0.000 1.232 108 Y CB 0.048 38.450 38.460 -0.097 0.000 1.235 108 Y HN 0.091 nan 8.280 nan 0.000 0.596 109 D N 1.725 122.121 120.400 -0.006 0.000 2.859 109 D HA -0.238 4.402 4.640 -0.000 0.000 0.214 109 D C 1.537 177.918 176.300 0.135 0.000 1.250 109 D CA 1.937 55.943 54.000 0.011 0.000 0.635 109 D CB -0.794 39.968 40.800 -0.064 0.000 0.961 109 D HN 0.882 nan 8.370 nan 0.000 0.395 110 G N 0.098 109.005 108.800 0.177 0.000 2.302 110 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.263 110 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.263 110 G C 0.441 175.539 174.900 0.332 0.000 0.995 110 G CA 0.558 45.807 45.100 0.248 0.000 0.622 110 G HN 0.720 nan 8.290 nan 0.000 0.538 111 H N 0.088 119.233 119.070 0.125 0.000 2.790 111 H HA 0.354 4.910 4.556 -0.000 0.000 0.358 111 H C 0.838 176.216 175.328 0.084 0.000 1.103 111 H CA -0.296 55.807 56.048 0.093 0.000 1.426 111 H CB 0.633 30.407 29.762 0.022 0.000 1.424 111 H HN 0.166 nan 8.280 nan 0.000 0.599 112 L N 5.474 126.816 121.223 0.198 0.000 2.360 112 L HA 0.120 4.460 4.340 -0.000 0.000 0.276 112 L C -1.671 175.189 176.870 -0.017 0.000 1.121 112 L CA -1.784 53.135 54.840 0.132 0.000 0.845 112 L CB 0.633 42.833 42.059 0.236 0.000 1.143 112 L HN 0.465 nan 8.230 nan 0.000 0.452 113 P HA 0.149 nan 4.420 nan 0.000 0.218 113 P C -0.690 176.514 177.300 -0.160 0.000 1.793 113 P CA 0.121 63.018 63.100 -0.339 0.000 0.941 113 P CB -0.437 30.969 31.700 -0.491 0.000 1.919 114 I N -3.254 117.305 120.570 -0.019 0.000 2.785 114 I HA 0.648 4.817 4.170 -0.000 0.000 0.302 114 I C -0.835 175.376 176.117 0.158 0.000 1.069 114 I CA -1.513 59.837 61.300 0.085 0.000 1.045 114 I CB 3.089 41.182 38.000 0.156 0.000 1.236 114 I HN -0.195 nan 8.210 nan 0.000 0.429 115 E N 3.396 123.694 120.200 0.163 0.000 2.199 115 E HA 0.670 5.020 4.350 -0.000 0.000 0.269 115 E C -1.772 174.972 176.600 0.240 0.000 0.899 115 E CA -0.858 55.648 56.400 0.177 0.000 0.772 115 E CB 2.510 32.286 29.700 0.126 0.000 1.155 115 E HN 0.598 nan 8.360 nan 0.000 0.408 116 V N 4.670 124.749 119.914 0.275 0.000 2.482 116 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 116 V C -0.471 175.759 176.094 0.227 0.000 1.026 116 V CA -0.901 61.551 62.300 0.254 0.000 0.856 116 V CB 1.601 33.555 31.823 0.219 0.000 1.001 116 V HN 0.599 nan 8.190 nan 0.000 0.424 117 K N 3.035 123.568 120.400 0.223 0.000 2.156 117 K HA 0.965 5.284 4.320 -0.000 0.000 0.250 117 K C -0.436 176.281 176.600 0.195 0.000 0.955 117 K CA -0.635 55.771 56.287 0.198 0.000 0.855 117 K CB 2.617 35.220 32.500 0.173 0.000 1.101 117 K HN 0.851 nan 8.250 nan 0.000 0.434 118 A N 0.513 123.417 122.820 0.140 0.000 2.597 118 A HA 0.401 4.721 4.320 -0.000 0.000 0.292 118 A C -0.984 176.544 177.584 -0.092 0.000 1.057 118 A CA -0.922 51.121 52.037 0.009 0.000 0.674 118 A CB 0.751 19.763 19.000 0.021 0.000 1.278 118 A HN 0.451 nan 8.150 nan 0.000 0.416 119 V N -0.110 119.602 119.914 -0.336 0.000 2.637 119 V HA 0.507 4.627 4.120 -0.000 0.000 0.296 119 V C -2.173 173.811 176.094 -0.183 0.000 1.046 119 V CA -1.524 60.611 62.300 -0.275 0.000 1.066 119 V CB 0.160 31.780 31.823 -0.338 0.000 0.968 119 V HN 0.749 nan 8.190 nan 0.000 0.483 120 P HA -0.020 nan 4.420 nan 0.000 0.261 120 P C 0.059 177.122 177.300 -0.394 0.000 1.173 120 P CA 0.333 63.117 63.100 -0.528 0.000 0.760 120 P CB 0.363 31.794 31.700 -0.448 0.000 0.783 121 E N 1.805 121.732 120.200 -0.455 0.000 2.568 121 E HA 0.026 4.376 4.350 -0.000 0.000 0.262 121 E C 1.500 178.107 176.600 0.010 0.000 0.961 121 E CA 1.623 58.084 56.400 0.102 0.000 0.945 121 E CB -0.212 29.696 29.700 0.348 0.000 0.924 121 E HN 0.839 nan 8.360 nan 0.000 0.467 122 G N 2.783 111.647 108.800 0.106 0.000 2.234 122 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.235 122 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.235 122 G C 0.401 175.297 174.900 -0.007 0.000 0.997 122 G CA 0.182 45.266 45.100 -0.027 0.000 0.623 122 G HN 0.486 nan 8.290 nan 0.000 0.514 123 S N 0.129 115.848 115.700 0.032 0.000 2.558 123 S HA 0.338 4.808 4.470 -0.000 0.000 0.293 123 S C 0.618 175.211 174.600 -0.013 0.000 1.292 123 S CA 0.337 58.536 58.200 -0.001 0.000 1.063 123 S CB 1.696 64.872 63.200 -0.039 0.000 0.831 123 S HN 0.858 nan 8.310 nan 0.000 0.499 124 V N 5.775 125.664 119.914 -0.043 0.000 2.270 124 V HA 0.265 4.385 4.120 -0.000 0.000 0.263 124 V C -0.134 175.855 176.094 -0.173 0.000 1.066 124 V CA -0.434 61.836 62.300 -0.049 0.000 0.857 124 V CB -0.220 31.604 31.823 0.003 0.000 1.099 124 V HN 0.632 nan 8.190 nan 0.000 0.476 125 I N 7.160 127.583 120.570 -0.245 0.000 2.377 125 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 125 I C -2.111 173.902 176.117 -0.173 0.000 0.987 125 I CA -2.802 58.230 61.300 -0.446 0.000 1.185 125 I CB 1.893 39.601 38.000 -0.487 0.000 1.341 125 I HN 0.312 nan 8.210 nan 0.000 0.455 126 P HA 0.118 nan 4.420 nan 0.000 0.272 126 P C -0.286 177.011 177.300 -0.005 0.000 1.223 126 P CA -0.567 62.534 63.100 0.001 0.000 0.784 126 P CB 0.529 32.268 31.700 0.065 0.000 0.923 127 R N 1.208 121.719 120.500 0.018 0.000 2.619 127 R HA 0.155 4.494 4.340 -0.000 0.000 0.268 127 R C 1.605 177.907 176.300 0.003 0.000 0.990 127 R CA 1.279 57.385 56.100 0.010 0.000 1.092 127 R CB -1.521 28.796 30.300 0.027 0.000 0.935 127 R HN 0.958 nan 8.270 nan 0.000 0.415 128 G N 1.545 110.339 108.800 -0.011 0.000 2.176 128 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.232 128 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.232 128 G C 0.109 175.008 174.900 -0.003 0.000 0.986 128 G CA -0.226 44.872 45.100 -0.004 0.000 0.643 128 G HN 0.578 nan 8.290 nan 0.000 0.522 129 N N -0.029 118.660 118.700 -0.018 0.000 2.492 129 N HA 0.428 5.168 4.740 -0.000 0.000 0.289 129 N C 0.007 175.509 175.510 -0.013 0.000 1.133 129 N CA -0.166 52.868 53.050 -0.027 0.000 0.961 129 N CB 2.359 40.807 38.487 -0.066 0.000 1.186 129 N HN 0.190 nan 8.380 nan 0.000 0.493 130 V N 3.520 123.429 119.914 -0.007 0.000 2.439 130 V HA 0.077 4.197 4.120 -0.000 0.000 0.271 130 V C 1.110 177.185 176.094 -0.032 0.000 1.040 130 V CA 0.272 62.593 62.300 0.035 0.000 1.002 130 V CB -0.303 31.529 31.823 0.015 0.000 1.000 130 V HN 0.558 nan 8.190 nan 0.000 0.477 131 L N 6.991 128.213 121.223 -0.001 0.000 2.298 131 L HA 0.366 4.706 4.340 -0.000 0.000 0.209 131 L C 0.257 177.042 176.870 -0.141 0.000 1.084 131 L CA 0.450 55.239 54.840 -0.085 0.000 0.816 131 L CB 0.022 42.225 42.059 0.240 0.000 0.967 131 L HN 0.770 nan 8.230 nan 0.000 0.460 132 F N -1.564 118.401 119.950 0.025 0.000 2.703 132 F HA 0.554 5.081 4.527 -0.000 0.000 0.308 132 F C -0.798 175.079 175.800 0.129 0.000 1.126 132 F CA -1.218 56.794 58.000 0.019 0.000 0.959 132 F CB 0.855 39.871 39.000 0.027 0.000 1.297 132 F HN -0.174 nan 8.300 nan 0.000 0.441 133 T N 0.184 114.947 114.554 0.349 0.000 2.907 133 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 133 T C -1.702 173.155 174.700 0.262 0.000 1.043 133 T CA -0.848 61.322 62.100 0.116 0.000 1.003 133 T CB 1.720 70.488 68.868 -0.165 0.000 1.084 133 T HN 0.929 nan 8.240 nan 0.000 0.483 134 V N 2.486 122.485 119.914 0.143 0.000 2.686 134 V HA 0.725 4.844 4.120 -0.000 0.000 0.306 134 V C -0.560 175.598 176.094 0.107 0.000 1.065 134 V CA -0.749 61.695 62.300 0.241 0.000 0.894 134 V CB 1.540 33.657 31.823 0.489 0.000 1.004 134 V HN 1.176 nan 8.190 nan 0.000 0.424 135 E N 3.458 123.748 120.200 0.149 0.000 2.413 135 E HA 0.463 4.813 4.350 -0.000 0.000 0.277 135 E C -1.550 175.125 176.600 0.124 0.000 0.958 135 E CA -1.033 55.472 56.400 0.174 0.000 0.779 135 E CB 2.128 32.018 29.700 0.317 0.000 1.278 135 E HN 0.597 nan 8.360 nan 0.000 0.456 136 N N 1.046 119.793 118.700 0.079 0.000 2.472 136 N HA 0.036 4.776 4.740 -0.000 0.000 0.277 136 N C 0.559 176.088 175.510 0.033 0.000 1.081 136 N CA -0.010 53.038 53.050 -0.003 0.000 0.973 136 N CB 1.468 39.904 38.487 -0.084 0.000 1.105 136 N HN 0.687 nan 8.380 nan 0.000 0.470 137 T N -2.604 111.947 114.554 -0.004 0.000 3.067 137 T HA -0.051 4.299 4.350 -0.000 0.000 0.257 137 T C 0.151 174.864 174.700 0.022 0.000 1.105 137 T CA 0.371 62.474 62.100 0.005 0.000 1.104 137 T CB -0.023 68.815 68.868 -0.050 0.000 0.925 137 T HN 0.524 nan 8.240 nan 0.000 0.498 138 D N 2.291 122.705 120.400 0.024 0.000 2.414 138 D HA 0.303 4.943 4.640 -0.000 0.000 0.232 138 D C -1.629 174.751 176.300 0.133 0.000 1.070 138 D CA -2.787 51.292 54.000 0.132 0.000 0.839 138 D CB 2.192 43.151 40.800 0.266 0.000 1.079 138 D HN -0.101 nan 8.370 nan 0.000 0.521 139 P HA -0.213 nan 4.420 nan 0.000 0.218 139 P C 0.671 178.081 177.300 0.183 0.000 1.147 139 P CA 1.092 64.268 63.100 0.127 0.000 0.827 139 P CB 0.564 32.321 31.700 0.094 0.000 0.778 140 E N -1.076 119.241 120.200 0.196 0.000 2.299 140 E HA -0.019 4.330 4.350 -0.000 0.000 0.193 140 E C 1.178 177.939 176.600 0.268 0.000 0.998 140 E CA 0.464 56.991 56.400 0.212 0.000 0.851 140 E CB -0.555 29.109 29.700 -0.060 0.000 0.795 140 E HN 0.308 nan 8.360 nan 0.000 0.492 141 C N 2.347 121.683 119.300 0.059 0.000 2.271 141 C HA 0.107 4.567 4.460 -0.000 0.000 0.364 141 C C 1.725 176.320 174.990 -0.658 0.000 1.337 141 C CA -0.868 57.854 59.018 -0.493 0.000 1.753 141 C CB -2.566 24.908 27.740 -0.443 0.000 2.123 141 C HN 0.436 nan 8.230 nan 0.000 0.577 142 Y N -0.691 119.470 120.300 -0.231 0.000 2.569 142 Y HA -0.099 4.450 4.550 -0.000 0.000 0.293 142 Y C 1.966 177.696 175.900 -0.284 0.000 1.144 142 Y CA 0.744 58.718 58.100 -0.210 0.000 1.321 142 Y CB -0.677 37.713 38.460 -0.117 0.000 0.982 142 Y HN 0.671 nan 8.280 nan 0.000 0.558 143 W N -0.296 120.422 121.300 -0.971 0.000 3.114 143 W HA 0.232 4.892 4.660 -0.000 0.000 0.279 143 W C 1.283 177.700 176.519 -0.171 0.000 1.277 143 W CA -0.272 56.731 57.345 -0.569 0.000 1.630 143 W CB -0.888 28.213 29.460 -0.599 0.000 1.087 143 W HN 0.233 nan 8.180 nan 0.000 0.637 144 L N 1.788 122.275 121.223 -1.226 0.000 2.072 144 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 144 L C 2.515 179.283 176.870 -0.169 0.000 1.079 144 L CA 2.006 56.285 54.840 -0.934 0.000 0.752 144 L CB -0.669 40.670 42.059 -1.200 0.000 0.906 144 L HN -0.149 nan 8.230 nan 0.000 0.436 145 T N 0.296 114.776 114.554 -0.124 0.000 2.564 145 T HA -0.287 4.063 4.350 -0.000 0.000 0.264 145 T C 1.606 176.467 174.700 0.268 0.000 1.100 145 T CA 2.140 64.302 62.100 0.102 0.000 1.171 145 T CB -0.373 68.567 68.868 0.120 0.000 0.863 145 T HN 0.409 nan 8.240 nan 0.000 0.430 146 N N -0.171 118.726 118.700 0.330 0.000 2.457 146 N HA -0.063 4.677 4.740 -0.000 0.000 0.180 146 N C 1.630 177.354 175.510 0.355 0.000 1.050 146 N CA 0.364 53.667 53.050 0.422 0.000 0.906 146 N CB -0.156 38.620 38.487 0.483 0.000 0.968 146 N HN 0.567 nan 8.380 nan 0.000 0.445 147 W N 3.016 124.439 121.300 0.205 0.000 2.321 147 W HA -0.131 4.529 4.660 -0.000 0.000 0.306 147 W C 1.437 178.059 176.519 0.172 0.000 1.217 147 W CA 0.959 58.449 57.345 0.241 0.000 1.257 147 W CB -0.087 29.558 29.460 0.307 0.000 1.145 147 W HN -0.007 nan 8.180 nan 0.000 0.509 148 I N -0.441 120.357 120.570 0.380 0.000 3.810 148 I HA 0.087 4.257 4.170 -0.000 0.000 0.322 148 I C 1.784 177.836 176.117 -0.108 0.000 1.288 148 I CA 0.750 62.160 61.300 0.185 0.000 1.143 148 I CB -0.745 37.353 38.000 0.164 0.000 1.012 148 I HN -0.011 nan 8.210 nan 0.000 0.423 149 E N 2.084 122.177 120.200 -0.177 0.000 2.077 149 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 149 E C 1.543 177.966 176.600 -0.295 0.000 0.989 149 E CA 2.112 58.166 56.400 -0.575 0.000 0.800 149 E CB -0.092 29.485 29.700 -0.205 0.000 0.746 149 E HN 0.522 nan 8.360 nan 0.000 0.452 150 T N 1.592 116.084 114.554 -0.103 0.000 2.588 150 T HA -0.178 4.172 4.350 -0.000 0.000 0.261 150 T C 1.905 176.570 174.700 -0.058 0.000 1.069 150 T CA 1.344 63.423 62.100 -0.035 0.000 1.172 150 T CB -0.510 68.351 68.868 -0.011 0.000 0.863 150 T HN 0.245 nan 8.240 nan 0.000 0.408 151 I N 1.348 121.877 120.570 -0.070 0.000 2.113 151 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 151 I C 2.083 178.096 176.117 -0.175 0.000 1.064 151 I CA 1.547 62.771 61.300 -0.125 0.000 1.320 151 I CB -0.546 37.412 38.000 -0.070 0.000 1.028 151 I HN 0.232 nan 8.210 nan 0.000 0.406 152 L N -0.875 120.234 121.223 -0.190 0.000 2.201 152 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 152 L C 2.465 179.241 176.870 -0.157 0.000 1.105 152 L CA 0.597 55.293 54.840 -0.239 0.000 0.775 152 L CB -0.519 41.364 42.059 -0.293 0.000 0.913 152 L HN 0.137 nan 8.230 nan 0.000 0.440 153 V N -0.416 119.459 119.914 -0.065 0.000 2.515 153 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 153 V C 2.103 178.359 176.094 0.271 0.000 1.058 153 V CA 1.319 63.709 62.300 0.151 0.000 1.064 153 V CB -0.449 31.507 31.823 0.221 0.000 0.675 153 V HN 0.528 nan 8.190 nan 0.000 0.461 154 Q N 0.339 120.223 119.800 0.141 0.000 2.615 154 Q HA -0.141 4.198 4.340 -0.000 0.000 0.220 154 Q C 2.065 177.930 176.000 -0.225 0.000 0.981 154 Q CA 1.215 57.053 55.803 0.059 0.000 0.939 154 Q CB -0.310 28.395 28.738 -0.054 0.000 0.982 154 Q HN 0.824 nan 8.270 nan 0.000 0.550 155 S N -0.328 115.279 115.700 -0.157 0.000 2.501 155 S HA -0.079 4.390 4.470 -0.000 0.000 0.220 155 S C 1.567 176.043 174.600 -0.206 0.000 0.997 155 S CA -0.289 57.747 58.200 -0.273 0.000 0.919 155 S CB -0.579 62.417 63.200 -0.339 0.000 0.778 155 S HN 0.694 nan 8.310 nan 0.000 0.523 156 W N 1.065 122.416 121.300 0.086 0.000 2.331 156 W HA -0.258 4.402 4.660 -0.001 0.000 0.291 156 W C 1.699 178.293 176.519 0.125 0.000 1.214 156 W CA 0.897 58.367 57.345 0.208 0.000 1.228 156 W CB -1.185 28.423 29.460 0.247 0.000 1.135 156 W HN 0.356 nan 8.180 nan 0.000 0.537 157 Y N 4.411 123.775 120.300 -1.560 0.000 2.062 157 Y HA -0.161 4.389 4.550 -0.000 0.000 0.272 157 Y C 0.002 175.529 175.900 -0.622 0.000 1.117 157 Y CA 2.336 59.496 58.100 -1.565 0.000 1.095 157 Y CB -2.061 35.470 38.460 -1.547 0.000 0.985 157 Y HN -0.250 nan 8.280 nan 0.000 0.479 158 P HA -0.226 nan 4.420 nan 0.000 0.218 158 P C 1.796 178.928 177.300 -0.281 0.000 1.146 158 P CA 2.133 64.926 63.100 -0.511 0.000 0.820 158 P CB -0.231 31.195 31.700 -0.456 0.000 0.778 159 I N -0.425 120.002 120.570 -0.239 0.000 2.193 159 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 159 I C 2.439 178.511 176.117 -0.075 0.000 1.084 159 I CA 1.694 62.939 61.300 -0.093 0.000 1.365 159 I CB -1.102 36.913 38.000 0.026 0.000 1.064 159 I HN -0.006 nan 8.210 nan 0.000 0.410 160 T N 0.770 115.281 114.554 -0.072 0.000 2.595 160 T HA -0.177 4.173 4.350 -0.000 0.000 0.264 160 T C 2.002 176.618 174.700 -0.140 0.000 1.058 160 T CA 1.724 63.792 62.100 -0.054 0.000 1.166 160 T CB -0.508 68.441 68.868 0.136 0.000 0.863 160 T HN 0.069 nan 8.240 nan 0.000 0.415 161 V N 2.140 121.887 119.914 -0.278 0.000 2.220 161 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 161 V C 2.933 178.947 176.094 -0.133 0.000 1.056 161 V CA 2.037 64.186 62.300 -0.252 0.000 1.016 161 V CB -1.501 30.057 31.823 -0.442 0.000 0.639 161 V HN 0.602 nan 8.190 nan 0.000 0.446 162 A N -0.245 122.494 122.820 -0.136 0.000 1.915 162 A HA -0.325 3.994 4.320 -0.000 0.000 0.220 162 A C 2.349 179.897 177.584 -0.060 0.000 1.198 162 A CA 3.123 55.104 52.037 -0.092 0.000 0.647 162 A CB -1.182 17.785 19.000 -0.056 0.000 0.825 162 A HN 0.605 nan 8.150 nan 0.000 0.456 163 T N 0.035 114.557 114.554 -0.054 0.000 2.668 163 T HA -0.142 4.208 4.350 -0.000 0.000 0.258 163 T C 1.995 176.719 174.700 0.040 0.000 1.051 163 T CA 1.109 63.196 62.100 -0.023 0.000 1.155 163 T CB -0.521 68.295 68.868 -0.087 0.000 0.864 163 T HN 0.567 nan 8.240 nan 0.000 0.413 164 N N 0.987 119.697 118.700 0.016 0.000 2.094 164 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 164 N C 2.121 177.703 175.510 0.120 0.000 1.023 164 N CA 1.651 54.788 53.050 0.145 0.000 0.857 164 N CB -0.442 38.100 38.487 0.092 0.000 1.013 164 N HN 0.289 nan 8.380 nan 0.000 0.426 165 S N 0.513 116.255 115.700 0.070 0.000 2.353 165 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 165 S C 1.994 176.704 174.600 0.182 0.000 1.035 165 S CA 1.202 59.463 58.200 0.103 0.000 1.025 165 S CB -0.239 63.008 63.200 0.079 0.000 0.902 165 S HN 0.450 nan 8.310 nan 0.000 0.440 166 R N 0.271 120.832 120.500 0.102 0.000 2.193 166 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 166 R C 1.866 178.212 176.300 0.076 0.000 1.110 166 R CA 1.294 57.427 56.100 0.054 0.000 0.988 166 R CB -0.054 30.235 30.300 -0.019 0.000 0.871 166 R HN 0.374 nan 8.270 nan 0.000 0.458 167 E N 0.439 120.709 120.200 0.117 0.000 2.122 167 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 167 E C 1.847 178.493 176.600 0.077 0.000 0.977 167 E CA 0.926 57.389 56.400 0.105 0.000 0.820 167 E CB 0.034 29.836 29.700 0.170 0.000 0.770 167 E HN 0.527 nan 8.360 nan 0.000 0.462 168 Q N 0.592 120.449 119.800 0.095 0.000 2.291 168 Q HA -0.093 4.247 4.340 -0.000 0.000 0.205 168 Q C 2.075 178.163 176.000 0.146 0.000 0.970 168 Q CA 0.947 56.782 55.803 0.054 0.000 0.876 168 Q CB 0.004 28.740 28.738 -0.003 0.000 0.935 168 Q HN 0.075 nan 8.270 nan 0.000 0.455 169 K N 1.482 122.040 120.400 0.263 0.000 2.001 169 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 169 K C 1.774 178.422 176.600 0.079 0.000 1.048 169 K CA 1.156 57.597 56.287 0.258 0.000 0.932 169 K CB 0.171 32.621 32.500 -0.084 0.000 0.715 169 K HN -0.019 nan 8.250 nan 0.000 0.437 170 K N 0.601 121.024 120.400 0.039 0.000 2.074 170 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 170 K C 2.111 178.749 176.600 0.063 0.000 1.048 170 K CA 1.884 58.188 56.287 0.028 0.000 0.926 170 K CB -0.291 32.222 32.500 0.022 0.000 0.713 170 K HN 0.222 nan 8.250 nan 0.000 0.444 171 I N 1.132 121.739 120.570 0.063 0.000 2.208 171 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 171 I C 2.265 178.447 176.117 0.108 0.000 1.097 171 I CA 1.326 62.672 61.300 0.078 0.000 1.363 171 I CB -0.298 37.684 38.000 -0.031 0.000 1.051 171 I HN 0.146 nan 8.210 nan 0.000 0.413 172 L N 0.216 121.482 121.223 0.071 0.000 2.156 172 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 172 L C 2.803 179.747 176.870 0.124 0.000 1.095 172 L CA 0.945 55.843 54.840 0.097 0.000 0.770 172 L CB -0.536 41.606 42.059 0.138 0.000 0.914 172 L HN 0.218 nan 8.230 nan 0.000 0.439 173 A N 0.345 123.218 122.820 0.088 0.000 1.855 173 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 173 A C 2.284 179.899 177.584 0.051 0.000 1.191 173 A CA 1.961 54.027 52.037 0.048 0.000 0.613 173 A CB -0.432 18.570 19.000 0.004 0.000 0.829 173 A HN 0.224 nan 8.150 nan 0.000 0.442 174 K N -1.181 119.259 120.400 0.068 0.000 2.044 174 K HA -0.200 4.119 4.320 -0.000 0.000 0.210 174 K C 1.679 178.253 176.600 -0.042 0.000 1.049 174 K CA 2.115 58.409 56.287 0.010 0.000 0.927 174 K CB -0.563 31.957 32.500 0.032 0.000 0.713 174 K HN 0.535 nan 8.250 nan 0.000 0.443 175 Y N -0.013 120.266 120.300 -0.035 0.000 2.337 175 Y HA 0.014 4.563 4.550 -0.000 0.000 0.293 175 Y C 2.001 177.854 175.900 -0.079 0.000 1.123 175 Y CA 0.885 58.950 58.100 -0.058 0.000 1.201 175 Y CB -0.089 38.344 38.460 -0.044 0.000 1.011 175 Y HN 0.049 nan 8.280 nan 0.000 0.545 176 L N -0.974 120.312 121.223 0.104 0.000 2.027 176 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 176 L C 2.232 179.096 176.870 -0.009 0.000 1.074 176 L CA 0.985 55.851 54.840 0.045 0.000 0.745 176 L CB -0.358 41.740 42.059 0.065 0.000 0.898 176 L HN 0.240 nan 8.230 nan 0.000 0.433 177 L N 0.783 121.999 121.223 -0.011 0.000 1.970 177 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 177 L C 1.909 178.750 176.870 -0.049 0.000 1.071 177 L CA 2.058 56.883 54.840 -0.026 0.000 0.751 177 L CB -0.654 41.389 42.059 -0.026 0.000 0.889 177 L HN 0.461 nan 8.230 nan 0.000 0.432 178 E N -2.281 117.865 120.200 -0.091 0.000 2.545 178 E HA 0.059 4.409 4.350 -0.000 0.000 0.271 178 E C 0.224 176.713 176.600 -0.184 0.000 1.508 178 E CA 0.612 56.952 56.400 -0.099 0.000 1.774 178 E CB -0.256 29.362 29.700 -0.137 0.000 1.460 178 E HN 0.380 nan 8.360 nan 0.000 0.449 179 T N -1.446 112.986 114.554 -0.203 0.000 3.285 179 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 179 T C 1.285 175.912 174.700 -0.122 0.000 0.836 179 T CA 0.376 62.178 62.100 -0.496 0.000 0.849 179 T CB 0.238 68.702 68.868 -0.674 0.000 1.252 179 T HN 0.326 nan 8.240 nan 0.000 0.617 180 S N 0.202 115.879 115.700 -0.039 0.000 2.554 180 S HA 0.518 4.988 4.470 -0.000 0.000 0.227 180 S C 1.763 176.380 174.600 0.030 0.000 1.050 180 S CA 1.104 59.316 58.200 0.021 0.000 0.927 180 S CB 0.689 63.899 63.200 0.016 0.000 0.859 180 S HN 1.008 nan 8.310 nan 0.000 0.494 181 G N 2.151 110.961 108.800 0.016 0.000 2.179 181 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 181 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 181 G C -0.058 174.847 174.900 0.008 0.000 0.990 181 G CA 0.163 45.273 45.100 0.017 0.000 0.646 181 G HN 0.981 nan 8.290 nan 0.000 0.517 182 N N -1.229 117.474 118.700 0.006 0.000 3.575 182 N HA 0.432 5.172 4.740 -0.000 0.000 0.343 182 N C -0.133 175.380 175.510 0.006 0.000 1.574 182 N CA -0.401 52.651 53.050 0.004 0.000 0.832 182 N CB 0.414 38.905 38.487 0.007 0.000 2.151 182 N HN 0.291 nan 8.380 nan 0.000 0.552 183 L N -0.026 121.201 121.223 0.007 0.000 3.439 183 L HA 0.319 4.658 4.340 -0.000 0.000 0.313 183 L C -1.104 175.778 176.870 0.020 0.000 1.292 183 L CA -0.451 54.395 54.840 0.010 0.000 1.020 183 L CB 0.238 42.291 42.059 -0.009 0.000 1.424 183 L HN 0.291 nan 8.230 nan 0.000 0.612 184 D N 1.746 122.161 120.400 0.024 0.000 2.487 184 D HA 0.259 4.898 4.640 -0.000 0.000 0.243 184 D C 1.372 177.707 176.300 0.059 0.000 1.154 184 D CA 1.429 55.448 54.000 0.033 0.000 0.876 184 D CB 1.150 41.963 40.800 0.021 0.000 1.161 184 D HN 0.372 nan 8.370 nan 0.000 0.478 185 G N 2.034 110.889 108.800 0.092 0.000 2.148 185 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.254 185 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.254 185 G C 0.952 175.967 174.900 0.191 0.000 0.981 185 G CA 0.435 45.636 45.100 0.169 0.000 0.670 185 G HN 0.546 nan 8.290 nan 0.000 0.528 186 L N 0.655 121.942 121.223 0.106 0.000 1.956 186 L HA -0.134 4.206 4.340 -0.000 0.000 0.216 186 L C 2.883 179.802 176.870 0.081 0.000 1.073 186 L CA 2.890 57.776 54.840 0.076 0.000 0.762 186 L CB -0.423 41.620 42.059 -0.026 0.000 0.889 186 L HN 0.673 nan 8.230 nan 0.000 0.433 187 E N -1.411 118.751 120.200 -0.063 0.000 2.483 187 E HA -0.270 4.080 4.350 -0.000 0.000 0.205 187 E C 0.458 177.027 176.600 -0.053 0.000 1.075 187 E CA 1.304 57.572 56.400 -0.219 0.000 0.889 187 E CB -0.387 29.132 29.700 -0.303 0.000 0.816 187 E HN 0.644 nan 8.360 nan 0.000 0.567 188 Y N -0.727 119.719 120.300 0.243 0.000 2.716 188 Y HA 0.327 4.877 4.550 -0.000 0.000 0.260 188 Y C 1.167 177.218 175.900 0.251 0.000 1.141 188 Y CA -0.517 57.735 58.100 0.253 0.000 1.168 188 Y CB 0.794 39.344 38.460 0.151 0.000 1.189 188 Y HN -0.143 nan 8.280 nan 0.000 0.549 189 K N 0.428 121.094 120.400 0.443 0.000 2.284 189 K HA 0.249 4.568 4.320 -0.000 0.000 0.198 189 K C -0.027 176.675 176.600 0.169 0.000 1.048 189 K CA 0.507 56.989 56.287 0.324 0.000 0.987 189 K CB 0.550 33.273 32.500 0.372 0.000 0.800 189 K HN 0.167 nan 8.250 nan 0.000 0.486 190 L N 1.881 123.020 121.223 -0.140 0.000 2.295 190 L HA 0.230 4.570 4.340 -0.000 0.000 0.281 190 L C -0.995 175.734 176.870 -0.236 0.000 1.018 190 L CA -0.592 54.005 54.840 -0.405 0.000 0.841 190 L CB 0.908 42.322 42.059 -1.074 0.000 1.218 190 L HN 0.272 nan 8.230 nan 0.000 0.424 191 H N 3.045 121.942 119.070 -0.288 0.000 2.473 191 H HA 0.123 4.679 4.556 -0.000 0.000 0.327 191 H C -1.095 173.894 175.328 -0.565 0.000 1.105 191 H CA -0.464 55.426 56.048 -0.262 0.000 1.280 191 H CB 1.937 31.649 29.762 -0.084 0.000 1.450 191 H HN 0.541 nan 8.280 nan 0.000 0.492 192 D N 4.024 124.064 120.400 -0.599 0.000 2.352 192 D HA 0.011 4.651 4.640 -0.000 0.000 0.245 192 D C 0.062 176.438 176.300 0.127 0.000 1.224 192 D CA -0.108 53.615 54.000 -0.462 0.000 0.879 192 D CB 0.015 40.420 40.800 -0.658 0.000 1.057 192 D HN 0.284 nan 8.370 nan 0.000 0.491 193 F N 1.966 121.906 119.950 -0.016 0.000 2.622 193 F HA 0.272 4.799 4.527 -0.000 0.000 0.288 193 F C 2.547 178.379 175.800 0.053 0.000 1.120 193 F CA 0.017 58.050 58.000 0.055 0.000 1.423 193 F CB -0.854 38.174 39.000 0.047 0.000 1.127 193 F HN 0.552 nan 8.300 nan 0.000 0.588 194 G N -0.625 108.290 108.800 0.192 0.000 2.724 194 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.213 194 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.213 194 G C 1.528 176.533 174.900 0.174 0.000 1.137 194 G CA 0.399 45.579 45.100 0.134 0.000 0.745 194 G HN 0.432 nan 8.290 nan 0.000 0.567 195 Y N 1.424 121.754 120.300 0.050 0.000 2.128 195 Y HA -0.319 4.230 4.550 -0.000 0.000 0.284 195 Y C 3.052 178.966 175.900 0.022 0.000 1.154 195 Y CA 1.721 59.837 58.100 0.026 0.000 1.149 195 Y CB 0.105 38.580 38.460 0.025 0.000 0.976 195 Y HN 0.400 nan 8.280 nan 0.000 0.505 196 R N -0.220 120.397 120.500 0.195 0.000 2.148 196 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 196 R C 2.247 178.603 176.300 0.094 0.000 1.088 196 R CA 1.226 57.369 56.100 0.072 0.000 0.985 196 R CB -1.024 29.287 30.300 0.019 0.000 0.880 196 R HN 0.299 nan 8.270 nan 0.000 0.451 197 G N 2.047 110.917 108.800 0.117 0.000 2.422 197 G HA2 -0.079 3.880 3.960 -0.000 0.000 0.218 197 G HA3 -0.079 3.880 3.960 -0.000 0.000 0.218 197 G C 0.863 175.812 174.900 0.081 0.000 1.140 197 G CA 0.657 45.812 45.100 0.092 0.000 0.775 197 G HN 0.270 nan 8.290 nan 0.000 0.545 198 V N -0.358 119.613 119.914 0.096 0.000 3.237 198 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 198 V C 1.648 177.766 176.094 0.040 0.000 1.096 198 V CA 0.566 62.904 62.300 0.064 0.000 1.130 198 V CB 1.090 32.948 31.823 0.057 0.000 1.048 198 V HN 0.299 nan 8.190 nan 0.000 0.484 199 S N 0.595 116.295 115.700 -0.000 0.000 2.428 199 S HA 0.080 4.549 4.470 -0.000 0.000 0.230 199 S C 0.890 175.488 174.600 -0.003 0.000 1.014 199 S CA 0.472 58.667 58.200 -0.008 0.000 0.957 199 S CB -0.588 62.591 63.200 -0.035 0.000 0.784 199 S HN 1.780 nan 8.310 nan 0.000 0.499 200 S N -1.190 114.506 115.700 -0.006 0.000 2.688 200 S HA 0.486 4.956 4.470 -0.000 0.000 0.275 200 S C 0.156 174.779 174.600 0.040 0.000 1.175 200 S CA -0.875 57.332 58.200 0.011 0.000 0.818 200 S CB 1.062 64.255 63.200 -0.011 0.000 1.157 200 S HN -0.034 nan 8.310 nan 0.000 0.482 201 Q N 0.883 120.717 119.800 0.057 0.000 2.020 201 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 201 Q C 1.927 177.941 176.000 0.023 0.000 0.974 201 Q CA 1.791 57.649 55.803 0.092 0.000 0.829 201 Q CB -0.716 28.081 28.738 0.097 0.000 0.894 201 Q HN 0.923 nan 8.270 nan 0.000 0.433 202 E N -0.072 120.133 120.200 0.009 0.000 2.086 202 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 202 E C 1.743 178.290 176.600 -0.087 0.000 1.012 202 E CA 1.771 58.160 56.400 -0.018 0.000 0.812 202 E CB 0.185 29.896 29.700 0.019 0.000 0.743 202 E HN 0.273 nan 8.360 nan 0.000 0.453 203 T N 0.512 115.009 114.554 -0.095 0.000 2.746 203 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 203 T C 1.836 176.498 174.700 -0.064 0.000 1.039 203 T CA 1.377 63.396 62.100 -0.135 0.000 1.142 203 T CB -0.366 68.373 68.868 -0.216 0.000 0.866 203 T HN 0.377 nan 8.240 nan 0.000 0.444 204 A N 1.418 124.192 122.820 -0.076 0.000 1.917 204 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 204 A C 2.531 179.967 177.584 -0.246 0.000 1.182 204 A CA 2.177 54.113 52.037 -0.169 0.000 0.633 204 A CB -1.473 17.383 19.000 -0.240 0.000 0.819 204 A HN 0.528 nan 8.150 nan 0.000 0.448 205 G N -0.013 108.661 108.800 -0.211 0.000 2.524 205 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 205 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 205 G C 1.517 176.277 174.900 -0.233 0.000 1.239 205 G CA 1.120 46.089 45.100 -0.219 0.000 0.798 205 G HN 0.466 nan 8.290 nan 0.000 0.557 206 I N 1.503 121.902 120.570 -0.285 0.000 2.143 206 I HA -0.242 3.927 4.170 -0.000 0.000 0.245 206 I C 3.045 179.040 176.117 -0.203 0.000 1.068 206 I CA 1.436 62.532 61.300 -0.340 0.000 1.326 206 I CB -0.526 37.265 38.000 -0.348 0.000 1.028 206 I HN 0.289 nan 8.210 nan 0.000 0.412 207 G N -0.018 108.732 108.800 -0.083 0.000 2.402 207 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 207 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 207 G C 1.839 176.644 174.900 -0.159 0.000 1.162 207 G CA 0.748 45.739 45.100 -0.182 0.000 0.777 207 G HN 0.521 nan 8.290 nan 0.000 0.539 208 A N 1.317 124.041 122.820 -0.161 0.000 1.933 208 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 208 A C 2.720 180.240 177.584 -0.107 0.000 1.175 208 A CA 2.512 54.454 52.037 -0.159 0.000 0.628 208 A CB -0.639 18.226 19.000 -0.225 0.000 0.814 208 A HN 0.714 nan 8.150 nan 0.000 0.444 209 S N -0.229 115.390 115.700 -0.136 0.000 2.428 209 S HA 0.197 4.667 4.470 -0.000 0.000 0.230 209 S C 1.786 176.386 174.600 -0.001 0.000 1.014 209 S CA 0.897 59.022 58.200 -0.126 0.000 0.957 209 S CB -0.449 62.666 63.200 -0.142 0.000 0.784 209 S HN 0.880 nan 8.310 nan 0.000 0.499 210 A N 0.498 123.322 122.820 0.007 0.000 2.252 210 A HA 0.104 4.423 4.320 -0.000 0.000 0.207 210 A C 1.810 179.355 177.584 -0.065 0.000 1.194 210 A CA 0.736 52.747 52.037 -0.042 0.000 0.809 210 A CB -0.771 18.167 19.000 -0.104 0.000 0.814 210 A HN 0.766 nan 8.150 nan 0.000 0.482 211 H N -0.675 118.329 119.070 -0.109 0.000 2.426 211 H HA 0.220 4.776 4.556 -0.000 0.000 0.286 211 H C 1.295 176.628 175.328 0.008 0.000 0.990 211 H CA 0.352 56.363 56.048 -0.062 0.000 1.237 211 H CB 0.079 29.773 29.762 -0.114 0.000 1.466 211 H HN 0.366 nan 8.280 nan 0.000 0.525 212 L N 1.663 122.933 121.223 0.079 0.000 2.642 212 L HA -0.064 4.276 4.340 -0.000 0.000 0.236 212 L C 1.987 178.925 176.870 0.113 0.000 1.169 212 L CA 0.181 55.091 54.840 0.117 0.000 0.851 212 L CB -0.049 42.087 42.059 0.128 0.000 0.968 212 L HN 0.114 nan 8.230 nan 0.000 0.453 213 V N -0.251 119.607 119.914 -0.093 0.000 3.129 213 V HA -0.056 4.064 4.120 -0.000 0.000 0.259 213 V C 1.503 177.370 176.094 -0.378 0.000 1.116 213 V CA 1.115 63.148 62.300 -0.446 0.000 1.127 213 V CB -0.265 31.195 31.823 -0.606 0.000 0.742 213 V HN 0.583 nan 8.190 nan 0.000 0.474 214 N N -1.569 116.951 118.700 -0.300 0.000 2.266 214 N HA 0.224 4.964 4.740 -0.000 0.000 0.217 214 N C -0.288 174.815 175.510 -0.678 0.000 1.211 214 N CA 0.273 53.079 53.050 -0.407 0.000 0.881 214 N CB 1.307 39.642 38.487 -0.252 0.000 1.153 214 N HN 0.388 nan 8.380 nan 0.000 0.489 215 F N 0.236 119.912 119.950 -0.457 0.000 2.643 215 F HA 0.439 4.966 4.527 -0.000 0.000 0.314 215 F C 0.987 176.584 175.800 -0.337 0.000 1.096 215 F CA -0.861 56.891 58.000 -0.413 0.000 0.953 215 F CB 1.856 40.591 39.000 -0.442 0.000 1.345 215 F HN -0.407 nan 8.300 nan 0.000 0.468 216 K N 0.367 120.618 120.400 -0.248 0.000 2.358 216 K HA 0.253 4.573 4.320 -0.000 0.000 0.200 216 K C 0.477 177.047 176.600 -0.051 0.000 1.030 216 K CA 0.058 56.218 56.287 -0.211 0.000 1.097 216 K CB 1.060 33.328 32.500 -0.386 0.000 0.862 216 K HN 0.698 nan 8.250 nan 0.000 0.534 217 G N 1.497 110.282 108.800 -0.025 0.000 2.457 217 G HA2 0.200 4.159 3.960 -0.000 0.000 0.316 217 G HA3 0.200 4.159 3.960 -0.000 0.000 0.316 217 G C -0.824 173.774 174.900 -0.505 0.000 1.030 217 G CA 0.063 45.207 45.100 0.074 0.000 1.073 217 G HN -0.061 nan 8.290 nan 0.000 0.430 218 T N 0.882 115.175 114.554 -0.435 0.000 2.916 218 T HA 0.364 4.713 4.350 -0.000 0.000 0.298 218 T C -0.301 174.355 174.700 -0.074 0.000 1.031 218 T CA -0.514 61.337 62.100 -0.415 0.000 0.993 218 T CB 2.060 70.843 68.868 -0.143 0.000 1.045 218 T HN 0.245 nan 8.240 nan 0.000 0.454 219 D N 1.566 122.037 120.400 0.118 0.000 2.417 219 D HA 0.202 4.842 4.640 -0.000 0.000 0.207 219 D C 0.510 176.937 176.300 0.211 0.000 1.075 219 D CA 0.358 54.541 54.000 0.305 0.000 0.851 219 D CB 0.571 41.631 40.800 0.433 0.000 0.976 219 D HN 0.514 nan 8.370 nan 0.000 0.505 220 T N 1.524 116.123 114.554 0.076 0.000 3.781 220 T HA 0.055 4.405 4.350 -0.000 0.000 0.286 220 T C 1.994 176.589 174.700 -0.175 0.000 1.277 220 T CA -0.128 61.899 62.100 -0.121 0.000 1.136 220 T CB 0.398 69.044 68.868 -0.370 0.000 1.202 220 T HN 0.033 nan 8.240 nan 0.000 0.884 221 V N 1.397 121.331 119.914 0.033 0.000 2.363 221 V HA -0.290 3.830 4.120 -0.000 0.000 0.254 221 V C 2.674 178.722 176.094 -0.076 0.000 1.074 221 V CA 1.970 64.278 62.300 0.013 0.000 1.069 221 V CB -1.643 30.242 31.823 0.104 0.000 0.659 221 V HN 0.715 nan 8.190 nan 0.000 0.455 222 A N 1.689 124.411 122.820 -0.163 0.000 1.896 222 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 222 A C 2.534 180.015 177.584 -0.171 0.000 1.206 222 A CA 2.895 54.829 52.037 -0.172 0.000 0.647 222 A CB -1.800 17.013 19.000 -0.312 0.000 0.828 222 A HN 0.938 nan 8.150 nan 0.000 0.455 223 G N -0.576 108.083 108.800 -0.236 0.000 2.532 223 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.222 223 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.222 223 G C 1.443 176.223 174.900 -0.200 0.000 1.102 223 G CA 1.177 46.150 45.100 -0.211 0.000 0.742 223 G HN 0.544 nan 8.290 nan 0.000 0.577 224 I N 1.017 121.488 120.570 -0.166 0.000 2.110 224 I HA -0.133 4.036 4.170 -0.000 0.000 0.236 224 I C 3.310 179.360 176.117 -0.111 0.000 1.068 224 I CA 0.910 62.114 61.300 -0.161 0.000 1.333 224 I CB -0.516 37.409 38.000 -0.125 0.000 1.054 224 I HN 0.244 nan 8.210 nan 0.000 0.402 225 A N 1.141 123.926 122.820 -0.057 0.000 1.882 225 A HA -0.326 3.994 4.320 -0.000 0.000 0.220 225 A C 2.390 179.999 177.584 0.042 0.000 1.253 225 A CA 2.392 54.426 52.037 -0.006 0.000 0.664 225 A CB -1.382 17.628 19.000 0.017 0.000 0.838 225 A HN 0.506 nan 8.150 nan 0.000 0.460 226 L N -0.540 120.720 121.223 0.062 0.000 2.034 226 L HA -0.283 4.056 4.340 -0.000 0.000 0.217 226 L C 2.489 179.494 176.870 0.225 0.000 1.077 226 L CA 2.218 57.170 54.840 0.187 0.000 0.769 226 L CB -0.306 41.770 42.059 0.029 0.000 0.890 226 L HN 0.567 nan 8.230 nan 0.000 0.435 227 I N -0.372 120.195 120.570 -0.004 0.000 2.076 227 I HA -0.381 3.789 4.170 -0.000 0.000 0.237 227 I C 2.560 178.723 176.117 0.076 0.000 1.059 227 I CA 1.915 63.162 61.300 -0.088 0.000 1.317 227 I CB -0.430 37.235 38.000 -0.558 0.000 1.037 227 I HN 0.230 nan 8.210 nan 0.000 0.398 228 K N 0.655 121.057 120.400 0.005 0.000 2.074 228 K HA -0.276 4.043 4.320 -0.000 0.000 0.209 228 K C 2.154 178.778 176.600 0.040 0.000 1.048 228 K CA 1.727 58.032 56.287 0.029 0.000 0.926 228 K CB -0.246 32.252 32.500 -0.004 0.000 0.713 228 K HN 0.257 nan 8.250 nan 0.000 0.444 229 K N -0.183 120.248 120.400 0.050 0.000 2.062 229 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 229 K C 1.285 177.766 176.600 -0.198 0.000 1.051 229 K CA 1.354 57.608 56.287 -0.055 0.000 0.941 229 K CB 0.111 32.605 32.500 -0.011 0.000 0.719 229 K HN 0.148 nan 8.250 nan 0.000 0.440 230 Y N -2.191 118.156 120.300 0.078 0.000 2.444 230 Y HA 0.122 4.671 4.550 -0.000 0.000 0.252 230 Y C 0.801 176.618 175.900 -0.140 0.000 1.091 230 Y CA 0.048 58.144 58.100 -0.007 0.000 1.276 230 Y CB 0.708 39.217 38.460 0.081 0.000 1.170 230 Y HN 0.026 nan 8.280 nan 0.000 0.517 231 Y N -0.917 119.513 120.300 0.217 0.000 2.512 231 Y HA 0.449 4.998 4.550 -0.000 0.000 0.268 231 Y C 1.306 177.315 175.900 0.182 0.000 1.102 231 Y CA -0.103 58.142 58.100 0.242 0.000 1.261 231 Y CB 0.497 39.184 38.460 0.379 0.000 1.250 231 Y HN -0.099 nan 8.280 nan 0.000 0.506 232 G N 1.309 110.261 108.800 0.253 0.000 3.000 232 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 232 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 232 G C -0.490 174.533 174.900 0.205 0.000 1.114 232 G CA 0.094 45.291 45.100 0.163 0.000 0.902 232 G HN 0.108 nan 8.290 nan 0.000 0.564 233 T N 3.301 117.942 114.554 0.144 0.000 2.840 233 T HA 0.491 4.841 4.350 -0.000 0.000 0.287 233 T C 1.222 175.986 174.700 0.107 0.000 0.991 233 T CA -0.654 61.541 62.100 0.158 0.000 0.964 233 T CB 1.640 70.599 68.868 0.152 0.000 0.954 233 T HN 0.538 nan 8.240 nan 0.000 0.438 234 K N 1.311 121.774 120.400 0.105 0.000 2.228 234 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 234 K C 0.812 177.461 176.600 0.081 0.000 1.051 234 K CA 0.625 56.960 56.287 0.080 0.000 0.960 234 K CB 0.079 32.622 32.500 0.072 0.000 0.743 234 K HN 0.584 nan 8.250 nan 0.000 0.458 235 D N 1.366 121.825 120.400 0.098 0.000 2.335 235 D HA -0.037 4.602 4.640 -0.000 0.000 0.236 235 D C -2.054 174.314 176.300 0.113 0.000 1.297 235 D CA -0.663 53.403 54.000 0.110 0.000 0.906 235 D CB -0.039 40.840 40.800 0.132 0.000 1.164 235 D HN 0.048 nan 8.370 nan 0.000 0.469 236 P HA 0.083 nan 4.420 nan 0.000 0.237 236 P C -0.498 176.877 177.300 0.125 0.000 1.788 236 P CA -0.050 63.141 63.100 0.151 0.000 1.061 236 P CB 0.077 31.896 31.700 0.198 0.000 1.967 237 V N 2.965 122.897 119.914 0.029 0.000 3.501 237 V HA -0.187 3.933 4.120 -0.000 0.000 0.501 237 V C -0.965 175.050 176.094 -0.131 0.000 0.682 237 V CA -0.207 62.034 62.300 -0.100 0.000 2.051 237 V CB -0.778 30.909 31.823 -0.226 0.000 2.483 237 V HN 0.297 nan 8.190 nan 0.000 0.508 238 P HA -0.068 nan 4.420 nan 0.000 0.205 238 P C 0.661 177.929 177.300 -0.054 0.000 1.181 238 P CA 2.180 65.249 63.100 -0.052 0.000 0.933 238 P CB 0.254 31.858 31.700 -0.160 0.000 0.775 239 G N -2.592 106.111 108.800 -0.162 0.000 2.667 239 G HA2 0.581 4.540 3.960 -0.000 0.000 0.310 239 G HA3 0.581 4.540 3.960 -0.000 0.000 0.310 239 G C -1.343 173.410 174.900 -0.245 0.000 1.259 239 G CA -0.435 44.642 45.100 -0.040 0.000 1.019 239 G HN 0.104 nan 8.290 nan 0.000 0.496 240 Y N -1.353 119.052 120.300 0.174 0.000 2.944 240 Y HA 0.808 5.358 4.550 -0.001 0.000 0.312 240 Y C 0.408 176.466 175.900 0.263 0.000 1.417 240 Y CA -0.929 57.298 58.100 0.211 0.000 1.105 240 Y CB 1.982 40.596 38.460 0.257 0.000 1.364 240 Y HN 0.727 nan 8.280 nan 0.000 0.540 241 S N -0.035 115.917 115.700 0.420 0.000 2.608 241 S HA 0.571 5.040 4.470 -0.000 0.000 0.285 241 S C -1.971 172.723 174.600 0.156 0.000 1.108 241 S CA -0.660 57.738 58.200 0.331 0.000 0.858 241 S CB 0.489 63.860 63.200 0.284 0.000 1.077 241 S HN 1.023 nan 8.310 nan 0.000 0.450 242 V N 1.963 121.905 119.914 0.046 0.000 2.732 242 V HA 0.883 5.003 4.120 -0.000 0.000 0.310 242 V C -2.392 173.606 176.094 -0.160 0.000 1.053 242 V CA -2.079 60.187 62.300 -0.057 0.000 0.957 242 V CB 1.091 32.858 31.823 -0.094 0.000 1.018 242 V HN 0.791 nan 8.190 nan 0.000 0.452 243 P HA 0.514 nan 4.420 nan 0.000 0.269 243 P C -0.533 176.480 177.300 -0.478 0.000 1.209 243 P CA 0.161 62.955 63.100 -0.510 0.000 0.776 243 P CB 1.262 32.307 31.700 -1.091 0.000 0.876 244 A N 1.266 123.837 122.820 -0.415 0.000 2.589 244 A HA 0.657 4.977 4.320 -0.000 0.000 0.296 244 A C -0.730 176.721 177.584 -0.222 0.000 1.062 244 A CA -0.555 51.297 52.037 -0.308 0.000 0.686 244 A CB 1.253 20.081 19.000 -0.287 0.000 1.282 244 A HN 0.616 nan 8.150 nan 0.000 0.404 245 A N 0.756 123.484 122.820 -0.153 0.000 2.304 245 A HA 0.696 5.016 4.320 -0.000 0.000 0.271 245 A C 0.184 177.678 177.584 -0.149 0.000 1.091 245 A CA 0.382 52.376 52.037 -0.072 0.000 0.812 245 A CB 0.185 19.198 19.000 0.021 0.000 1.056 245 A HN 1.199 nan 8.150 nan 0.000 0.489 246 E N -0.432 119.695 120.200 -0.120 0.000 2.410 246 E HA 0.409 4.758 4.350 -0.000 0.000 0.269 246 E C -0.197 176.296 176.600 -0.179 0.000 0.937 246 E CA -0.838 55.434 56.400 -0.212 0.000 0.793 246 E CB 0.465 30.089 29.700 -0.126 0.000 1.314 246 E HN 0.611 nan 8.360 nan 0.000 0.447 247 H N 0.633 119.688 119.070 -0.025 0.000 2.394 247 H HA -0.176 4.380 4.556 -0.000 0.000 0.297 247 H C 2.124 177.457 175.328 0.009 0.000 1.113 247 H CA 2.283 58.314 56.048 -0.029 0.000 1.277 247 H CB -0.160 29.566 29.762 -0.059 0.000 1.370 247 H HN 0.672 nan 8.280 nan 0.000 0.506 248 S N 0.669 116.438 115.700 0.115 0.000 2.383 248 S HA -0.132 4.337 4.470 -0.000 0.000 0.227 248 S C 2.205 176.887 174.600 0.136 0.000 1.026 248 S CA 1.582 59.844 58.200 0.103 0.000 0.981 248 S CB -0.779 62.462 63.200 0.068 0.000 0.818 248 S HN 0.567 nan 8.310 nan 0.000 0.472 249 T N -0.973 113.662 114.554 0.135 0.000 3.163 249 T HA 0.320 4.670 4.350 -0.000 0.000 0.260 249 T C 1.362 176.248 174.700 0.310 0.000 1.156 249 T CA 0.549 62.783 62.100 0.222 0.000 1.072 249 T CB -0.522 68.460 68.868 0.190 0.000 0.937 249 T HN 0.573 nan 8.240 nan 0.000 0.528 250 I N 0.706 121.414 120.570 0.231 0.000 4.530 250 I HA 0.050 4.220 4.170 -0.000 0.000 0.318 250 I C 2.437 178.699 176.117 0.241 0.000 1.257 250 I CA 0.653 62.055 61.300 0.170 0.000 1.301 250 I CB 0.095 38.142 38.000 0.078 0.000 1.297 250 I HN 0.264 nan 8.210 nan 0.000 0.451 251 T N -0.376 114.305 114.554 0.212 0.000 3.085 251 T HA 0.112 4.462 4.350 -0.000 0.000 0.263 251 T C 1.777 176.635 174.700 0.264 0.000 1.127 251 T CA 0.828 63.075 62.100 0.245 0.000 1.103 251 T CB -0.053 68.902 68.868 0.146 0.000 0.921 251 T HN 0.242 nan 8.240 nan 0.000 0.510 252 A N 0.377 123.363 122.820 0.277 0.000 2.119 252 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 252 A C 1.619 179.283 177.584 0.133 0.000 1.153 252 A CA 0.341 52.479 52.037 0.168 0.000 0.692 252 A CB -0.946 18.108 19.000 0.090 0.000 0.799 252 A HN 0.717 nan 8.150 nan 0.000 0.458 253 W N -0.504 120.823 121.300 0.046 0.000 3.139 253 W HA 0.421 5.081 4.660 -0.001 0.000 0.260 253 W C 1.181 177.778 176.519 0.129 0.000 1.312 253 W CA 0.673 58.045 57.345 0.044 0.000 1.606 253 W CB -0.371 29.110 29.460 0.034 0.000 1.118 253 W HN 0.581 nan 8.180 nan 0.000 0.675 254 G N 0.698 109.683 108.800 0.307 0.000 2.785 254 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.686 254 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.686 254 G C 0.589 175.537 174.900 0.080 0.000 1.155 254 G CA -0.192 45.016 45.100 0.181 0.000 0.760 254 G HN 0.136 nan 8.290 nan 0.000 0.624 255 K N 0.102 120.445 120.400 -0.095 0.000 2.127 255 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 255 K C 1.664 178.006 176.600 -0.430 0.000 1.047 255 K CA 2.324 58.280 56.287 -0.552 0.000 0.927 255 K CB -0.107 31.929 32.500 -0.773 0.000 0.716 255 K HN 0.537 nan 8.250 nan 0.000 0.450 256 D N -0.435 119.774 120.400 -0.318 0.000 2.269 256 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 256 D C 0.947 177.008 176.300 -0.398 0.000 0.963 256 D CA 0.894 54.669 54.000 -0.375 0.000 0.864 256 D CB -0.010 40.529 40.800 -0.436 0.000 0.936 256 D HN 0.390 nan 8.370 nan 0.000 0.505 257 H N 0.347 119.384 119.070 -0.056 0.000 2.507 257 H HA 0.132 4.687 4.556 -0.001 0.000 0.294 257 H C 1.470 176.704 175.328 -0.156 0.000 1.064 257 H CA -0.078 55.956 56.048 -0.022 0.000 1.138 257 H CB 0.428 30.290 29.762 0.166 0.000 1.515 257 H HN 0.326 nan 8.280 nan 0.000 0.547 258 E N 1.837 121.931 120.200 -0.178 0.000 2.097 258 E HA -0.221 4.128 4.350 -0.000 0.000 0.196 258 E C 2.197 178.376 176.600 -0.701 0.000 1.000 258 E CA 1.279 57.424 56.400 -0.424 0.000 0.804 258 E CB 0.262 29.711 29.700 -0.418 0.000 0.740 258 E HN 0.339 nan 8.360 nan 0.000 0.454 259 K N 0.400 120.509 120.400 -0.484 0.000 2.032 259 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 259 K C 1.634 178.040 176.600 -0.323 0.000 1.048 259 K CA 1.967 58.019 56.287 -0.392 0.000 0.927 259 K CB -0.097 32.281 32.500 -0.203 0.000 0.712 259 K HN 0.136 nan 8.250 nan 0.000 0.441 260 D N 0.368 120.612 120.400 -0.261 0.000 2.149 260 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 260 D C 1.765 177.541 176.300 -0.873 0.000 0.990 260 D CA 1.483 55.299 54.000 -0.306 0.000 0.839 260 D CB -0.041 40.758 40.800 -0.001 0.000 0.948 260 D HN 0.448 nan 8.370 nan 0.000 0.460 261 A N 0.580 122.679 122.820 -1.202 0.000 1.898 261 A HA -0.076 4.243 4.320 -0.000 0.000 0.214 261 A C 1.967 179.298 177.584 -0.421 0.000 1.183 261 A CA 0.444 51.589 52.037 -1.488 0.000 0.622 261 A CB -0.605 17.527 19.000 -1.446 0.000 0.824 261 A HN 0.021 nan 8.150 nan 0.000 0.444 262 F N 0.457 120.149 119.950 -0.429 0.000 2.095 262 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 262 F C 2.338 178.072 175.800 -0.109 0.000 1.104 262 F CA 1.467 59.305 58.000 -0.270 0.000 1.232 262 F CB -0.966 37.576 39.000 -0.764 0.000 0.987 262 F HN 0.459 nan 8.300 nan 0.000 0.475 263 E N -1.337 118.875 120.200 0.020 0.000 2.338 263 E HA -0.237 4.112 4.350 -0.000 0.000 0.197 263 E C 1.866 178.492 176.600 0.042 0.000 1.007 263 E CA 0.756 57.171 56.400 0.025 0.000 0.849 263 E CB -0.134 29.557 29.700 -0.016 0.000 0.774 263 E HN 0.512 nan 8.360 nan 0.000 0.506 264 H N -0.530 118.480 119.070 -0.099 0.000 2.497 264 H HA 0.149 4.705 4.556 -0.000 0.000 0.282 264 H C 1.663 177.039 175.328 0.080 0.000 1.003 264 H CA 0.936 56.979 56.048 -0.008 0.000 1.307 264 H CB 0.250 30.009 29.762 -0.005 0.000 1.437 264 H HN 0.137 nan 8.280 nan 0.000 0.544 265 I N 0.305 120.954 120.570 0.131 0.000 2.716 265 I HA -0.103 4.066 4.170 -0.000 0.000 0.259 265 I C 1.911 178.170 176.117 0.236 0.000 1.172 265 I CA 0.748 62.186 61.300 0.230 0.000 1.478 265 I CB 0.217 38.389 38.000 0.286 0.000 1.104 265 I HN 0.243 nan 8.210 nan 0.000 0.439 266 V N -3.395 116.613 119.914 0.155 0.000 2.951 266 V HA -0.030 4.089 4.120 -0.000 0.000 0.255 266 V C 2.045 178.166 176.094 0.045 0.000 1.088 266 V CA 1.383 63.753 62.300 0.116 0.000 1.109 266 V CB -0.839 31.060 31.823 0.127 0.000 0.724 266 V HN 0.245 nan 8.190 nan 0.000 0.471 267 T N -0.414 114.129 114.554 -0.018 0.000 2.976 267 T HA -0.033 4.317 4.350 -0.000 0.000 0.257 267 T C 2.007 176.602 174.700 -0.175 0.000 1.051 267 T CA 1.173 63.226 62.100 -0.078 0.000 1.141 267 T CB -0.164 68.657 68.868 -0.078 0.000 0.881 267 T HN 0.402 nan 8.240 nan 0.000 0.461 268 Q N 0.355 119.963 119.800 -0.320 0.000 2.124 268 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 268 Q C 0.787 176.380 176.000 -0.678 0.000 0.977 268 Q CA 1.198 56.653 55.803 -0.581 0.000 0.850 268 Q CB -0.187 28.056 28.738 -0.825 0.000 0.901 268 Q HN 0.576 nan 8.270 nan 0.000 0.429 269 F N 0.204 120.115 119.950 -0.065 0.000 2.772 269 F HA 0.136 4.663 4.527 -0.000 0.000 0.302 269 F C 1.723 177.496 175.800 -0.045 0.000 1.136 269 F CA -0.168 57.805 58.000 -0.045 0.000 1.322 269 F CB 0.105 39.081 39.000 -0.040 0.000 0.967 269 F HN -0.057 nan 8.300 nan 0.000 0.513 270 S N -1.406 114.317 115.700 0.039 0.000 2.440 270 S HA -0.210 4.259 4.470 -0.000 0.000 0.238 270 S C 2.029 176.648 174.600 0.030 0.000 1.010 270 S CA 1.383 59.596 58.200 0.021 0.000 0.972 270 S CB -0.615 62.578 63.200 -0.012 0.000 0.774 270 S HN 0.340 nan 8.310 nan 0.000 0.501 271 S N 1.992 117.715 115.700 0.038 0.000 2.482 271 S HA -0.047 4.423 4.470 -0.000 0.000 0.226 271 S C 1.389 176.020 174.600 0.052 0.000 1.048 271 S CA 1.329 59.554 58.200 0.042 0.000 1.158 271 S CB -1.145 62.086 63.200 0.053 0.000 1.130 271 S HN 0.826 nan 8.310 nan 0.000 0.413 272 V N -0.330 119.636 119.914 0.086 0.000 3.438 272 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 272 V C -2.762 173.344 176.094 0.019 0.000 1.148 272 V CA -2.665 59.663 62.300 0.046 0.000 0.994 272 V CB 0.153 32.007 31.823 0.051 0.000 1.236 272 V HN 0.182 nan 8.190 nan 0.000 0.455 273 P HA 0.240 nan 4.420 nan 0.000 0.271 273 P C -0.796 176.440 177.300 -0.106 0.000 1.220 273 P CA 0.338 63.396 63.100 -0.071 0.000 0.768 273 P CB 1.482 33.127 31.700 -0.093 0.000 0.848 274 V N 2.771 122.609 119.914 -0.127 0.000 2.680 274 V HA 0.459 4.578 4.120 -0.000 0.000 0.309 274 V C -0.285 175.675 176.094 -0.223 0.000 1.052 274 V CA -0.552 61.635 62.300 -0.187 0.000 0.908 274 V CB 2.088 33.852 31.823 -0.099 0.000 1.001 274 V HN 0.666 nan 8.190 nan 0.000 0.431 275 S N 4.498 120.049 115.700 -0.248 0.000 2.509 275 S HA 0.820 5.290 4.470 -0.000 0.000 0.297 275 S C -1.132 173.335 174.600 -0.221 0.000 1.118 275 S CA -0.473 57.578 58.200 -0.248 0.000 1.074 275 S CB 1.468 64.525 63.200 -0.238 0.000 1.038 275 S HN 0.771 nan 8.310 nan 0.000 0.498 276 V N 5.206 124.983 119.914 -0.227 0.000 2.532 276 V HA 0.264 4.384 4.120 -0.000 0.000 0.294 276 V C -0.368 175.670 176.094 -0.093 0.000 1.036 276 V CA -1.009 61.215 62.300 -0.127 0.000 0.876 276 V CB 1.581 33.365 31.823 -0.064 0.000 1.012 276 V HN 0.878 nan 8.190 nan 0.000 0.432 277 V N 2.425 122.286 119.914 -0.088 0.000 2.506 277 V HA 0.107 4.226 4.120 -0.000 0.000 0.296 277 V C 0.958 177.117 176.094 0.110 0.000 1.004 277 V CA 0.608 62.849 62.300 -0.099 0.000 1.150 277 V CB 0.227 31.835 31.823 -0.357 0.000 0.911 277 V HN 0.865 nan 8.190 nan 0.000 0.476 278 S N 2.281 118.054 115.700 0.121 0.000 2.601 278 S HA 0.118 4.588 4.470 -0.000 0.000 0.244 278 S C 0.871 175.587 174.600 0.193 0.000 1.001 278 S CA 0.234 58.618 58.200 0.308 0.000 0.984 278 S CB -0.179 63.205 63.200 0.308 0.000 0.842 278 S HN 1.049 nan 8.310 nan 0.000 0.474 279 D N 0.231 120.699 120.400 0.113 0.000 2.479 279 D HA 0.147 4.786 4.640 -0.000 0.000 0.218 279 D C 0.951 177.246 176.300 -0.008 0.000 1.177 279 D CA -0.029 53.997 54.000 0.043 0.000 0.830 279 D CB -0.246 40.566 40.800 0.021 0.000 1.014 279 D HN 0.055 nan 8.370 nan 0.000 0.503 280 S N -0.239 115.428 115.700 -0.055 0.000 2.372 280 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 280 S C 0.041 174.206 174.600 -0.725 0.000 1.044 280 S CA 1.149 59.091 58.200 -0.430 0.000 1.050 280 S CB -0.471 62.345 63.200 -0.641 0.000 0.901 280 S HN 0.509 nan 8.310 nan 0.000 0.447 281 Y N -0.031 120.287 120.300 0.030 0.000 2.534 281 Y HA 0.379 4.928 4.550 -0.000 0.000 0.345 281 Y C -0.267 175.641 175.900 0.012 0.000 1.031 281 Y CA -1.737 56.366 58.100 0.005 0.000 1.022 281 Y CB 0.617 39.065 38.460 -0.021 0.000 1.292 281 Y HN -0.129 nan 8.280 nan 0.000 0.459 282 D N 2.287 122.787 120.400 0.167 0.000 6.046 282 D HA -0.215 4.425 4.640 -0.000 0.000 0.178 282 D C 1.033 177.365 176.300 0.053 0.000 1.205 282 D CA 0.505 54.579 54.000 0.123 0.000 0.863 282 D CB 0.238 41.129 40.800 0.152 0.000 1.299 282 D HN 0.768 nan 8.370 nan 0.000 0.724 283 I N 4.273 124.780 120.570 -0.106 0.000 2.315 283 I HA -0.301 3.869 4.170 -0.000 0.000 0.251 283 I C 1.329 177.296 176.117 -0.250 0.000 1.125 283 I CA 1.664 62.826 61.300 -0.231 0.000 1.392 283 I CB -0.307 37.409 38.000 -0.473 0.000 1.065 283 I HN 0.437 nan 8.210 nan 0.000 0.424 284 Y N -0.164 120.200 120.300 0.105 0.000 2.583 284 Y HA -0.030 4.520 4.550 -0.001 0.000 0.293 284 Y C 2.373 178.339 175.900 0.110 0.000 1.157 284 Y CA 0.893 59.052 58.100 0.100 0.000 1.315 284 Y CB -0.818 37.687 38.460 0.075 0.000 1.021 284 Y HN 0.368 nan 8.280 nan 0.000 0.536 285 N N 0.740 119.556 118.700 0.193 0.000 2.278 285 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 285 N C 2.076 177.670 175.510 0.139 0.000 1.023 285 N CA 0.984 54.123 53.050 0.149 0.000 0.862 285 N CB -0.066 38.485 38.487 0.106 0.000 1.003 285 N HN 0.283 nan 8.380 nan 0.000 0.431 286 A N 1.040 123.949 122.820 0.149 0.000 1.917 286 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 286 A C 2.754 180.484 177.584 0.244 0.000 1.182 286 A CA 1.547 53.699 52.037 0.191 0.000 0.633 286 A CB -1.163 18.058 19.000 0.368 0.000 0.819 286 A HN 0.579 nan 8.150 nan 0.000 0.448 287 C N -1.557 117.929 119.300 0.311 0.000 2.476 287 C HA -0.005 4.455 4.460 -0.000 0.000 0.278 287 C C 2.698 177.881 174.990 0.322 0.000 1.274 287 C CA 1.223 60.466 59.018 0.375 0.000 1.713 287 C CB -0.858 27.016 27.740 0.224 0.000 2.039 287 C HN 0.772 nan 8.230 nan 0.000 0.484 288 E N -0.026 120.323 120.200 0.249 0.000 2.230 288 E HA -0.124 4.225 4.350 -0.000 0.000 0.192 288 E C 2.036 178.745 176.600 0.183 0.000 0.987 288 E CA 0.819 57.351 56.400 0.220 0.000 0.841 288 E CB 0.118 29.930 29.700 0.186 0.000 0.783 288 E HN 0.533 nan 8.360 nan 0.000 0.481 289 K N -0.206 120.284 120.400 0.150 0.000 2.266 289 K HA 0.084 4.403 4.320 -0.000 0.000 0.209 289 K C 2.004 178.653 176.600 0.082 0.000 1.065 289 K CA 0.220 56.566 56.287 0.099 0.000 0.946 289 K CB 0.215 32.750 32.500 0.060 0.000 1.069 289 K HN -0.025 nan 8.250 nan 0.000 0.472 290 I N 0.036 120.624 120.570 0.030 0.000 2.179 290 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 290 I C 1.828 177.930 176.117 -0.025 0.000 1.088 290 I CA 1.610 62.867 61.300 -0.072 0.000 1.357 290 I CB -1.227 36.657 38.000 -0.192 0.000 1.051 290 I HN 0.368 nan 8.210 nan 0.000 0.409 291 W N 0.793 122.209 121.300 0.193 0.000 2.539 291 W HA 0.148 4.808 4.660 -0.000 0.000 0.281 291 W C 2.448 179.157 176.519 0.317 0.000 1.220 291 W CA 0.518 57.960 57.345 0.163 0.000 1.332 291 W CB -0.581 28.898 29.460 0.032 0.000 1.095 291 W HN 0.091 nan 8.180 nan 0.000 0.571 292 G N -0.068 109.058 108.800 0.543 0.000 3.088 292 G HA2 0.063 4.023 3.960 -0.000 0.000 0.212 292 G HA3 0.063 4.023 3.960 -0.000 0.000 0.212 292 G C 0.820 175.830 174.900 0.183 0.000 1.173 292 G CA 0.466 45.849 45.100 0.472 0.000 0.779 292 G HN 0.277 nan 8.290 nan 0.000 0.540 293 E N -0.487 119.814 120.200 0.169 0.000 3.566 293 E HA -0.017 4.333 4.350 -0.000 0.000 0.241 293 E C 0.806 177.473 176.600 0.112 0.000 1.208 293 E CA -0.083 56.375 56.400 0.098 0.000 1.773 293 E CB 0.053 29.801 29.700 0.080 0.000 1.818 293 E HN 0.078 nan 8.360 nan 0.000 0.865 294 D N 1.979 122.446 120.400 0.112 0.000 2.077 294 D HA -0.075 4.564 4.640 -0.000 0.000 0.197 294 D C 1.409 177.835 176.300 0.210 0.000 0.983 294 D CA 0.988 55.059 54.000 0.119 0.000 0.841 294 D CB 0.089 40.923 40.800 0.056 0.000 0.992 294 D HN 0.038 nan 8.370 nan 0.000 0.450 295 L N 1.585 122.893 121.223 0.142 0.000 2.715 295 L HA 0.151 4.491 4.340 -0.000 0.000 0.238 295 L C 1.940 178.875 176.870 0.108 0.000 1.212 295 L CA 0.201 55.066 54.840 0.042 0.000 1.017 295 L CB -0.641 41.450 42.059 0.052 0.000 1.269 295 L HN -0.023 nan 8.230 nan 0.000 0.452 296 R N 0.569 121.196 120.500 0.212 0.000 2.091 296 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 296 R C 2.090 178.452 176.300 0.104 0.000 1.136 296 R CA 1.484 57.676 56.100 0.152 0.000 0.959 296 R CB -0.255 30.065 30.300 0.034 0.000 0.856 296 R HN 0.636 nan 8.270 nan 0.000 0.437 297 H N -0.572 118.511 119.070 0.022 0.000 2.521 297 H HA -0.036 4.519 4.556 -0.000 0.000 0.286 297 H C 1.801 177.127 175.328 -0.004 0.000 1.034 297 H CA 0.777 56.821 56.048 -0.007 0.000 1.278 297 H CB -0.481 29.280 29.762 -0.002 0.000 1.386 297 H HN 0.197 nan 8.280 nan 0.000 0.567 298 L N 0.142 121.192 121.223 -0.288 0.000 2.529 298 L HA 0.027 4.367 4.340 -0.000 0.000 0.223 298 L C 1.823 178.636 176.870 -0.096 0.000 1.113 298 L CA -0.165 54.568 54.840 -0.178 0.000 0.861 298 L CB 0.107 42.056 42.059 -0.183 0.000 1.012 298 L HN 0.127 nan 8.230 nan 0.000 0.461 299 I N -0.907 119.619 120.570 -0.073 0.000 2.594 299 I HA -0.070 4.100 4.170 -0.000 0.000 0.237 299 I C 2.448 178.248 176.117 -0.528 0.000 1.071 299 I CA 0.895 62.116 61.300 -0.130 0.000 1.427 299 I CB -1.048 37.034 38.000 0.137 0.000 1.218 299 I HN -0.096 nan 8.210 nan 0.000 0.444 300 V N 2.034 121.550 119.914 -0.663 0.000 2.546 300 V HA -0.230 3.890 4.120 -0.000 0.000 0.254 300 V C 2.530 178.267 176.094 -0.596 0.000 1.076 300 V CA 2.033 63.625 62.300 -1.180 0.000 1.087 300 V CB -1.335 30.249 31.823 -0.398 0.000 0.674 300 V HN 0.582 nan 8.190 nan 0.000 0.470 301 S N -0.995 114.528 115.700 -0.295 0.000 2.562 301 S HA 0.064 4.533 4.470 -0.000 0.000 0.221 301 S C 1.043 175.589 174.600 -0.090 0.000 0.975 301 S CA -0.125 58.001 58.200 -0.123 0.000 0.918 301 S CB -0.130 63.038 63.200 -0.054 0.000 0.772 301 S HN 0.592 nan 8.310 nan 0.000 0.531 302 R N 1.308 121.724 120.500 -0.140 0.000 2.822 302 R HA 0.391 4.731 4.340 -0.000 0.000 0.277 302 R C 0.246 176.577 176.300 0.052 0.000 1.102 302 R CA -0.002 56.076 56.100 -0.035 0.000 1.207 302 R CB 0.239 30.521 30.300 -0.029 0.000 1.139 302 R HN 0.270 nan 8.270 nan 0.000 0.557 303 S N -0.837 114.893 115.700 0.051 0.000 2.617 303 S HA 0.061 4.531 4.470 -0.000 0.000 0.283 303 S C 1.376 176.012 174.600 0.061 0.000 1.189 303 S CA -0.482 57.752 58.200 0.057 0.000 1.036 303 S CB 1.426 64.641 63.200 0.026 0.000 1.014 303 S HN 0.692 nan 8.310 nan 0.000 0.522 304 T N 0.400 114.983 114.554 0.050 0.000 2.915 304 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 304 T C 1.169 175.862 174.700 -0.013 0.000 1.071 304 T CA 1.202 63.313 62.100 0.018 0.000 1.132 304 T CB -0.328 68.541 68.868 0.003 0.000 0.878 304 T HN 0.723 nan 8.240 nan 0.000 0.479 305 E N 1.024 121.217 120.200 -0.012 0.000 2.502 305 E HA 0.330 4.679 4.350 -0.000 0.000 0.194 305 E C 0.314 176.892 176.600 -0.038 0.000 1.062 305 E CA 0.128 56.509 56.400 -0.033 0.000 0.867 305 E CB 0.021 29.706 29.700 -0.025 0.000 0.888 305 E HN 0.657 nan 8.360 nan 0.000 0.510 306 A N 1.918 124.722 122.820 -0.026 0.000 3.330 306 A HA 0.243 4.563 4.320 -0.000 0.000 0.256 306 A C -2.771 174.794 177.584 -0.032 0.000 1.185 306 A CA -0.928 51.090 52.037 -0.032 0.000 0.940 306 A CB 0.396 19.390 19.000 -0.011 0.000 1.397 306 A HN 0.005 nan 8.150 nan 0.000 0.678 307 P HA 0.344 nan 4.420 nan 0.000 0.274 307 P C -0.224 177.000 177.300 -0.127 0.000 1.256 307 P CA -0.326 62.741 63.100 -0.055 0.000 0.795 307 P CB 1.122 32.780 31.700 -0.071 0.000 1.038 308 L N 1.912 123.023 121.223 -0.185 0.000 2.282 308 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 308 L C -0.096 176.535 176.870 -0.399 0.000 1.075 308 L CA -0.199 54.445 54.840 -0.327 0.000 0.839 308 L CB -0.929 40.845 42.059 -0.475 0.000 1.219 308 L HN 0.155 nan 8.230 nan 0.000 0.434 309 I N 6.723 127.089 120.570 -0.340 0.000 2.311 309 I HA 0.135 4.304 4.170 -0.000 0.000 0.297 309 I C 0.248 176.122 176.117 -0.405 0.000 1.131 309 I CA -0.091 61.012 61.300 -0.328 0.000 1.289 309 I CB -0.060 37.796 38.000 -0.240 0.000 1.446 309 I HN 0.533 nan 8.210 nan 0.000 0.524 310 I N 6.797 127.070 120.570 -0.496 0.000 2.668 310 I HA 0.051 4.220 4.170 -0.000 0.000 0.285 310 I C 0.774 176.696 176.117 -0.326 0.000 1.168 310 I CA 0.436 61.422 61.300 -0.523 0.000 1.424 310 I CB 0.156 37.815 38.000 -0.569 0.000 1.377 310 I HN 0.599 nan 8.210 nan 0.000 0.560 311 R N 9.500 129.851 120.500 -0.248 0.000 2.468 311 R HA 0.465 4.805 4.340 -0.000 0.000 0.302 311 R C -2.889 173.349 176.300 -0.103 0.000 1.041 311 R CA -1.477 54.524 56.100 -0.166 0.000 0.899 311 R CB 2.091 32.300 30.300 -0.152 0.000 1.167 311 R HN 0.294 nan 8.270 nan 0.000 0.483 312 P HA 0.282 nan 4.420 nan 0.000 0.283 312 P C -1.164 176.131 177.300 -0.008 0.000 1.278 312 P CA -0.202 62.865 63.100 -0.055 0.000 0.834 312 P CB 1.658 33.298 31.700 -0.100 0.000 1.150 313 D N -1.454 118.963 120.400 0.028 0.000 3.486 313 D HA 0.045 4.685 4.640 -0.000 0.000 0.294 313 D C 0.065 176.396 176.300 0.053 0.000 1.593 313 D CA -0.141 53.898 54.000 0.065 0.000 0.776 313 D CB -0.521 40.348 40.800 0.116 0.000 1.353 313 D HN 0.054 nan 8.370 nan 0.000 0.608 314 S N -0.341 115.370 115.700 0.019 0.000 2.294 314 S HA 0.546 5.015 4.470 -0.000 0.000 0.203 314 S C 1.001 175.618 174.600 0.028 0.000 1.022 314 S CA 1.049 59.255 58.200 0.010 0.000 0.955 314 S CB 0.191 63.381 63.200 -0.017 0.000 0.943 314 S HN 0.643 nan 8.310 nan 0.000 0.472 315 G N 0.362 109.189 108.800 0.046 0.000 2.761 315 G HA2 0.459 4.418 3.960 -0.000 0.000 0.296 315 G HA3 0.459 4.418 3.960 -0.000 0.000 0.296 315 G C -1.121 173.821 174.900 0.070 0.000 1.416 315 G CA -0.622 44.511 45.100 0.056 0.000 1.105 315 G HN 0.397 nan 8.290 nan 0.000 0.565 316 N N 1.812 120.547 118.700 0.058 0.000 2.469 316 N HA -0.121 4.619 4.740 -0.000 0.000 0.283 316 N C -0.701 174.847 175.510 0.063 0.000 1.326 316 N CA 0.596 53.681 53.050 0.058 0.000 0.646 316 N CB 0.373 38.898 38.487 0.062 0.000 0.894 316 N HN 0.353 nan 8.380 nan 0.000 0.533 317 P HA -0.272 nan 4.420 nan 0.000 0.216 317 P C 1.529 178.873 177.300 0.074 0.000 1.154 317 P CA 0.936 64.079 63.100 0.072 0.000 0.865 317 P CB 0.126 31.876 31.700 0.084 0.000 0.789 318 L N 0.967 122.229 121.223 0.065 0.000 1.961 318 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 318 L C 1.844 178.752 176.870 0.062 0.000 1.075 318 L CA 2.454 57.331 54.840 0.063 0.000 0.749 318 L CB -1.717 40.373 42.059 0.051 0.000 0.890 318 L HN -0.087 nan 8.230 nan 0.000 0.433 319 D N -0.458 119.981 120.400 0.066 0.000 2.190 319 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 319 D C 1.989 178.350 176.300 0.101 0.000 0.992 319 D CA 1.830 55.874 54.000 0.073 0.000 0.854 319 D CB -0.210 40.631 40.800 0.067 0.000 0.936 319 D HN 0.425 nan 8.370 nan 0.000 0.462 320 T N 0.396 115.019 114.554 0.116 0.000 2.812 320 T HA -0.047 4.303 4.350 -0.000 0.000 0.264 320 T C 2.340 177.079 174.700 0.065 0.000 1.042 320 T CA 0.464 62.659 62.100 0.158 0.000 1.140 320 T CB -0.292 68.635 68.868 0.099 0.000 0.870 320 T HN -0.011 nan 8.240 nan 0.000 0.445 321 V N 1.865 121.776 119.914 -0.005 0.000 2.295 321 V HA -0.139 3.980 4.120 -0.000 0.000 0.246 321 V C 2.533 178.525 176.094 -0.170 0.000 1.049 321 V CA 1.529 63.765 62.300 -0.106 0.000 1.024 321 V CB -0.750 31.017 31.823 -0.094 0.000 0.648 321 V HN 0.433 nan 8.190 nan 0.000 0.447 322 L N -0.393 120.779 121.223 -0.086 0.000 2.012 322 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 322 L C 2.596 179.446 176.870 -0.033 0.000 1.073 322 L CA 2.111 56.904 54.840 -0.077 0.000 0.748 322 L CB -0.664 41.435 42.059 0.067 0.000 0.891 322 L HN 0.301 nan 8.230 nan 0.000 0.431 323 K N -0.077 120.353 120.400 0.050 0.000 2.057 323 K HA -0.126 4.193 4.320 -0.000 0.000 0.206 323 K C 2.065 178.738 176.600 0.123 0.000 1.050 323 K CA 0.983 57.331 56.287 0.101 0.000 0.935 323 K CB 0.057 32.619 32.500 0.103 0.000 0.715 323 K HN 0.024 nan 8.250 nan 0.000 0.439 324 V N 1.835 121.802 119.914 0.089 0.000 2.255 324 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 324 V C 2.302 178.315 176.094 -0.135 0.000 1.051 324 V CA 1.796 64.094 62.300 -0.004 0.000 1.018 324 V CB -0.356 31.403 31.823 -0.106 0.000 0.641 324 V HN 0.336 nan 8.190 nan 0.000 0.445 325 L N -0.177 120.828 121.223 -0.364 0.000 2.017 325 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 325 L C 2.402 179.102 176.870 -0.283 0.000 1.073 325 L CA 2.125 56.528 54.840 -0.728 0.000 0.745 325 L CB -0.729 40.229 42.059 -1.835 0.000 0.894 325 L HN 0.431 nan 8.230 nan 0.000 0.432 326 D N 0.539 120.937 120.400 -0.003 0.000 2.106 326 D HA -0.225 4.415 4.640 -0.000 0.000 0.191 326 D C 2.157 178.588 176.300 0.220 0.000 0.997 326 D CA 1.578 55.754 54.000 0.294 0.000 0.834 326 D CB -0.041 40.898 40.800 0.231 0.000 0.956 326 D HN 0.233 nan 8.370 nan 0.000 0.448 327 I N 0.035 120.698 120.570 0.154 0.000 2.127 327 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 327 I C 2.452 178.687 176.117 0.196 0.000 1.075 327 I CA 0.872 62.276 61.300 0.174 0.000 1.334 327 I CB -0.299 37.817 38.000 0.193 0.000 1.040 327 I HN 0.170 nan 8.210 nan 0.000 0.405 328 L N 0.212 121.515 121.223 0.133 0.000 2.093 328 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 328 L C 2.652 179.677 176.870 0.257 0.000 1.085 328 L CA 1.466 56.388 54.840 0.136 0.000 0.755 328 L CB -1.210 40.792 42.059 -0.095 0.000 0.904 328 L HN 0.335 nan 8.230 nan 0.000 0.435 329 G N -0.033 108.948 108.800 0.301 0.000 2.470 329 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 329 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 329 G C 1.713 176.789 174.900 0.293 0.000 1.121 329 G CA 0.462 45.802 45.100 0.400 0.000 0.766 329 G HN 0.339 nan 8.290 nan 0.000 0.553 330 K N -0.414 120.145 120.400 0.265 0.000 2.262 330 K HA 0.106 4.426 4.320 -0.000 0.000 0.200 330 K C 1.803 178.523 176.600 0.198 0.000 1.049 330 K CA 0.389 56.798 56.287 0.202 0.000 0.979 330 K CB 0.191 32.794 32.500 0.172 0.000 0.773 330 K HN -0.032 nan 8.250 nan 0.000 0.474 331 K N -0.154 120.423 120.400 0.294 0.000 2.353 331 K HA 0.199 4.519 4.320 -0.000 0.000 0.195 331 K C -0.345 176.316 176.600 0.102 0.000 1.031 331 K CA 0.300 56.724 56.287 0.227 0.000 1.079 331 K CB 0.473 33.168 32.500 0.326 0.000 0.857 331 K HN -0.066 nan 8.250 nan 0.000 0.535 332 F N 1.138 121.165 119.950 0.129 0.000 2.588 332 F HA 0.313 4.840 4.527 -0.000 0.000 0.314 332 F C -2.143 173.725 175.800 0.113 0.000 1.069 332 F CA -2.885 55.199 58.000 0.140 0.000 0.931 332 F CB 1.648 40.745 39.000 0.162 0.000 1.260 332 F HN -0.224 nan 8.300 nan 0.000 0.465 333 P HA 0.112 nan 4.420 nan 0.000 0.267 333 P C -0.576 176.802 177.300 0.131 0.000 1.328 333 P CA 0.149 63.340 63.100 0.151 0.000 0.990 333 P CB 0.112 31.884 31.700 0.120 0.000 1.168 334 V N 2.043 122.034 119.914 0.129 0.000 2.834 334 V HA 0.591 4.711 4.120 -0.000 0.000 0.301 334 V C 0.626 176.747 176.094 0.044 0.000 1.066 334 V CA -0.540 61.824 62.300 0.105 0.000 1.052 334 V CB 0.880 32.776 31.823 0.122 0.000 1.021 334 V HN 0.643 nan 8.190 nan 0.000 0.480 335 S N 1.284 117.001 115.700 0.029 0.000 2.599 335 S HA 0.618 5.087 4.470 -0.000 0.000 0.294 335 S C -0.779 173.816 174.600 -0.008 0.000 1.094 335 S CA -0.780 57.423 58.200 0.006 0.000 0.931 335 S CB 2.073 65.278 63.200 0.007 0.000 1.093 335 S HN 0.959 nan 8.310 nan 0.000 0.488 336 E N 1.416 121.604 120.200 -0.020 0.000 2.133 336 E HA 0.250 4.600 4.350 -0.000 0.000 0.274 336 E C -0.017 176.583 176.600 0.000 0.000 0.930 336 E CA -0.587 55.796 56.400 -0.029 0.000 0.770 336 E CB 0.595 30.260 29.700 -0.059 0.000 1.104 336 E HN 0.809 nan 8.360 nan 0.000 0.403 337 N N 2.100 120.820 118.700 0.033 0.000 2.347 337 N HA 0.036 4.776 4.740 -0.000 0.000 0.253 337 N C 0.653 176.190 175.510 0.045 0.000 1.274 337 N CA -0.552 52.527 53.050 0.048 0.000 0.941 337 N CB 0.837 39.373 38.487 0.080 0.000 1.200 337 N HN 0.206 nan 8.380 nan 0.000 0.514 338 S N -0.111 115.615 115.700 0.044 0.000 2.428 338 S HA -0.155 4.315 4.470 -0.000 0.000 0.240 338 S C 1.164 175.793 174.600 0.048 0.000 1.036 338 S CA 1.200 59.422 58.200 0.036 0.000 1.009 338 S CB -0.201 63.019 63.200 0.035 0.000 0.803 338 S HN 0.551 nan 8.310 nan 0.000 0.486 339 K N -0.224 120.236 120.400 0.099 0.000 2.374 339 K HA 0.262 4.582 4.320 -0.000 0.000 0.196 339 K C 1.447 178.065 176.600 0.030 0.000 1.023 339 K CA 0.732 57.102 56.287 0.139 0.000 1.103 339 K CB 0.468 33.143 32.500 0.292 0.000 0.848 339 K HN 0.476 nan 8.250 nan 0.000 0.528 340 G N 1.070 109.856 108.800 -0.024 0.000 2.194 340 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 340 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 340 G C -0.314 174.413 174.900 -0.289 0.000 0.987 340 G CA -0.313 44.674 45.100 -0.188 0.000 0.635 340 G HN 0.230 nan 8.290 nan 0.000 0.520 341 Y N 1.746 122.028 120.300 -0.030 0.000 2.336 341 Y HA 0.559 5.109 4.550 -0.001 0.000 0.335 341 Y C 1.098 176.965 175.900 -0.055 0.000 1.046 341 Y CA -0.519 57.560 58.100 -0.036 0.000 1.198 341 Y CB 0.771 39.251 38.460 0.033 0.000 1.182 341 Y HN 0.067 nan 8.280 nan 0.000 0.502 342 K N 2.712 123.077 120.400 -0.057 0.000 2.469 342 K HA 0.255 4.575 4.320 -0.000 0.000 0.274 342 K C -1.046 175.622 176.600 0.114 0.000 0.983 342 K CA 0.028 56.243 56.287 -0.120 0.000 0.974 342 K CB 0.219 32.382 32.500 -0.562 0.000 0.913 342 K HN 0.448 nan 8.250 nan 0.000 0.493 343 L N 2.901 124.195 121.223 0.119 0.000 2.464 343 L HA 0.377 4.717 4.340 -0.000 0.000 0.266 343 L C -1.399 175.540 176.870 0.117 0.000 0.965 343 L CA -0.498 54.434 54.840 0.153 0.000 0.833 343 L CB 1.362 43.474 42.059 0.087 0.000 1.296 343 L HN 0.550 nan 8.230 nan 0.000 0.405 344 L N 5.441 126.727 121.223 0.104 0.000 2.464 344 L HA 0.417 4.756 4.340 -0.000 0.000 0.264 344 L C -1.805 175.001 176.870 -0.108 0.000 1.199 344 L CA -1.632 53.214 54.840 0.009 0.000 0.818 344 L CB 0.228 42.248 42.059 -0.065 0.000 1.102 344 L HN 0.536 nan 8.230 nan 0.000 0.473 345 P HA 0.064 nan 4.420 nan 0.000 0.271 345 P C -2.121 174.876 177.300 -0.505 0.000 1.216 345 P CA -1.440 61.410 63.100 -0.416 0.000 0.776 345 P CB 0.282 31.565 31.700 -0.694 0.000 0.881 346 P HA -0.197 nan 4.420 nan 0.000 0.220 346 P C 0.782 177.994 177.300 -0.147 0.000 1.144 346 P CA 1.836 64.822 63.100 -0.191 0.000 0.808 346 P CB -0.599 31.042 31.700 -0.099 0.000 0.763 347 Y N -2.113 118.166 120.300 -0.036 0.000 2.532 347 Y HA 0.639 5.189 4.550 -0.000 0.000 0.283 347 Y C 0.219 176.034 175.900 -0.141 0.000 1.181 347 Y CA -1.870 56.191 58.100 -0.065 0.000 1.256 347 Y CB -0.568 37.881 38.460 -0.018 0.000 1.112 347 Y HN -0.211 nan 8.280 nan 0.000 0.521 348 L N 1.920 123.086 121.223 -0.096 0.000 2.516 348 L HA 0.656 4.996 4.340 -0.000 0.000 0.267 348 L C -1.422 175.308 176.870 -0.232 0.000 0.957 348 L CA -1.068 53.656 54.840 -0.195 0.000 0.860 348 L CB 1.461 43.346 42.059 -0.290 0.000 1.265 348 L HN 0.107 nan 8.230 nan 0.000 0.403 349 R N 2.962 123.310 120.500 -0.254 0.000 2.817 349 R HA 0.858 5.198 4.340 -0.000 0.000 0.268 349 R C -1.646 174.484 176.300 -0.283 0.000 1.027 349 R CA -0.848 55.112 56.100 -0.233 0.000 0.928 349 R CB 2.348 32.539 30.300 -0.182 0.000 1.228 349 R HN 0.366 nan 8.270 nan 0.000 0.469 350 V N 2.042 121.789 119.914 -0.277 0.000 2.925 350 V HA 0.590 4.710 4.120 -0.000 0.000 0.311 350 V C -0.399 175.508 176.094 -0.313 0.000 1.104 350 V CA -0.851 61.267 62.300 -0.303 0.000 0.954 350 V CB 2.576 34.206 31.823 -0.321 0.000 1.022 350 V HN 0.625 nan 8.190 nan 0.000 0.427 351 I N 1.046 121.452 120.570 -0.273 0.000 2.509 351 I HA 0.672 4.842 4.170 -0.000 0.000 0.293 351 I C -0.725 175.262 176.117 -0.218 0.000 1.020 351 I CA -1.012 60.135 61.300 -0.255 0.000 1.088 351 I CB 1.860 39.796 38.000 -0.107 0.000 1.267 351 I HN 0.447 nan 8.210 nan 0.000 0.430 352 Q N 3.856 123.487 119.800 -0.282 0.000 2.377 352 Q HA 0.409 4.749 4.340 -0.000 0.000 0.249 352 Q C 0.667 176.703 176.000 0.061 0.000 1.005 352 Q CA 0.196 55.940 55.803 -0.097 0.000 0.912 352 Q CB 1.432 30.172 28.738 0.004 0.000 1.223 352 Q HN 0.894 nan 8.270 nan 0.000 0.459 353 G N 3.925 112.797 108.800 0.120 0.000 2.404 353 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.213 353 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.213 353 G C 0.234 175.269 174.900 0.225 0.000 1.189 353 G CA 0.176 45.450 45.100 0.290 0.000 0.796 353 G HN 0.551 nan 8.290 nan 0.000 0.532 354 D N -1.241 119.243 120.400 0.140 0.000 2.442 354 D HA 0.424 5.064 4.640 -0.000 0.000 0.254 354 D C 1.197 177.547 176.300 0.083 0.000 1.069 354 D CA 0.266 54.332 54.000 0.111 0.000 1.017 354 D CB 1.461 42.316 40.800 0.091 0.000 1.172 354 D HN 0.253 nan 8.370 nan 0.000 0.561 355 G N -0.382 108.456 108.800 0.063 0.000 2.180 355 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.263 355 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.263 355 G C 0.202 175.121 174.900 0.032 0.000 0.989 355 G CA 0.404 45.532 45.100 0.046 0.000 0.692 355 G HN 0.345 nan 8.290 nan 0.000 0.526 356 V N 1.670 121.602 119.914 0.029 0.000 2.370 356 V HA 0.630 4.749 4.120 -0.000 0.000 0.279 356 V C -0.018 176.049 176.094 -0.046 0.000 1.029 356 V CA 0.111 62.404 62.300 -0.011 0.000 0.870 356 V CB 1.574 33.405 31.823 0.013 0.000 0.984 356 V HN 0.613 nan 8.190 nan 0.000 0.451 357 D N 2.659 123.020 120.400 -0.064 0.000 2.602 357 D HA 0.253 4.893 4.640 -0.000 0.000 0.236 357 D C 0.865 177.119 176.300 -0.078 0.000 1.209 357 D CA -0.865 53.103 54.000 -0.053 0.000 0.831 357 D CB 1.267 42.058 40.800 -0.015 0.000 1.478 357 D HN 0.337 nan 8.370 nan 0.000 0.438 358 I N 0.297 120.836 120.570 -0.053 0.000 2.285 358 I HA -0.383 3.787 4.170 -0.000 0.000 0.253 358 I C 0.837 176.903 176.117 -0.085 0.000 1.104 358 I CA 1.670 62.934 61.300 -0.060 0.000 1.372 358 I CB -0.022 37.981 38.000 0.005 0.000 1.057 358 I HN 0.341 nan 8.210 nan 0.000 0.431 359 N N 0.093 118.754 118.700 -0.064 0.000 2.148 359 N HA -0.090 4.649 4.740 -0.000 0.000 0.186 359 N C 1.717 177.175 175.510 -0.086 0.000 1.031 359 N CA 2.165 55.174 53.050 -0.068 0.000 0.848 359 N CB -0.580 37.884 38.487 -0.039 0.000 1.005 359 N HN 0.402 nan 8.380 nan 0.000 0.427 360 T N 1.786 116.293 114.554 -0.079 0.000 2.867 360 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 360 T C 2.022 176.630 174.700 -0.154 0.000 1.057 360 T CA 0.333 62.384 62.100 -0.082 0.000 1.136 360 T CB -0.325 68.516 68.868 -0.045 0.000 0.874 360 T HN 0.037 nan 8.240 nan 0.000 0.466 361 L N 1.520 122.609 121.223 -0.224 0.000 2.013 361 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 361 L C 2.600 179.231 176.870 -0.398 0.000 1.073 361 L CA 1.928 56.519 54.840 -0.416 0.000 0.753 361 L CB -0.824 40.994 42.059 -0.402 0.000 0.890 361 L HN 0.142 nan 8.230 nan 0.000 0.432 362 Q N -0.239 119.392 119.800 -0.283 0.000 2.124 362 Q HA -0.220 4.119 4.340 -0.000 0.000 0.202 362 Q C 2.055 177.902 176.000 -0.255 0.000 0.977 362 Q CA 2.055 57.688 55.803 -0.283 0.000 0.850 362 Q CB -0.141 28.499 28.738 -0.163 0.000 0.901 362 Q HN 0.675 nan 8.270 nan 0.000 0.429 363 E N -0.399 119.702 120.200 -0.164 0.000 2.006 363 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 363 E C 2.006 178.553 176.600 -0.089 0.000 0.993 363 E CA 1.425 57.769 56.400 -0.095 0.000 0.808 363 E CB -0.213 29.456 29.700 -0.051 0.000 0.764 363 E HN 0.411 nan 8.360 nan 0.000 0.449 364 I N 0.725 121.247 120.570 -0.080 0.000 2.091 364 I HA -0.324 3.845 4.170 -0.000 0.000 0.239 364 I C 2.431 178.541 176.117 -0.010 0.000 1.061 364 I CA 1.028 62.331 61.300 0.004 0.000 1.317 364 I CB -0.548 37.518 38.000 0.110 0.000 1.031 364 I HN 0.015 nan 8.210 nan 0.000 0.401 365 V N 0.401 120.215 119.914 -0.167 0.000 2.332 365 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 365 V C 2.602 178.540 176.094 -0.261 0.000 1.055 365 V CA 2.021 64.180 62.300 -0.235 0.000 1.038 365 V CB -0.631 30.867 31.823 -0.541 0.000 0.651 365 V HN 0.456 nan 8.190 nan 0.000 0.450 366 E N 0.301 120.281 120.200 -0.365 0.000 2.158 366 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 366 E C 2.294 178.958 176.600 0.106 0.000 0.982 366 E CA 1.107 57.498 56.400 -0.015 0.000 0.823 366 E CB -0.244 29.468 29.700 0.020 0.000 0.766 366 E HN 0.581 nan 8.360 nan 0.000 0.468 367 G N 0.724 109.554 108.800 0.051 0.000 2.432 367 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.219 367 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.219 367 G C 1.671 176.669 174.900 0.164 0.000 1.135 367 G CA 0.645 45.803 45.100 0.098 0.000 0.767 367 G HN 0.189 nan 8.290 nan 0.000 0.550 368 M N -0.151 119.557 119.600 0.180 0.000 2.156 368 M HA 0.060 4.540 4.480 -0.000 0.000 0.264 368 M C 2.483 178.990 176.300 0.345 0.000 1.067 368 M CA 1.360 56.831 55.300 0.285 0.000 1.131 368 M CB -0.230 32.519 32.600 0.249 0.000 1.368 368 M HN 0.204 nan 8.290 nan 0.000 0.416 369 K N 0.848 121.431 120.400 0.305 0.000 1.991 369 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 369 K C 1.892 178.702 176.600 0.349 0.000 1.049 369 K CA 1.867 58.384 56.287 0.384 0.000 0.932 369 K CB -0.102 32.622 32.500 0.374 0.000 0.717 369 K HN 0.317 nan 8.250 nan 0.000 0.441 370 Q N 0.000 119.949 119.800 0.248 0.000 2.152 370 Q HA -0.140 4.199 4.340 -0.000 0.000 0.206 370 Q C 1.377 177.466 176.000 0.147 0.000 0.985 370 Q CA 1.367 57.273 55.803 0.171 0.000 0.863 370 Q CB 0.081 28.901 28.738 0.137 0.000 0.904 370 Q HN 0.123 nan 8.270 nan 0.000 0.422 371 K N 0.402 120.922 120.400 0.199 0.000 2.458 371 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 371 K C 0.087 176.722 176.600 0.058 0.000 1.024 371 K CA 0.291 56.687 56.287 0.182 0.000 1.108 371 K CB 0.355 33.066 32.500 0.352 0.000 0.846 371 K HN 0.200 nan 8.250 nan 0.000 0.518 372 K N -1.456 119.006 120.400 0.102 0.000 3.472 372 K HA -0.195 4.125 4.320 -0.000 0.000 0.315 372 K C -0.533 176.116 176.600 0.081 0.000 1.320 372 K CA 0.936 57.217 56.287 -0.010 0.000 0.962 372 K CB -1.598 30.752 32.500 -0.250 0.000 1.251 372 K HN 0.150 nan 8.250 nan 0.000 0.443 373 W N 1.734 123.188 121.300 0.257 0.000 2.316 373 W HA 0.274 4.933 4.660 -0.000 0.000 0.321 373 W C 1.027 177.676 176.519 0.216 0.000 1.203 373 W CA -0.360 57.102 57.345 0.196 0.000 1.214 373 W CB 1.235 30.763 29.460 0.114 0.000 1.169 373 W HN -0.016 nan 8.180 nan 0.000 0.561 374 S N 3.551 119.513 115.700 0.436 0.000 2.545 374 S HA 0.146 4.616 4.470 -0.000 0.000 0.275 374 S C 1.047 175.736 174.600 0.149 0.000 1.299 374 S CA -0.744 57.577 58.200 0.203 0.000 1.048 374 S CB 0.417 63.729 63.200 0.187 0.000 0.938 374 S HN 0.403 nan 8.310 nan 0.000 0.496 375 I N 4.146 124.755 120.570 0.065 0.000 3.164 375 I HA -0.070 4.099 4.170 -0.000 0.000 0.278 375 I C 1.912 178.080 176.117 0.084 0.000 1.320 375 I CA 1.032 62.395 61.300 0.104 0.000 1.422 375 I CB -1.747 36.321 38.000 0.114 0.000 1.066 375 I HN 0.773 nan 8.210 nan 0.000 0.503 376 E N 0.927 121.166 120.200 0.065 0.000 2.072 376 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 376 E C 1.755 178.361 176.600 0.010 0.000 0.982 376 E CA 0.690 57.116 56.400 0.043 0.000 0.803 376 E CB -0.029 29.698 29.700 0.044 0.000 0.755 376 E HN 0.545 nan 8.360 nan 0.000 0.453 377 N N 0.661 119.372 118.700 0.019 0.000 2.137 377 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 377 N C 0.428 175.855 175.510 -0.139 0.000 1.017 377 N CA 0.851 53.872 53.050 -0.049 0.000 0.859 377 N CB 0.090 38.561 38.487 -0.026 0.000 1.002 377 N HN -0.018 nan 8.380 nan 0.000 0.428 378 V N 0.924 120.748 119.914 -0.150 0.000 2.555 378 V HA 0.342 4.461 4.120 -0.000 0.000 0.302 378 V C -0.157 175.754 176.094 -0.306 0.000 1.038 378 V CA -0.856 61.258 62.300 -0.311 0.000 0.887 378 V CB 1.920 33.454 31.823 -0.482 0.000 0.991 378 V HN 0.176 nan 8.190 nan 0.000 0.434 379 S N 3.461 118.944 115.700 -0.361 0.000 2.513 379 S HA 0.861 5.331 4.470 -0.000 0.000 0.299 379 S C -0.998 173.398 174.600 -0.340 0.000 1.087 379 S CA -0.598 57.504 58.200 -0.164 0.000 1.012 379 S CB 1.514 64.699 63.200 -0.025 0.000 1.044 379 S HN 0.294 nan 8.310 nan 0.000 0.485 380 F N 0.664 120.579 119.950 -0.059 0.000 2.461 380 F HA 0.867 5.394 4.527 -0.000 0.000 0.337 380 F C 1.059 176.722 175.800 -0.228 0.000 1.079 380 F CA -0.586 57.342 58.000 -0.120 0.000 1.032 380 F CB 1.453 40.375 39.000 -0.129 0.000 1.327 380 F HN 0.953 nan 8.300 nan 0.000 0.491 381 G N -0.083 108.632 108.800 -0.143 0.000 2.711 381 G HA2 0.457 4.417 3.960 -0.000 0.000 0.288 381 G HA3 0.457 4.417 3.960 -0.000 0.000 0.288 381 G C -1.900 172.660 174.900 -0.567 0.000 1.451 381 G CA -0.611 44.045 45.100 -0.740 0.000 1.186 381 G HN 0.624 nan 8.290 nan 0.000 0.560 382 S N 1.202 116.608 115.700 -0.491 0.000 2.473 382 S HA 0.768 5.238 4.470 -0.000 0.000 0.307 382 S C 1.040 175.541 174.600 -0.166 0.000 1.094 382 S CA 0.282 58.344 58.200 -0.231 0.000 1.070 382 S CB 1.444 64.546 63.200 -0.163 0.000 1.019 382 S HN 1.023 nan 8.310 nan 0.000 0.480 383 G N 3.434 112.235 108.800 0.002 0.000 2.568 383 G HA2 0.297 4.257 3.960 -0.000 0.000 0.212 383 G HA3 0.297 4.257 3.960 -0.000 0.000 0.212 383 G C 1.319 176.247 174.900 0.046 0.000 1.821 383 G CA 0.414 45.564 45.100 0.084 0.000 0.904 383 G HN 0.950 nan 8.290 nan 0.000 0.566 384 G N 1.028 109.866 108.800 0.063 0.000 2.476 384 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.218 384 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.218 384 G C 2.064 176.994 174.900 0.050 0.000 1.164 384 G CA 2.052 47.187 45.100 0.058 0.000 0.768 384 G HN 0.777 nan 8.290 nan 0.000 0.560 385 A N 0.376 123.217 122.820 0.034 0.000 1.908 385 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 385 A C 2.384 179.982 177.584 0.022 0.000 1.181 385 A CA 1.853 53.909 52.037 0.032 0.000 0.627 385 A CB -0.504 18.504 19.000 0.015 0.000 0.818 385 A HN 0.501 nan 8.150 nan 0.000 0.445 386 L N -0.765 120.447 121.223 -0.018 0.000 2.046 386 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 386 L C 1.954 178.808 176.870 -0.028 0.000 1.077 386 L CA 1.876 56.686 54.840 -0.050 0.000 0.747 386 L CB -0.273 41.700 42.059 -0.143 0.000 0.896 386 L HN 0.392 nan 8.230 nan 0.000 0.432 387 L N -2.154 119.073 121.223 0.007 0.000 2.638 387 L HA 0.224 4.563 4.340 -0.000 0.000 0.232 387 L C 0.712 177.691 176.870 0.182 0.000 1.099 387 L CA -0.233 54.649 54.840 0.069 0.000 0.883 387 L CB 0.279 42.366 42.059 0.047 0.000 1.136 387 L HN 0.317 nan 8.230 nan 0.000 0.492 388 Q N -0.747 119.135 119.800 0.136 0.000 2.892 388 Q HA 0.329 4.668 4.340 -0.000 0.000 0.307 388 Q C -0.277 175.806 176.000 0.139 0.000 1.039 388 Q CA -0.614 55.279 55.803 0.150 0.000 0.792 388 Q CB 1.395 30.190 28.738 0.095 0.000 1.504 388 Q HN -0.048 nan 8.270 nan 0.000 0.487 389 K N -0.805 119.673 120.400 0.130 0.000 3.339 389 K HA -0.119 4.200 4.320 -0.000 0.000 0.299 389 K C -1.643 175.045 176.600 0.146 0.000 1.270 389 K CA 0.545 56.898 56.287 0.110 0.000 0.875 389 K CB -1.286 31.264 32.500 0.082 0.000 1.298 389 K HN 0.329 nan 8.250 nan 0.000 0.485 390 L N 0.562 121.921 121.223 0.228 0.000 2.346 390 L HA 0.679 5.019 4.340 -0.000 0.000 0.274 390 L C 0.506 177.618 176.870 0.404 0.000 1.007 390 L CA -0.008 55.024 54.840 0.320 0.000 0.818 390 L CB 1.569 43.866 42.059 0.395 0.000 1.284 390 L HN 0.341 nan 8.230 nan 0.000 0.424 391 T N -1.495 113.198 114.554 0.231 0.000 2.883 391 T HA 0.424 4.773 4.350 -0.000 0.000 0.296 391 T C 0.685 174.998 174.700 -0.645 0.000 1.117 391 T CA -0.819 61.139 62.100 -0.236 0.000 1.006 391 T CB 1.653 70.416 68.868 -0.175 0.000 1.191 391 T HN 0.543 nan 8.240 nan 0.000 0.508 392 R N 0.041 119.727 120.500 -1.357 0.000 2.328 392 R HA -0.059 4.281 4.340 -0.000 0.000 0.207 392 R C 0.727 176.795 176.300 -0.387 0.000 1.056 392 R CA 1.194 56.671 56.100 -1.038 0.000 1.016 392 R CB -0.303 29.307 30.300 -1.149 0.000 0.872 392 R HN 0.646 nan 8.270 nan 0.000 0.471 393 D N 0.619 120.838 120.400 -0.302 0.000 2.120 393 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 393 D C 1.856 178.113 176.300 -0.072 0.000 0.972 393 D CA 0.593 54.504 54.000 -0.148 0.000 0.837 393 D CB -0.191 40.541 40.800 -0.113 0.000 0.989 393 D HN 0.143 nan 8.370 nan 0.000 0.469 394 L N 1.162 122.359 121.223 -0.044 0.000 1.976 394 L HA -0.210 4.130 4.340 -0.000 0.000 0.223 394 L C 1.986 178.839 176.870 -0.028 0.000 1.081 394 L CA 1.817 56.657 54.840 0.000 0.000 0.784 394 L CB -0.603 41.456 42.059 0.001 0.000 0.896 394 L HN 0.021 nan 8.230 nan 0.000 0.438 395 L N -0.914 120.273 121.223 -0.059 0.000 2.628 395 L HA 0.134 4.474 4.340 -0.000 0.000 0.229 395 L C 0.575 177.421 176.870 -0.039 0.000 1.137 395 L CA 0.143 54.946 54.840 -0.061 0.000 0.909 395 L CB -0.579 41.436 42.059 -0.073 0.000 1.137 395 L HN 0.463 nan 8.230 nan 0.000 0.470 396 N N -0.044 118.625 118.700 -0.051 0.000 2.740 396 N HA -0.168 4.571 4.740 -0.000 0.000 0.248 396 N C -0.117 175.314 175.510 -0.131 0.000 1.062 396 N CA -0.094 52.908 53.050 -0.081 0.000 0.704 396 N CB -0.943 37.506 38.487 -0.064 0.000 0.968 396 N HN 0.363 nan 8.380 nan 0.000 0.547 397 C N 0.812 120.058 119.300 -0.090 0.000 2.657 397 C HA 0.399 4.858 4.460 -0.000 0.000 0.404 397 C C 1.092 175.964 174.990 -0.196 0.000 1.369 397 C CA -0.225 58.695 59.018 -0.163 0.000 1.665 397 C CB 0.255 28.189 27.740 0.323 0.000 2.453 397 C HN 0.360 nan 8.230 nan 0.000 0.599 398 S N 1.918 117.329 115.700 -0.481 0.000 2.549 398 S HA 0.723 5.193 4.470 -0.000 0.000 0.280 398 S C -1.297 173.155 174.600 -0.246 0.000 1.109 398 S CA -0.411 57.650 58.200 -0.230 0.000 0.905 398 S CB 0.964 64.043 63.200 -0.202 0.000 1.081 398 S HN 0.582 nan 8.310 nan 0.000 0.477 399 F N 3.639 123.521 119.950 -0.113 0.000 2.382 399 F HA 0.708 5.235 4.527 -0.000 0.000 0.361 399 F C -0.398 175.331 175.800 -0.119 0.000 1.109 399 F CA -0.371 57.578 58.000 -0.085 0.000 1.031 399 F CB 0.764 39.860 39.000 0.160 0.000 1.234 399 F HN 0.454 nan 8.300 nan 0.000 0.445 400 K N 4.201 124.268 120.400 -0.555 0.000 2.385 400 K HA 0.475 4.794 4.320 -0.000 0.000 0.248 400 K C -1.404 175.086 176.600 -0.183 0.000 0.955 400 K CA -0.580 55.563 56.287 -0.239 0.000 0.816 400 K CB 1.825 34.274 32.500 -0.084 0.000 1.250 400 K HN 0.615 nan 8.250 nan 0.000 0.434 401 C N 2.237 121.555 119.300 0.029 0.000 2.415 401 C HA 0.444 4.904 4.460 -0.000 0.000 0.369 401 C C 1.348 176.485 174.990 0.244 0.000 1.279 401 C CA 0.244 59.339 59.018 0.127 0.000 1.886 401 C CB -0.876 26.970 27.740 0.176 0.000 2.468 401 C HN 0.888 nan 8.230 nan 0.000 0.553 402 S N 3.753 119.642 115.700 0.315 0.000 2.554 402 S HA 0.202 4.672 4.470 -0.000 0.000 0.227 402 S C -0.176 174.640 174.600 0.359 0.000 1.050 402 S CA -0.054 58.328 58.200 0.304 0.000 0.927 402 S CB -0.059 63.236 63.200 0.157 0.000 0.859 402 S HN 0.878 nan 8.310 nan 0.000 0.494 403 Y N 0.627 121.087 120.300 0.266 0.000 2.545 403 Y HA 0.726 5.276 4.550 -0.000 0.000 0.348 403 Y C -1.414 174.587 175.900 0.167 0.000 1.002 403 Y CA -1.218 56.969 58.100 0.146 0.000 1.039 403 Y CB 2.193 40.631 38.460 -0.037 0.000 1.271 403 Y HN 0.029 nan 8.280 nan 0.000 0.467 404 V N 4.338 123.955 119.914 -0.495 0.000 3.023 404 V HA 0.330 4.450 4.120 -0.000 0.000 0.294 404 V C -1.557 174.196 176.094 -0.569 0.000 1.324 404 V CA -1.035 61.049 62.300 -0.360 0.000 0.979 404 V CB 2.069 33.846 31.823 -0.077 0.000 1.093 404 V HN 0.579 nan 8.190 nan 0.000 0.434 405 V N 2.922 122.607 119.914 -0.381 0.000 2.328 405 V HA 0.514 4.634 4.120 -0.000 0.000 0.278 405 V C 0.143 176.150 176.094 -0.146 0.000 1.021 405 V CA -0.200 61.937 62.300 -0.273 0.000 0.838 405 V CB 1.630 33.353 31.823 -0.167 0.000 0.999 405 V HN 0.942 nan 8.190 nan 0.000 0.447 406 T N 5.073 119.556 114.554 -0.117 0.000 2.809 406 T HA 0.367 4.717 4.350 -0.000 0.000 0.296 406 T C 0.361 175.024 174.700 -0.062 0.000 1.015 406 T CA -0.328 61.724 62.100 -0.080 0.000 0.954 406 T CB 0.220 69.053 68.868 -0.058 0.000 0.950 406 T HN 0.737 nan 8.240 nan 0.000 0.450 407 N N 2.446 121.112 118.700 -0.058 0.000 2.758 407 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 407 N C 1.171 176.663 175.510 -0.030 0.000 1.076 407 N CA 1.283 54.309 53.050 -0.041 0.000 0.696 407 N CB -1.297 37.170 38.487 -0.033 0.000 0.979 407 N HN 1.240 nan 8.380 nan 0.000 0.550 408 G N -1.669 107.113 108.800 -0.030 0.000 2.328 408 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 408 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 408 G C 0.017 174.912 174.900 -0.009 0.000 1.014 408 G CA 0.911 46.002 45.100 -0.014 0.000 0.620 408 G HN 0.626 nan 8.290 nan 0.000 0.530 409 L N -0.390 120.820 121.223 -0.021 0.000 2.313 409 L HA 0.892 5.232 4.340 -0.000 0.000 0.283 409 L C 0.758 177.599 176.870 -0.048 0.000 1.013 409 L CA -0.738 54.096 54.840 -0.010 0.000 0.816 409 L CB 1.038 43.096 42.059 -0.002 0.000 1.236 409 L HN 0.412 nan 8.230 nan 0.000 0.419 410 G N 1.881 110.661 108.800 -0.035 0.000 2.569 410 G HA2 0.571 4.530 3.960 -0.000 0.000 0.249 410 G HA3 0.571 4.530 3.960 -0.000 0.000 0.249 410 G C -0.439 174.419 174.900 -0.070 0.000 1.216 410 G CA -0.020 44.963 45.100 -0.196 0.000 0.845 410 G HN 1.177 nan 8.290 nan 0.000 0.568 411 V N -1.353 118.471 119.914 -0.150 0.000 2.808 411 V HA 0.494 4.614 4.120 -0.000 0.000 0.308 411 V C -1.012 175.141 176.094 0.098 0.000 1.099 411 V CA -1.705 60.604 62.300 0.014 0.000 0.920 411 V CB 1.929 33.753 31.823 0.001 0.000 1.014 411 V HN 0.546 nan 8.190 nan 0.000 0.425 412 N N 2.605 121.409 118.700 0.173 0.000 2.411 412 N HA 0.522 5.261 4.740 -0.000 0.000 0.259 412 N C -0.352 175.327 175.510 0.282 0.000 1.103 412 N CA -0.054 53.127 53.050 0.218 0.000 0.954 412 N CB 1.682 40.249 38.487 0.133 0.000 1.085 412 N HN 0.671 nan 8.380 nan 0.000 0.485 413 V N 3.273 123.364 119.914 0.294 0.000 2.850 413 V HA 0.744 4.864 4.120 -0.000 0.000 0.315 413 V C -0.292 176.072 176.094 0.450 0.000 1.064 413 V CA -0.491 61.990 62.300 0.301 0.000 0.979 413 V CB 0.924 32.844 31.823 0.161 0.000 1.039 413 V HN 0.688 nan 8.190 nan 0.000 0.452 414 F N 0.878 120.866 119.950 0.063 0.000 2.878 414 F HA 0.614 5.141 4.527 -0.000 0.000 0.322 414 F C -1.242 174.585 175.800 0.046 0.000 1.154 414 F CA -1.561 56.477 58.000 0.064 0.000 0.896 414 F CB 1.260 40.290 39.000 0.049 0.000 1.313 414 F HN 0.465 nan 8.300 nan 0.000 0.451 415 K N 0.372 120.750 120.400 -0.036 0.000 2.259 415 K HA 0.698 5.018 4.320 -0.000 0.000 0.249 415 K C -1.821 174.800 176.600 0.036 0.000 0.942 415 K CA -0.779 55.436 56.287 -0.121 0.000 0.816 415 K CB 2.403 34.883 32.500 -0.034 0.000 1.155 415 K HN 0.662 nan 8.250 nan 0.000 0.428 416 D N 2.744 123.135 120.400 -0.014 0.000 2.714 416 D HA 0.206 4.846 4.640 -0.000 0.000 0.264 416 D C -2.367 173.951 176.300 0.030 0.000 1.231 416 D CA -1.341 52.709 54.000 0.082 0.000 0.802 416 D CB 0.883 41.798 40.800 0.192 0.000 1.319 416 D HN 0.477 nan 8.370 nan 0.000 0.528 417 P HA -0.041 nan 4.420 nan 0.000 0.266 417 P C 1.102 178.412 177.300 0.017 0.000 1.195 417 P CA -0.316 62.788 63.100 0.008 0.000 0.768 417 P CB 1.765 33.469 31.700 0.007 0.000 0.838 418 V N 2.829 122.749 119.914 0.011 0.000 2.323 418 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 418 V C 2.162 178.264 176.094 0.013 0.000 1.041 418 V CA 2.268 64.576 62.300 0.014 0.000 1.025 418 V CB -1.174 30.655 31.823 0.009 0.000 0.656 418 V HN 0.684 nan 8.190 nan 0.000 0.451 419 A N -0.642 122.183 122.820 0.009 0.000 2.264 419 A HA 0.009 4.329 4.320 -0.000 0.000 0.207 419 A C 0.902 178.491 177.584 0.009 0.000 1.196 419 A CA 1.221 53.262 52.037 0.007 0.000 0.778 419 A CB -0.389 18.614 19.000 0.004 0.000 0.779 419 A HN 0.674 nan 8.150 nan 0.000 0.483 420 D N -1.232 119.176 120.400 0.013 0.000 2.474 420 D HA 0.097 4.737 4.640 -0.000 0.000 0.234 420 D C -2.608 173.706 176.300 0.023 0.000 1.323 420 D CA -0.728 53.280 54.000 0.015 0.000 0.915 420 D CB 1.211 42.017 40.800 0.010 0.000 1.487 420 D HN 0.050 nan 8.370 nan 0.000 0.524 421 P HA -0.026 nan 4.420 nan 0.000 0.233 421 P C 0.944 178.264 177.300 0.032 0.000 1.167 421 P CA 0.392 63.513 63.100 0.034 0.000 0.770 421 P CB 0.354 32.071 31.700 0.029 0.000 0.837 422 N N 0.307 119.021 118.700 0.023 0.000 2.459 422 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 422 N C 1.326 176.849 175.510 0.021 0.000 1.046 422 N CA 0.432 53.493 53.050 0.019 0.000 0.904 422 N CB -0.012 38.482 38.487 0.012 0.000 0.964 422 N HN 0.099 nan 8.380 nan 0.000 0.444 423 K N 0.721 121.137 120.400 0.027 0.000 2.410 423 K HA 0.136 4.455 4.320 -0.000 0.000 0.200 423 K C -0.242 176.394 176.600 0.059 0.000 1.023 423 K CA -0.168 56.137 56.287 0.030 0.000 1.149 423 K CB 0.432 32.944 32.500 0.020 0.000 0.859 423 K HN 0.128 nan 8.250 nan 0.000 0.514 424 R N 1.454 122.000 120.500 0.077 0.000 2.623 424 R HA 0.028 4.367 4.340 -0.000 0.000 0.271 424 R C 0.354 176.739 176.300 0.141 0.000 1.043 424 R CA 0.209 56.387 56.100 0.131 0.000 1.083 424 R CB 0.689 31.056 30.300 0.112 0.000 0.974 424 R HN 0.093 nan 8.270 nan 0.000 0.436 425 S N 1.962 117.795 115.700 0.221 0.000 2.593 425 S HA 0.359 4.829 4.470 -0.000 0.000 0.297 425 S C -0.208 174.521 174.600 0.216 0.000 1.112 425 S CA -1.153 57.194 58.200 0.244 0.000 1.043 425 S CB 1.899 65.258 63.200 0.265 0.000 1.054 425 S HN 0.379 nan 8.310 nan 0.000 0.516 426 K N 1.234 121.732 120.400 0.163 0.000 2.336 426 K HA 0.197 4.517 4.320 -0.000 0.000 0.262 426 K C -0.030 176.527 176.600 -0.072 0.000 0.992 426 K CA -0.157 56.068 56.287 -0.105 0.000 0.927 426 K CB 0.289 32.521 32.500 -0.446 0.000 0.956 426 K HN 0.780 nan 8.250 nan 0.000 0.495 427 K N -0.419 119.895 120.400 -0.142 0.000 2.422 427 K HA 0.612 4.931 4.320 -0.000 0.000 0.251 427 K C -0.167 176.399 176.600 -0.058 0.000 0.933 427 K CA -0.734 55.522 56.287 -0.051 0.000 0.798 427 K CB 1.882 34.258 32.500 -0.208 0.000 1.238 427 K HN 0.722 nan 8.250 nan 0.000 0.428 428 G N 1.654 110.484 108.800 0.052 0.000 2.728 428 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.294 428 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.294 428 G C -1.126 173.708 174.900 -0.109 0.000 1.342 428 G CA -0.967 44.142 45.100 0.015 0.000 0.866 428 G HN 0.678 nan 8.290 nan 0.000 0.534 429 R N -0.274 119.988 120.500 -0.397 0.000 2.449 429 R HA 0.357 4.697 4.340 -0.000 0.000 0.296 429 R C 0.587 176.743 176.300 -0.241 0.000 1.047 429 R CA 0.004 55.719 56.100 -0.642 0.000 1.018 429 R CB 0.182 29.943 30.300 -0.898 0.000 0.962 429 R HN 0.429 nan 8.270 nan 0.000 0.428 430 L N 1.456 122.676 121.223 -0.004 0.000 2.387 430 L HA 0.484 4.824 4.340 -0.000 0.000 0.266 430 L C 0.222 177.098 176.870 0.011 0.000 1.059 430 L CA -0.606 54.222 54.840 -0.020 0.000 0.801 430 L CB 1.673 43.681 42.059 -0.086 0.000 1.223 430 L HN 0.727 nan 8.230 nan 0.000 0.456 431 S N 1.335 117.003 115.700 -0.053 0.000 2.548 431 S HA 0.442 4.912 4.470 -0.000 0.000 0.278 431 S C -1.338 173.031 174.600 -0.385 0.000 1.150 431 S CA -0.782 57.326 58.200 -0.154 0.000 0.907 431 S CB 1.729 64.927 63.200 -0.005 0.000 1.108 431 S HN 0.421 nan 8.310 nan 0.000 0.459 432 L N 3.988 124.925 121.223 -0.478 0.000 2.275 432 L HA 0.611 4.950 4.340 -0.000 0.000 0.288 432 L C -1.004 175.505 176.870 -0.601 0.000 1.046 432 L CA 0.262 54.872 54.840 -0.383 0.000 0.805 432 L CB 0.392 42.352 42.059 -0.165 0.000 1.193 432 L HN 0.940 nan 8.230 nan 0.000 0.426 433 H N 4.431 123.520 119.070 0.033 0.000 2.928 433 H HA 0.421 4.977 4.556 -0.000 0.000 0.371 433 H C -0.737 174.602 175.328 0.017 0.000 1.186 433 H CA -0.826 55.238 56.048 0.026 0.000 1.134 433 H CB 2.288 32.028 29.762 -0.037 0.000 1.824 433 H HN 0.510 nan 8.280 nan 0.000 0.554 434 R N 1.135 121.701 120.500 0.111 0.000 2.349 434 R HA 0.257 4.597 4.340 -0.000 0.000 0.299 434 R C 0.026 176.362 176.300 0.060 0.000 1.027 434 R CA -0.334 55.706 56.100 -0.099 0.000 0.958 434 R CB 0.881 31.089 30.300 -0.153 0.000 1.047 434 R HN 0.777 nan 8.270 nan 0.000 0.468 435 T N 0.018 114.585 114.554 0.022 0.000 2.881 435 T HA 0.306 4.655 4.350 -0.000 0.000 0.278 435 T C -1.466 173.268 174.700 0.056 0.000 0.982 435 T CA -1.587 60.612 62.100 0.164 0.000 0.989 435 T CB 1.481 70.429 68.868 0.134 0.000 1.058 435 T HN 0.418 nan 8.240 nan 0.000 0.529 436 P HA 0.006 nan 4.420 nan 0.000 0.225 436 P C 0.967 178.259 177.300 -0.014 0.000 1.148 436 P CA 0.697 63.790 63.100 -0.011 0.000 0.779 436 P CB -0.238 31.439 31.700 -0.038 0.000 0.780 437 A N -0.820 121.999 122.820 -0.002 0.000 2.337 437 A HA 0.505 4.824 4.320 -0.000 0.000 0.227 437 A C 1.740 179.305 177.584 -0.032 0.000 1.259 437 A CA 0.653 52.684 52.037 -0.011 0.000 0.870 437 A CB -0.932 18.071 19.000 0.005 0.000 0.927 437 A HN 0.280 nan 8.150 nan 0.000 0.497 438 G N -1.106 107.657 108.800 -0.062 0.000 2.336 438 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.233 438 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.233 438 G C 0.850 175.613 174.900 -0.229 0.000 1.053 438 G CA 0.625 45.655 45.100 -0.116 0.000 0.625 438 G HN 0.671 nan 8.290 nan 0.000 0.511 439 T N 0.935 115.396 114.554 -0.156 0.000 3.141 439 T HA 0.549 4.899 4.350 -0.000 0.000 0.391 439 T C 0.356 174.825 174.700 -0.385 0.000 1.170 439 T CA 0.711 62.714 62.100 -0.162 0.000 1.054 439 T CB 0.255 69.147 68.868 0.039 0.000 1.487 439 T HN 0.257 nan 8.240 nan 0.000 0.530 440 F N -1.062 118.898 119.950 0.016 0.000 2.618 440 F HA 0.728 5.255 4.527 -0.000 0.000 0.332 440 F C -0.182 175.601 175.800 -0.028 0.000 1.061 440 F CA -0.999 57.000 58.000 -0.001 0.000 0.974 440 F CB 1.666 40.658 39.000 -0.013 0.000 1.310 440 F HN 0.118 nan 8.300 nan 0.000 0.491 441 V N 0.450 120.447 119.914 0.138 0.000 2.852 441 V HA 0.327 4.447 4.120 -0.000 0.000 0.300 441 V C -1.102 174.971 176.094 -0.034 0.000 1.205 441 V CA -0.733 61.558 62.300 -0.015 0.000 0.940 441 V CB 2.481 34.182 31.823 -0.202 0.000 1.047 441 V HN 0.783 nan 8.190 nan 0.000 0.429 442 T N 6.600 121.123 114.554 -0.051 0.000 2.753 442 T HA 0.564 4.914 4.350 -0.000 0.000 0.297 442 T C -0.220 174.434 174.700 -0.076 0.000 0.981 442 T CA -0.164 61.895 62.100 -0.069 0.000 0.956 442 T CB 0.344 69.171 68.868 -0.069 0.000 0.936 442 T HN 0.342 nan 8.240 nan 0.000 0.463 443 L N 3.721 124.928 121.223 -0.025 0.000 2.312 443 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 443 L C 0.843 177.678 176.870 -0.058 0.000 1.070 443 L CA -0.537 54.286 54.840 -0.028 0.000 0.805 443 L CB 1.062 43.153 42.059 0.054 0.000 1.174 443 L HN 0.633 nan 8.230 nan 0.000 0.434 444 E N 1.225 121.373 120.200 -0.087 0.000 2.819 444 E HA 0.216 4.565 4.350 -0.000 0.000 0.241 444 E C -0.281 176.256 176.600 -0.104 0.000 0.987 444 E CA -0.850 55.481 56.400 -0.115 0.000 1.024 444 E CB 0.529 30.145 29.700 -0.139 0.000 1.448 444 E HN 0.474 nan 8.360 nan 0.000 0.484 445 E N -0.270 119.861 120.200 -0.115 0.000 2.360 445 E HA -0.334 4.016 4.350 -0.000 0.000 0.236 445 E C 0.579 177.111 176.600 -0.113 0.000 1.312 445 E CA 0.302 56.643 56.400 -0.099 0.000 0.714 445 E CB -1.786 27.868 29.700 -0.078 0.000 1.202 445 E HN 0.928 nan 8.360 nan 0.000 0.386 446 G N 0.091 108.799 108.800 -0.153 0.000 2.196 446 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.268 446 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.268 446 G C 0.806 175.656 174.900 -0.084 0.000 0.975 446 G CA 0.922 45.928 45.100 -0.156 0.000 0.648 446 G HN 0.425 nan 8.290 nan 0.000 0.538 447 K N 0.329 120.692 120.400 -0.061 0.000 2.442 447 K HA -0.007 4.312 4.320 -0.000 0.000 0.199 447 K C 2.472 179.058 176.600 -0.023 0.000 1.044 447 K CA 0.800 57.065 56.287 -0.037 0.000 0.941 447 K CB -0.317 32.165 32.500 -0.030 0.000 0.759 447 K HN 0.438 nan 8.250 nan 0.000 0.472 448 G N 1.047 109.852 108.800 0.009 0.000 2.708 448 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.210 448 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.210 448 G C 0.649 175.559 174.900 0.017 0.000 1.141 448 G CA 0.384 45.520 45.100 0.060 0.000 0.788 448 G HN 0.244 nan 8.290 nan 0.000 0.531 449 D N -0.010 120.384 120.400 -0.010 0.000 2.349 449 D HA 0.102 4.742 4.640 -0.000 0.000 0.214 449 D C 1.973 178.256 176.300 -0.028 0.000 1.063 449 D CA -0.132 53.861 54.000 -0.013 0.000 0.847 449 D CB 0.489 41.275 40.800 -0.023 0.000 0.933 449 D HN 0.311 nan 8.370 nan 0.000 0.513 450 L N 0.965 122.164 121.223 -0.040 0.000 2.627 450 L HA -0.003 4.337 4.340 -0.000 0.000 0.233 450 L C 0.306 177.138 176.870 -0.063 0.000 1.144 450 L CA 0.257 55.070 54.840 -0.045 0.000 0.892 450 L CB -0.170 41.865 42.059 -0.039 0.000 1.039 450 L HN -0.119 nan 8.230 nan 0.000 0.442 451 E N -0.674 119.483 120.200 -0.072 0.000 2.722 451 E HA -0.259 4.090 4.350 -0.000 0.000 0.265 451 E C 0.706 177.226 176.600 -0.134 0.000 1.081 451 E CA 1.003 57.343 56.400 -0.100 0.000 0.781 451 E CB -1.525 28.126 29.700 -0.080 0.000 1.372 451 E HN 0.671 nan 8.360 nan 0.000 0.423 452 E N -0.315 119.806 120.200 -0.132 0.000 1.999 452 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 452 E C 0.456 176.920 176.600 -0.227 0.000 0.960 452 E CA 0.885 57.175 56.400 -0.183 0.000 0.870 452 E CB -0.241 29.396 29.700 -0.105 0.000 0.827 452 E HN 0.255 nan 8.360 nan 0.000 0.511 453 Y N 1.765 121.885 120.300 -0.300 0.000 2.734 453 Y HA 0.244 4.793 4.550 -0.000 0.000 0.353 453 Y C 1.152 176.944 175.900 -0.179 0.000 1.244 453 Y CA 0.428 58.391 58.100 -0.228 0.000 1.950 453 Y CB -0.724 37.621 38.460 -0.191 0.000 2.028 453 Y HN 0.406 nan 8.280 nan 0.000 0.421 454 G N 0.544 109.297 108.800 -0.078 0.000 2.578 454 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.275 454 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.275 454 G C -0.317 174.500 174.900 -0.138 0.000 1.271 454 G CA -0.322 44.693 45.100 -0.140 0.000 0.941 454 G HN 0.591 nan 8.290 nan 0.000 0.564 455 H N 0.890 120.055 119.070 0.158 0.000 2.482 455 H HA 0.350 4.906 4.556 -0.000 0.000 0.344 455 H C 0.223 175.690 175.328 0.232 0.000 1.151 455 H CA -0.241 55.913 56.048 0.177 0.000 1.300 455 H CB 1.001 30.834 29.762 0.119 0.000 1.494 455 H HN 0.555 nan 8.280 nan 0.000 0.542 456 D N 1.560 122.140 120.400 0.300 0.000 2.455 456 D HA -0.046 4.593 4.640 -0.000 0.000 0.241 456 D C 0.988 177.290 176.300 0.004 0.000 1.138 456 D CA 0.099 54.121 54.000 0.037 0.000 0.877 456 D CB 0.920 41.743 40.800 0.037 0.000 1.187 456 D HN 0.446 nan 8.370 nan 0.000 0.451 457 L N 3.249 124.415 121.223 -0.095 0.000 2.509 457 L HA 0.115 4.455 4.340 -0.000 0.000 0.222 457 L C 0.896 177.599 176.870 -0.279 0.000 1.123 457 L CA -0.023 54.743 54.840 -0.124 0.000 0.856 457 L CB -0.060 41.996 42.059 -0.004 0.000 0.985 457 L HN 0.230 nan 8.230 nan 0.000 0.456 458 L N -0.331 120.782 121.223 -0.183 0.000 2.426 458 L HA 0.126 4.466 4.340 -0.000 0.000 0.271 458 L C -0.284 176.541 176.870 -0.075 0.000 1.169 458 L CA 0.046 54.810 54.840 -0.127 0.000 0.836 458 L CB 0.434 42.474 42.059 -0.031 0.000 1.112 458 L HN 0.111 nan 8.230 nan 0.000 0.465 459 H N 0.154 119.288 119.070 0.108 0.000 2.495 459 H HA 0.210 4.766 4.556 -0.000 0.000 0.348 459 H C -0.441 174.960 175.328 0.123 0.000 1.113 459 H CA -0.893 55.229 56.048 0.124 0.000 1.195 459 H CB 1.633 31.500 29.762 0.175 0.000 1.521 459 H HN 0.497 nan 8.280 nan 0.000 0.509 460 T N 2.956 117.650 114.554 0.233 0.000 2.765 460 T HA 0.003 4.353 4.350 -0.000 0.000 0.284 460 T C 1.471 176.260 174.700 0.147 0.000 0.946 460 T CA 0.029 62.226 62.100 0.163 0.000 1.185 460 T CB 0.096 69.026 68.868 0.104 0.000 0.887 460 T HN 0.547 nan 8.240 nan 0.000 0.532 461 V N 1.581 121.602 119.914 0.179 0.000 3.621 461 V HA 0.557 4.677 4.120 -0.000 0.000 0.263 461 V C 0.004 176.217 176.094 0.198 0.000 1.272 461 V CA 0.003 62.404 62.300 0.168 0.000 1.080 461 V CB -0.208 31.745 31.823 0.215 0.000 0.816 461 V HN 0.611 nan 8.190 nan 0.000 0.451 462 F N 1.310 121.277 119.950 0.028 0.000 2.573 462 F HA 0.769 5.296 4.527 -0.000 0.000 0.316 462 F C -0.724 175.081 175.800 0.009 0.000 1.148 462 F CA -0.900 57.102 58.000 0.004 0.000 0.940 462 F CB 1.801 40.796 39.000 -0.008 0.000 1.214 462 F HN 0.002 nan 8.300 nan 0.000 0.448 463 K N 5.022 125.073 120.400 -0.581 0.000 2.589 463 K HA 0.290 4.609 4.320 -0.000 0.000 0.253 463 K C -1.035 175.263 176.600 -0.504 0.000 0.974 463 K CA -0.578 55.485 56.287 -0.373 0.000 0.835 463 K CB 0.921 33.328 32.500 -0.156 0.000 1.272 463 K HN 0.732 nan 8.250 nan 0.000 0.444 464 N N 2.825 121.284 118.700 -0.401 0.000 2.688 464 N HA -0.202 4.537 4.740 -0.000 0.000 0.258 464 N C 0.373 175.704 175.510 -0.299 0.000 1.016 464 N CA 1.482 54.342 53.050 -0.317 0.000 0.747 464 N CB -1.054 37.277 38.487 -0.260 0.000 0.895 464 N HN 1.132 nan 8.380 nan 0.000 0.543 465 G N -0.851 107.647 108.800 -0.502 0.000 2.212 465 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 465 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 465 G C -0.101 174.545 174.900 -0.424 0.000 1.002 465 G CA 0.962 45.845 45.100 -0.361 0.000 0.729 465 G HN 0.450 nan 8.290 nan 0.000 0.517 466 K N 0.121 120.154 120.400 -0.612 0.000 2.507 466 K HA 0.457 4.777 4.320 -0.000 0.000 0.252 466 K C 0.141 176.570 176.600 -0.284 0.000 0.943 466 K CA -0.823 55.282 56.287 -0.303 0.000 0.808 466 K CB 2.209 34.623 32.500 -0.145 0.000 1.142 466 K HN 0.075 nan 8.250 nan 0.000 0.426 467 V N 3.642 123.500 119.914 -0.093 0.000 2.420 467 V HA -0.067 4.053 4.120 -0.000 0.000 0.274 467 V C 1.718 177.779 176.094 -0.055 0.000 1.003 467 V CA 0.699 62.996 62.300 -0.005 0.000 1.092 467 V CB -0.473 31.366 31.823 0.026 0.000 1.002 467 V HN 0.854 nan 8.190 nan 0.000 0.473 468 T N 1.174 115.695 114.554 -0.056 0.000 3.113 468 T HA 0.129 4.479 4.350 -0.000 0.000 0.256 468 T C 0.473 175.128 174.700 -0.076 0.000 1.131 468 T CA 0.135 62.196 62.100 -0.065 0.000 1.074 468 T CB 0.176 69.011 68.868 -0.055 0.000 0.944 468 T HN 0.580 nan 8.240 nan 0.000 0.516 469 K N 0.816 121.168 120.400 -0.079 0.000 2.594 469 K HA 0.356 4.676 4.320 -0.000 0.000 0.262 469 K C -1.739 174.733 176.600 -0.213 0.000 0.954 469 K CA -0.280 55.904 56.287 -0.172 0.000 0.917 469 K CB 1.674 34.061 32.500 -0.188 0.000 1.343 469 K HN 0.259 nan 8.250 nan 0.000 0.428 470 S N 2.222 117.725 115.700 -0.327 0.000 2.595 470 S HA 0.698 5.167 4.470 -0.000 0.000 0.281 470 S C -1.385 172.948 174.600 -0.444 0.000 1.117 470 S CA -0.695 57.336 58.200 -0.283 0.000 0.873 470 S CB 1.045 64.172 63.200 -0.121 0.000 1.108 470 S HN 0.412 nan 8.310 nan 0.000 0.477 471 Y N 0.972 121.345 120.300 0.122 0.000 2.509 471 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 471 Y C 0.859 176.897 175.900 0.230 0.000 1.038 471 Y CA -0.753 57.450 58.100 0.171 0.000 1.089 471 Y CB 1.870 40.462 38.460 0.220 0.000 1.241 471 Y HN 0.913 nan 8.280 nan 0.000 0.468 472 S N 0.759 116.665 115.700 0.343 0.000 2.610 472 S HA 0.187 4.657 4.470 -0.000 0.000 0.273 472 S C 0.447 175.292 174.600 0.408 0.000 1.274 472 S CA -0.595 57.806 58.200 0.335 0.000 1.023 472 S CB 0.485 63.814 63.200 0.214 0.000 0.962 472 S HN 0.668 nan 8.310 nan 0.000 0.523 473 F N 1.512 121.634 119.950 0.286 0.000 2.449 473 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 473 F C 0.993 176.823 175.800 0.050 0.000 1.092 473 F CA 1.151 59.235 58.000 0.140 0.000 1.446 473 F CB -0.516 38.529 39.000 0.075 0.000 1.084 473 F HN 0.673 nan 8.300 nan 0.000 0.567 474 D N -0.634 119.837 120.400 0.117 0.000 2.213 474 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 474 D C 1.977 178.262 176.300 -0.025 0.000 0.961 474 D CA 1.081 55.094 54.000 0.022 0.000 0.853 474 D CB -0.191 40.658 40.800 0.082 0.000 0.967 474 D HN 0.402 nan 8.370 nan 0.000 0.496 475 E N 0.404 120.633 120.200 0.048 0.000 2.112 475 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 475 E C 2.104 178.684 176.600 -0.033 0.000 0.979 475 E CA 0.451 56.889 56.400 0.064 0.000 0.814 475 E CB 0.115 29.940 29.700 0.208 0.000 0.762 475 E HN 0.092 nan 8.360 nan 0.000 0.460 476 V N 1.961 121.818 119.914 -0.096 0.000 2.392 476 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 476 V C 2.325 178.198 176.094 -0.370 0.000 1.059 476 V CA 1.592 63.744 62.300 -0.247 0.000 1.051 476 V CB -0.528 31.044 31.823 -0.419 0.000 0.658 476 V HN 0.221 nan 8.190 nan 0.000 0.455 477 R N 0.381 120.613 120.500 -0.447 0.000 2.088 477 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 477 R C 2.357 178.524 176.300 -0.223 0.000 1.136 477 R CA 1.797 57.668 56.100 -0.381 0.000 0.926 477 R CB -0.710 29.396 30.300 -0.324 0.000 0.837 477 R HN 0.347 nan 8.270 nan 0.000 0.429 478 K N 1.213 121.526 120.400 -0.144 0.000 2.089 478 K HA -0.162 4.157 4.320 -0.000 0.000 0.210 478 K C 1.681 178.236 176.600 -0.076 0.000 1.048 478 K CA 1.714 57.950 56.287 -0.084 0.000 0.926 478 K CB -0.279 32.199 32.500 -0.036 0.000 0.714 478 K HN 0.126 nan 8.250 nan 0.000 0.448 479 N N 0.071 118.720 118.700 -0.084 0.000 2.106 479 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 479 N C 1.456 176.921 175.510 -0.075 0.000 1.029 479 N CA 1.631 54.644 53.050 -0.062 0.000 0.848 479 N CB -0.582 37.864 38.487 -0.068 0.000 1.007 479 N HN 0.318 nan 8.380 nan 0.000 0.423 480 A N 0.546 123.286 122.820 -0.132 0.000 2.239 480 A HA -0.035 4.284 4.320 -0.000 0.000 0.209 480 A C 1.053 178.555 177.584 -0.137 0.000 1.171 480 A CA 0.081 52.034 52.037 -0.140 0.000 0.768 480 A CB -0.353 18.518 19.000 -0.214 0.000 0.790 480 A HN 0.232 nan 8.150 nan 0.000 0.478 481 Q N 0.416 120.139 119.800 -0.130 0.000 2.394 481 Q HA 0.170 4.510 4.340 -0.000 0.000 0.303 481 Q C 0.048 175.992 176.000 -0.093 0.000 1.117 481 Q CA 0.689 56.419 55.803 -0.122 0.000 0.966 481 Q CB 0.067 28.750 28.738 -0.093 0.000 1.275 481 Q HN 0.516 nan 8.270 nan 0.000 0.429 482 L N 2.421 123.584 121.223 -0.101 0.000 2.600 482 L HA 0.319 4.659 4.340 -0.000 0.000 0.221 482 L C 0.906 177.749 176.870 -0.046 0.000 1.197 482 L CA -0.736 54.060 54.840 -0.074 0.000 0.838 482 L CB 0.062 42.067 42.059 -0.091 0.000 1.474 482 L HN 0.900 nan 8.230 nan 0.000 0.514 483 N N 0.000 118.681 118.700 -0.032 0.000 1.763 483 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 483 N CA 0.000 53.038 53.050 -0.019 0.000 0.885 483 N CB 0.000 38.473 38.487 -0.024 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667