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 3io1_1_B DATA FIRST_RESID 2 DATA SEQUENCE LQLDEYLRQL APSXTQWRRD FHLHAESGWL EFRTASKVAD ILDGLGYQLA DATA SEQUENCE LGRDVIDADS RXGLPDEETL ARAFERAREQ GAPERWLPAF EGGFAGVVAT DATA SEQUENCE LDTGRPGPTL AFRVDXDALD LXXXXXXXXX XXXXXXXXXX XXXXXXXXXD DATA SEQUENCE GHTAIGLGLA HVLKQYAAQL NGVIKLIFQP AEEGTRGARA XVAAGVVDDV DATA SEQUENCE DYFTAIHIGT GVPAGTVVCG GDNFXATTKF DVQFSGVAAH AGGKPEDGRN DATA SEQUENCE ALLAAAQAAL GLHAIPPHSA GASRVNVGVX QAGTGRNVVP SSALLKVETR DATA SEQUENCE GESEAINQYV FERAQHVVAG AAAXYEARYE LRXXGAATAS APSPAWVDYL DATA SEQUENCE REQAARVPGV QQAVDRIAAP AGSEDATLXX ARVQARGGLA SYXIFGTXXX DATA SEQUENCE XXXXXXXXXX XESVXAVAVE TLARVALNFP WQRGV 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.983 176.870 0.188 0.000 1.165 2 L CA 0.000 54.939 54.840 0.165 0.000 0.813 2 L CB 0.000 42.219 42.059 0.266 0.000 0.961 3 Q N 0.094 120.004 119.800 0.183 0.000 2.350 3 Q HA 0.222 4.562 4.340 -0.000 0.000 0.225 3 Q C 0.446 176.508 176.000 0.104 0.000 0.878 3 Q CA 0.689 56.581 55.803 0.148 0.000 0.935 3 Q CB 1.430 30.212 28.738 0.073 0.000 1.099 3 Q HN 0.583 nan 8.270 nan 0.000 0.527 4 L N -1.977 119.366 121.223 0.199 0.000 1.364 4 L HA -0.136 4.204 4.340 -0.000 0.000 0.296 4 L C 0.681 177.657 176.870 0.176 0.000 1.340 4 L CA 1.653 56.584 54.840 0.151 0.000 1.805 4 L CB -0.880 41.086 42.059 -0.155 0.000 1.974 4 L HN -0.039 nan 8.230 nan 0.000 0.516 5 D N 0.351 120.805 120.400 0.090 0.000 2.144 5 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 5 D C 1.698 178.048 176.300 0.083 0.000 0.984 5 D CA 1.840 55.880 54.000 0.067 0.000 0.834 5 D CB 0.238 41.059 40.800 0.034 0.000 0.955 5 D HN 0.710 nan 8.370 nan 0.000 0.465 6 E N -0.947 119.320 120.200 0.112 0.000 2.046 6 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 6 E C 1.755 178.436 176.600 0.134 0.000 0.982 6 E CA 0.558 57.020 56.400 0.104 0.000 0.800 6 E CB -0.236 29.532 29.700 0.113 0.000 0.756 6 E HN 0.364 nan 8.360 nan 0.000 0.449 7 Y N 1.726 122.082 120.300 0.092 0.000 2.151 7 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 7 Y C 1.910 177.852 175.900 0.069 0.000 1.166 7 Y CA 1.421 59.582 58.100 0.101 0.000 1.163 7 Y CB -0.194 38.386 38.460 0.200 0.000 0.974 7 Y HN -0.030 nan 8.280 nan 0.000 0.511 8 L N -0.678 120.583 121.223 0.065 0.000 2.093 8 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 8 L C 2.548 179.356 176.870 -0.103 0.000 1.085 8 L CA 1.417 56.233 54.840 -0.040 0.000 0.755 8 L CB -0.470 41.609 42.059 0.033 0.000 0.904 8 L HN 0.102 nan 8.230 nan 0.000 0.435 9 R N -0.464 119.998 120.500 -0.063 0.000 2.193 9 R HA -0.110 4.230 4.340 -0.000 0.000 0.213 9 R C 2.023 178.254 176.300 -0.114 0.000 1.055 9 R CA 0.543 56.598 56.100 -0.075 0.000 0.995 9 R CB 0.042 30.320 30.300 -0.038 0.000 0.893 9 R HN 0.370 nan 8.270 nan 0.000 0.459 10 Q N 0.314 120.030 119.800 -0.140 0.000 2.403 10 Q HA 0.003 4.343 4.340 -0.000 0.000 0.203 10 Q C 1.308 177.135 176.000 -0.287 0.000 0.932 10 Q CA 0.259 55.962 55.803 -0.167 0.000 0.945 10 Q CB 0.468 29.145 28.738 -0.101 0.000 1.045 10 Q HN 0.216 nan 8.270 nan 0.000 0.511 11 L N -1.295 119.718 121.223 -0.350 0.000 2.577 11 L HA 0.378 4.718 4.340 -0.000 0.000 0.225 11 L C 1.958 178.629 176.870 -0.333 0.000 1.053 11 L CA 0.991 55.582 54.840 -0.414 0.000 0.866 11 L CB -0.086 41.670 42.059 -0.505 0.000 1.132 11 L HN 0.123 nan 8.230 nan 0.000 0.486 12 A N 1.538 124.213 122.820 -0.242 0.000 1.940 12 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 12 A C -0.106 177.327 177.584 -0.250 0.000 1.190 12 A CA 2.353 54.268 52.037 -0.204 0.000 0.647 12 A CB -2.201 16.712 19.000 -0.145 0.000 0.821 12 A HN 0.497 nan 8.150 nan 0.000 0.457 13 P HA -0.064 nan 4.420 nan 0.000 0.213 13 P C 0.934 177.983 177.300 -0.417 0.000 1.170 13 P CA 1.213 64.148 63.100 -0.275 0.000 0.898 13 P CB -0.479 31.085 31.700 -0.228 0.000 0.787 17 Q N 0.004 119.603 119.800 -0.336 0.000 2.084 17 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 17 Q C 1.579 177.428 176.000 -0.252 0.000 0.978 17 Q CA 2.048 57.656 55.803 -0.325 0.000 0.844 17 Q CB -0.127 28.336 28.738 -0.458 0.000 0.898 17 Q HN 0.686 nan 8.270 nan 0.000 0.426 18 W N 0.947 122.123 121.300 -0.207 0.000 2.388 18 W HA -0.046 4.614 4.660 -0.000 0.000 0.294 18 W C 2.368 178.652 176.519 -0.391 0.000 1.212 18 W CA 0.638 57.734 57.345 -0.414 0.000 1.271 18 W CB -0.848 28.514 29.460 -0.163 0.000 1.126 18 W HN 0.299 nan 8.180 nan 0.000 0.535 19 R N 1.131 121.701 120.500 0.116 0.000 2.073 19 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 19 R C 2.149 178.495 176.300 0.077 0.000 1.134 19 R CA 1.219 57.406 56.100 0.145 0.000 0.952 19 R CB -0.405 29.942 30.300 0.078 0.000 0.850 19 R HN 0.021 nan 8.270 nan 0.000 0.433 20 R N 0.783 121.279 120.500 -0.005 0.000 2.091 20 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 20 R C 2.015 178.317 176.300 0.003 0.000 1.136 20 R CA 1.809 57.910 56.100 0.003 0.000 0.959 20 R CB -0.894 29.379 30.300 -0.046 0.000 0.856 20 R HN 0.401 nan 8.270 nan 0.000 0.437 21 D N 0.004 120.352 120.400 -0.086 0.000 2.084 21 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 21 D C 1.709 178.014 176.300 0.009 0.000 0.990 21 D CA 1.209 55.152 54.000 -0.096 0.000 0.826 21 D CB -0.104 40.557 40.800 -0.231 0.000 0.971 21 D HN 0.054 nan 8.370 nan 0.000 0.453 22 F N -0.336 119.711 119.950 0.162 0.000 2.234 22 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 22 F C 2.374 178.237 175.800 0.105 0.000 1.087 22 F CA 1.011 59.089 58.000 0.130 0.000 1.340 22 F CB -1.194 37.871 39.000 0.108 0.000 1.031 22 F HN 0.202 nan 8.300 nan 0.000 0.500 23 H N -0.003 119.161 119.070 0.157 0.000 2.326 23 H HA -0.121 4.435 4.556 -0.000 0.000 0.301 23 H C 2.156 177.488 175.328 0.006 0.000 1.081 23 H CA 1.651 57.738 56.048 0.065 0.000 1.334 23 H CB -0.499 29.276 29.762 0.023 0.000 1.385 23 H HN 0.121 nan 8.280 nan 0.000 0.504 24 L N 0.309 121.477 121.223 -0.092 0.000 2.012 24 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 24 L C 0.682 177.348 176.870 -0.341 0.000 1.073 24 L CA 1.885 56.551 54.840 -0.291 0.000 0.748 24 L CB -0.694 41.144 42.059 -0.369 0.000 0.891 24 L HN 0.428 nan 8.230 nan 0.000 0.431 25 H N 0.402 119.485 119.070 0.022 0.000 2.540 25 H HA 0.495 5.051 4.556 -0.000 0.000 0.264 25 H C 0.398 175.759 175.328 0.054 0.000 1.427 25 H CA 0.005 56.079 56.048 0.043 0.000 1.103 25 H CB -0.667 29.144 29.762 0.082 0.000 1.572 25 H HN 0.392 nan 8.280 nan 0.000 0.511 26 A N 1.301 124.157 122.820 0.060 0.000 2.483 26 A HA 0.206 4.526 4.320 -0.000 0.000 0.238 26 A C 0.339 177.941 177.584 0.030 0.000 1.070 26 A CA 0.120 52.176 52.037 0.031 0.000 0.770 26 A CB 0.562 19.532 19.000 -0.051 0.000 1.008 26 A HN 0.567 nan 8.150 nan 0.000 0.497 27 E N 0.740 120.938 120.200 -0.003 0.000 2.314 27 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 27 E C -0.792 175.768 176.600 -0.067 0.000 0.884 27 E CA -0.629 55.753 56.400 -0.031 0.000 0.753 27 E CB 2.087 31.749 29.700 -0.063 0.000 1.213 27 E HN 0.603 nan 8.360 nan 0.000 0.432 28 S N 0.449 116.116 115.700 -0.055 0.000 2.624 28 S HA 0.328 4.798 4.470 -0.000 0.000 0.263 28 S C 0.416 174.945 174.600 -0.119 0.000 1.287 28 S CA -0.486 57.675 58.200 -0.063 0.000 0.990 28 S CB 0.861 64.050 63.200 -0.018 0.000 0.950 28 S HN 0.624 nan 8.310 nan 0.000 0.561 29 G N -0.564 108.151 108.800 -0.142 0.000 2.265 29 G HA2 0.096 4.056 3.960 -0.000 0.000 0.240 29 G HA3 0.096 4.056 3.960 -0.000 0.000 0.240 29 G C -0.161 174.631 174.900 -0.180 0.000 1.270 29 G CA -0.109 44.821 45.100 -0.283 0.000 0.901 29 G HN 0.972 nan 8.290 nan 0.000 0.507 30 W N -0.400 120.801 121.300 -0.165 0.000 2.062 30 W HA -0.208 4.452 4.660 -0.000 0.000 0.257 30 W C 0.971 177.274 176.519 -0.361 0.000 1.024 30 W CA 0.078 57.302 57.345 -0.202 0.000 0.471 30 W CB -1.426 27.958 29.460 -0.126 0.000 2.039 30 W HN 0.485 nan 8.180 nan 0.000 1.321 31 L N -0.048 121.005 121.223 -0.283 0.000 3.202 31 L HA 0.223 4.563 4.340 -0.000 0.000 0.278 31 L C 0.649 177.056 176.870 -0.771 0.000 1.268 31 L CA -0.297 54.153 54.840 -0.650 0.000 1.034 31 L CB -0.021 41.954 42.059 -0.141 0.000 1.407 31 L HN -0.182 nan 8.230 nan 0.000 0.581 32 E N 0.112 119.919 120.200 -0.655 0.000 2.424 32 E HA 0.058 4.408 4.350 -0.000 0.000 0.237 32 E C 0.826 177.195 176.600 -0.386 0.000 1.381 32 E CA 0.000 56.147 56.400 -0.422 0.000 1.587 32 E CB -0.296 29.200 29.700 -0.340 0.000 1.398 32 E HN 0.239 nan 8.360 nan 0.000 0.439 33 F N 0.337 120.287 119.950 -0.000 0.000 2.069 33 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 33 F C 2.410 178.184 175.800 -0.043 0.000 1.113 33 F CA 1.205 59.222 58.000 0.030 0.000 1.214 33 F CB -0.455 38.637 39.000 0.154 0.000 0.978 33 F HN 0.171 nan 8.300 nan 0.000 0.474 34 R N 0.060 120.644 120.500 0.140 0.000 2.075 34 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 34 R C 2.059 178.378 176.300 0.032 0.000 1.126 34 R CA 1.911 58.057 56.100 0.076 0.000 0.963 34 R CB -0.516 29.813 30.300 0.047 0.000 0.858 34 R HN 0.253 nan 8.270 nan 0.000 0.435 35 T N 0.716 115.243 114.554 -0.046 0.000 2.674 35 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 35 T C 1.867 176.386 174.700 -0.301 0.000 1.039 35 T CA 1.457 63.455 62.100 -0.170 0.000 1.150 35 T CB -0.388 68.282 68.868 -0.329 0.000 0.864 35 T HN 0.448 nan 8.240 nan 0.000 0.427 36 A N 1.465 124.031 122.820 -0.423 0.000 1.908 36 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 36 A C 2.621 179.951 177.584 -0.422 0.000 1.181 36 A CA 2.118 53.750 52.037 -0.676 0.000 0.627 36 A CB -0.970 17.192 19.000 -1.396 0.000 0.818 36 A HN 0.445 nan 8.150 nan 0.000 0.445 37 S N -0.128 115.505 115.700 -0.113 0.000 2.348 37 S HA -0.150 4.320 4.470 -0.000 0.000 0.221 37 S C 2.082 176.691 174.600 0.016 0.000 1.033 37 S CA 1.465 59.803 58.200 0.229 0.000 1.010 37 S CB -0.230 63.159 63.200 0.316 0.000 0.891 37 S HN 0.496 nan 8.310 nan 0.000 0.442 38 K N 1.157 121.563 120.400 0.011 0.000 2.009 38 K HA -0.020 4.300 4.320 -0.000 0.000 0.210 38 K C 2.192 178.696 176.600 -0.161 0.000 1.049 38 K CA 0.905 57.200 56.287 0.014 0.000 0.929 38 K CB -1.224 31.397 32.500 0.201 0.000 0.714 38 K HN 0.260 nan 8.250 nan 0.000 0.440 39 V N 1.714 121.455 119.914 -0.287 0.000 2.282 39 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 39 V C 2.512 178.249 176.094 -0.595 0.000 1.057 39 V CA 2.139 64.112 62.300 -0.545 0.000 1.032 39 V CB -0.857 30.440 31.823 -0.877 0.000 0.645 39 V HN 0.349 nan 8.190 nan 0.000 0.447 40 A N -0.183 122.294 122.820 -0.571 0.000 1.902 40 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 40 A C 2.052 179.003 177.584 -1.054 0.000 1.181 40 A CA 2.233 53.794 52.037 -0.794 0.000 0.623 40 A CB -0.758 17.786 19.000 -0.760 0.000 0.818 40 A HN 0.606 nan 8.150 nan 0.000 0.443 41 D N -0.286 119.582 120.400 -0.887 0.000 2.104 41 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 41 D C 1.747 177.933 176.300 -0.191 0.000 0.994 41 D CA 1.437 55.195 54.000 -0.404 0.000 0.830 41 D CB -0.111 40.703 40.800 0.024 0.000 0.959 41 D HN 0.279 nan 8.370 nan 0.000 0.452 42 I N 0.448 120.887 120.570 -0.219 0.000 2.179 42 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 42 I C 2.502 178.508 176.117 -0.185 0.000 1.088 42 I CA 0.878 62.086 61.300 -0.153 0.000 1.357 42 I CB -1.182 36.668 38.000 -0.250 0.000 1.051 42 I HN 0.212 nan 8.210 nan 0.000 0.409 43 L N 0.319 121.356 121.223 -0.310 0.000 2.093 43 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 43 L C 2.286 179.130 176.870 -0.043 0.000 1.085 43 L CA 1.671 56.364 54.840 -0.246 0.000 0.755 43 L CB -0.655 41.153 42.059 -0.420 0.000 0.904 43 L HN 0.257 nan 8.230 nan 0.000 0.435 44 D N 0.196 120.510 120.400 -0.144 0.000 2.117 44 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 44 D C 2.172 178.521 176.300 0.082 0.000 0.987 44 D CA 1.419 55.419 54.000 -0.001 0.000 0.829 44 D CB -0.077 40.745 40.800 0.036 0.000 0.961 44 D HN 0.192 nan 8.370 nan 0.000 0.460 45 G N 0.258 109.098 108.800 0.066 0.000 2.442 45 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 45 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 45 G C 1.635 176.583 174.900 0.079 0.000 1.141 45 G CA 0.523 45.677 45.100 0.091 0.000 0.763 45 G HN 0.378 nan 8.290 nan 0.000 0.554 46 L N 0.291 121.560 121.223 0.077 0.000 2.551 46 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 46 L C 1.996 178.877 176.870 0.019 0.000 1.153 46 L CA 0.545 55.432 54.840 0.078 0.000 0.851 46 L CB -0.110 42.040 42.059 0.152 0.000 0.959 46 L HN 0.429 nan 8.230 nan 0.000 0.451 47 G N -1.337 107.487 108.800 0.040 0.000 2.130 47 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 47 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 47 G C -0.127 174.723 174.900 -0.083 0.000 0.999 47 G CA -0.566 44.517 45.100 -0.029 0.000 0.686 47 G HN 0.224 nan 8.290 nan 0.000 0.515 48 Y N 0.819 121.103 120.300 -0.026 0.000 2.309 48 Y HA 0.488 5.038 4.550 0.000 0.000 0.327 48 Y C 1.056 176.954 175.900 -0.003 0.000 1.172 48 Y CA -0.305 57.784 58.100 -0.019 0.000 1.280 48 Y CB 0.793 39.228 38.460 -0.042 0.000 1.234 48 Y HN 0.120 nan 8.280 nan 0.000 0.512 49 Q N 3.565 123.459 119.800 0.157 0.000 2.288 49 Q HA 0.388 4.728 4.340 -0.000 0.000 0.254 49 Q C -1.022 175.056 176.000 0.129 0.000 0.932 49 Q CA -0.146 55.727 55.803 0.116 0.000 0.902 49 Q CB 1.293 30.082 28.738 0.085 0.000 1.203 49 Q HN 0.617 nan 8.270 nan 0.000 0.415 50 L N 0.973 122.259 121.223 0.104 0.000 2.365 50 L HA 0.743 5.083 4.340 -0.000 0.000 0.273 50 L C -0.414 176.514 176.870 0.096 0.000 1.000 50 L CA -1.106 53.784 54.840 0.083 0.000 0.819 50 L CB 1.972 44.045 42.059 0.023 0.000 1.284 50 L HN 0.528 nan 8.230 nan 0.000 0.418 51 A N 4.652 127.531 122.820 0.098 0.000 2.303 51 A HA 0.881 5.201 4.320 -0.000 0.000 0.320 51 A C -0.771 176.889 177.584 0.127 0.000 1.192 51 A CA -0.393 51.704 52.037 0.101 0.000 0.821 51 A CB 0.832 19.890 19.000 0.097 0.000 1.188 51 A HN 0.653 nan 8.150 nan 0.000 0.492 52 L N 2.057 123.354 121.223 0.123 0.000 2.333 52 L HA 0.752 5.092 4.340 -0.000 0.000 0.263 52 L C 1.416 178.383 176.870 0.162 0.000 1.014 52 L CA -0.329 54.614 54.840 0.173 0.000 0.820 52 L CB 1.516 43.626 42.059 0.084 0.000 1.352 52 L HN 1.081 nan 8.230 nan 0.000 0.421 53 G N 0.923 109.915 108.800 0.320 0.000 2.700 53 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.350 53 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.350 53 G C 1.032 176.072 174.900 0.233 0.000 1.250 53 G CA 1.205 46.520 45.100 0.359 0.000 0.978 53 G HN 0.776 nan 8.290 nan 0.000 0.551 54 R N 0.567 121.024 120.500 -0.070 0.000 2.154 54 R HA -0.078 4.262 4.340 -0.000 0.000 0.248 54 R C 2.097 178.394 176.300 -0.005 0.000 1.155 54 R CA 1.697 57.679 56.100 -0.196 0.000 0.979 54 R CB -0.358 29.665 30.300 -0.460 0.000 0.869 54 R HN 0.564 nan 8.270 nan 0.000 0.452 55 D N -0.311 120.102 120.400 0.021 0.000 2.348 55 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 55 D C 1.392 177.745 176.300 0.090 0.000 0.970 55 D CA 1.112 55.139 54.000 0.044 0.000 0.889 55 D CB 0.401 41.224 40.800 0.040 0.000 0.912 55 D HN 0.296 nan 8.370 nan 0.000 0.524 56 V N -2.598 117.401 119.914 0.141 0.000 3.337 56 V HA 0.367 4.487 4.120 -0.000 0.000 0.307 56 V C 0.266 176.481 176.094 0.201 0.000 1.505 56 V CA -0.395 62.000 62.300 0.157 0.000 1.072 56 V CB 0.147 32.069 31.823 0.165 0.000 0.929 56 V HN -0.116 nan 8.190 nan 0.000 0.455 57 I N 1.881 122.607 120.570 0.259 0.000 2.517 57 I HA 0.399 4.569 4.170 -0.000 0.000 0.280 57 I C -0.949 175.360 176.117 0.321 0.000 1.061 57 I CA -0.376 61.119 61.300 0.326 0.000 1.091 57 I CB 1.700 39.995 38.000 0.492 0.000 1.205 57 I HN 0.063 nan 8.210 nan 0.000 0.459 58 D N 4.751 125.277 120.400 0.209 0.000 2.401 58 D HA 0.226 4.866 4.640 -0.000 0.000 0.254 58 D C 1.212 177.623 176.300 0.185 0.000 1.192 58 D CA 0.371 54.471 54.000 0.167 0.000 0.885 58 D CB 1.573 42.432 40.800 0.099 0.000 1.147 58 D HN 0.617 nan 8.370 nan 0.000 0.478 59 A N 4.464 127.436 122.820 0.254 0.000 1.859 59 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 59 A C 1.794 179.394 177.584 0.028 0.000 1.198 59 A CA 1.794 53.963 52.037 0.220 0.000 0.629 59 A CB -0.498 18.681 19.000 0.298 0.000 0.830 59 A HN 0.746 nan 8.150 nan 0.000 0.446 60 D N 0.054 120.475 120.400 0.035 0.000 2.218 60 D HA -0.063 4.577 4.640 -0.000 0.000 0.204 60 D C 1.851 178.143 176.300 -0.013 0.000 0.976 60 D CA 1.430 55.429 54.000 -0.002 0.000 0.853 60 D CB -0.363 40.441 40.800 0.007 0.000 0.939 60 D HN 0.418 nan 8.370 nan 0.000 0.481 61 S N 0.203 115.909 115.700 0.009 0.000 2.603 61 S HA 0.047 4.517 4.470 -0.000 0.000 0.220 61 S C 1.017 175.630 174.600 0.022 0.000 0.967 61 S CA -0.080 58.132 58.200 0.019 0.000 0.920 61 S CB 0.506 63.733 63.200 0.045 0.000 0.773 61 S HN 0.218 nan 8.310 nan 0.000 0.529 65 L N 1.607 122.789 121.223 -0.068 0.000 2.371 65 L HA 0.734 5.074 4.340 -0.000 0.000 0.272 65 L C -1.875 174.950 176.870 -0.074 0.000 1.124 65 L CA -1.458 53.218 54.840 -0.274 0.000 0.816 65 L CB 0.504 42.248 42.059 -0.525 0.000 1.129 65 L HN -0.006 nan 8.230 nan 0.000 0.448 66 P HA 0.241 nan 4.420 nan 0.000 0.274 66 P C -1.572 175.730 177.300 0.002 0.000 1.246 66 P CA -0.479 62.643 63.100 0.037 0.000 0.795 66 P CB 0.357 32.114 31.700 0.095 0.000 1.006 67 D N -0.669 119.742 120.400 0.018 0.000 2.361 67 D HA -0.015 4.625 4.640 -0.000 0.000 0.239 67 D C 0.847 177.158 176.300 0.019 0.000 1.200 67 D CA -0.197 53.807 54.000 0.008 0.000 0.915 67 D CB 0.311 41.120 40.800 0.014 0.000 1.170 67 D HN 0.361 nan 8.370 nan 0.000 0.444 68 E N -0.172 120.032 120.200 0.007 0.000 2.086 68 E HA -0.334 4.016 4.350 -0.000 0.000 0.205 68 E C 1.631 178.249 176.600 0.029 0.000 1.027 68 E CA 1.863 58.270 56.400 0.011 0.000 0.830 68 E CB -0.046 29.653 29.700 -0.001 0.000 0.751 68 E HN 0.748 nan 8.360 nan 0.000 0.456 69 E N -0.318 119.900 120.200 0.031 0.000 2.085 69 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 69 E C 1.881 178.520 176.600 0.066 0.000 0.994 69 E CA 1.734 58.158 56.400 0.041 0.000 0.801 69 E CB 0.080 29.801 29.700 0.035 0.000 0.743 69 E HN 0.190 nan 8.360 nan 0.000 0.453 70 T N 1.081 115.679 114.554 0.074 0.000 2.821 70 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 70 T C 1.864 176.661 174.700 0.162 0.000 1.046 70 T CA 0.804 62.967 62.100 0.105 0.000 1.139 70 T CB -0.090 68.834 68.868 0.094 0.000 0.871 70 T HN 0.136 nan 8.240 nan 0.000 0.454 71 L N 0.753 122.070 121.223 0.157 0.000 2.027 71 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 71 L C 3.073 180.059 176.870 0.193 0.000 1.074 71 L CA 1.293 56.279 54.840 0.243 0.000 0.745 71 L CB -0.675 41.481 42.059 0.163 0.000 0.898 71 L HN 0.234 nan 8.230 nan 0.000 0.433 72 A N 0.044 122.921 122.820 0.094 0.000 1.902 72 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 72 A C 2.368 180.029 177.584 0.129 0.000 1.181 72 A CA 1.591 53.670 52.037 0.070 0.000 0.623 72 A CB -0.491 18.529 19.000 0.033 0.000 0.818 72 A HN 0.306 nan 8.150 nan 0.000 0.443 73 R N -0.600 119.976 120.500 0.126 0.000 2.073 73 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 73 R C 2.503 178.900 176.300 0.161 0.000 1.134 73 R CA 1.339 57.513 56.100 0.122 0.000 0.952 73 R CB -0.487 29.875 30.300 0.104 0.000 0.850 73 R HN 0.510 nan 8.270 nan 0.000 0.433 74 A N 0.461 123.425 122.820 0.240 0.000 1.933 74 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 74 A C 1.963 179.764 177.584 0.362 0.000 1.175 74 A CA 1.108 53.351 52.037 0.344 0.000 0.628 74 A CB -0.606 18.696 19.000 0.503 0.000 0.814 74 A HN 0.372 nan 8.150 nan 0.000 0.444 75 F N 0.760 120.689 119.950 -0.035 0.000 2.134 75 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 75 F C 2.206 177.931 175.800 -0.125 0.000 1.097 75 F CA 2.138 59.875 58.000 -0.439 0.000 1.264 75 F CB -0.144 38.464 39.000 -0.654 0.000 1.001 75 F HN 0.313 nan 8.300 nan 0.000 0.479 76 E N 0.395 120.624 120.200 0.049 0.000 2.072 76 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 76 E C 2.212 178.793 176.600 -0.032 0.000 0.985 76 E CA 1.125 57.522 56.400 -0.006 0.000 0.801 76 E CB -0.186 29.555 29.700 0.069 0.000 0.750 76 E HN 0.073 nan 8.360 nan 0.000 0.452 77 R N 0.189 120.706 120.500 0.028 0.000 2.081 77 R HA 0.062 4.402 4.340 -0.000 0.000 0.235 77 R C 2.192 178.497 176.300 0.008 0.000 1.131 77 R CA 1.443 57.565 56.100 0.037 0.000 0.960 77 R CB -1.112 29.239 30.300 0.084 0.000 0.856 77 R HN 0.285 nan 8.270 nan 0.000 0.436 78 A N 0.266 123.091 122.820 0.009 0.000 1.933 78 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 78 A C 2.183 179.707 177.584 -0.100 0.000 1.175 78 A CA 1.584 53.614 52.037 -0.011 0.000 0.628 78 A CB -0.466 18.582 19.000 0.079 0.000 0.814 78 A HN 0.278 nan 8.150 nan 0.000 0.444 79 R N 0.082 120.471 120.500 -0.186 0.000 2.073 79 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 79 R C 1.776 178.023 176.300 -0.088 0.000 1.134 79 R CA 1.768 57.766 56.100 -0.170 0.000 0.952 79 R CB -0.288 29.887 30.300 -0.208 0.000 0.850 79 R HN 0.669 nan 8.270 nan 0.000 0.433 80 E N -0.104 120.058 120.200 -0.063 0.000 2.409 80 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 80 E C 1.208 177.787 176.600 -0.035 0.000 1.024 80 E CA 0.597 56.977 56.400 -0.033 0.000 0.861 80 E CB 0.158 29.851 29.700 -0.012 0.000 0.788 80 E HN 0.499 nan 8.360 nan 0.000 0.521 81 Q N -0.609 119.152 119.800 -0.064 0.000 2.220 81 Q HA 0.147 4.487 4.340 -0.000 0.000 0.205 81 Q C 0.592 176.483 176.000 -0.180 0.000 0.865 81 Q CA 0.236 55.965 55.803 -0.122 0.000 0.960 81 Q CB 1.258 29.896 28.738 -0.166 0.000 1.097 81 Q HN 0.368 nan 8.270 nan 0.000 0.493 82 G N 0.509 109.250 108.800 -0.098 0.000 2.163 82 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.213 82 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.213 82 G C 0.216 175.096 174.900 -0.032 0.000 0.991 82 G CA -0.188 44.872 45.100 -0.067 0.000 0.653 82 G HN 0.456 nan 8.290 nan 0.000 0.518 83 A N 0.863 123.663 122.820 -0.033 0.000 2.548 83 A HA 0.559 4.879 4.320 -0.000 0.000 0.247 83 A C -1.421 176.202 177.584 0.066 0.000 1.067 83 A CA -0.322 51.730 52.037 0.027 0.000 0.757 83 A CB -0.060 18.948 19.000 0.014 0.000 0.996 83 A HN 0.161 nan 8.150 nan 0.000 0.504 84 P HA 0.019 nan 4.420 nan 0.000 0.256 84 P C 0.553 177.945 177.300 0.153 0.000 1.189 84 P CA 0.391 63.602 63.100 0.186 0.000 0.808 84 P CB 0.354 32.268 31.700 0.356 0.000 0.793 85 E N 3.128 123.358 120.200 0.051 0.000 2.273 85 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 85 E C 1.839 178.408 176.600 -0.052 0.000 1.002 85 E CA 0.792 57.192 56.400 -0.000 0.000 0.828 85 E CB 0.012 29.698 29.700 -0.022 0.000 0.747 85 E HN 0.280 nan 8.360 nan 0.000 0.491 86 R N -0.876 119.540 120.500 -0.140 0.000 2.148 86 R HA -0.123 4.217 4.340 -0.000 0.000 0.223 86 R C 0.945 176.921 176.300 -0.540 0.000 1.088 86 R CA 1.443 57.293 56.100 -0.416 0.000 0.985 86 R CB 0.033 29.943 30.300 -0.650 0.000 0.880 86 R HN 0.245 nan 8.270 nan 0.000 0.451 87 W N -0.778 120.547 121.300 0.042 0.000 2.842 87 W HA 0.129 4.789 4.660 -0.000 0.000 0.267 87 W C 1.525 178.076 176.519 0.054 0.000 1.219 87 W CA -0.739 56.630 57.345 0.040 0.000 1.458 87 W CB -0.235 29.317 29.460 0.153 0.000 1.006 87 W HN 0.002 nan 8.180 nan 0.000 0.603 88 L N 2.371 123.793 121.223 0.331 0.000 2.021 88 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 88 L C -0.755 176.344 176.870 0.383 0.000 1.074 88 L CA 2.366 57.411 54.840 0.341 0.000 0.760 88 L CB -1.747 40.350 42.059 0.064 0.000 0.889 88 L HN -0.222 nan 8.230 nan 0.000 0.433 89 P HA -0.143 nan 4.420 nan 0.000 0.219 89 P C 1.393 178.708 177.300 0.024 0.000 1.146 89 P CA 1.787 65.006 63.100 0.199 0.000 0.808 89 P CB -0.202 31.540 31.700 0.069 0.000 0.779 90 A N -1.892 120.825 122.820 -0.173 0.000 2.121 90 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 90 A C 1.270 178.663 177.584 -0.318 0.000 1.154 90 A CA 1.133 52.958 52.037 -0.354 0.000 0.679 90 A CB -1.345 17.329 19.000 -0.543 0.000 0.795 90 A HN 0.149 nan 8.150 nan 0.000 0.458 91 F N -0.198 119.960 119.950 0.346 0.000 2.721 91 F HA 0.250 4.777 4.527 -0.000 0.000 0.301 91 F C 0.816 176.917 175.800 0.501 0.000 1.096 91 F CA -0.752 57.539 58.000 0.485 0.000 1.308 91 F CB -0.242 39.116 39.000 0.598 0.000 1.086 91 F HN 0.194 nan 8.300 nan 0.000 0.587 92 E N 0.880 121.251 120.200 0.285 0.000 2.558 92 E HA 0.257 4.607 4.350 -0.000 0.000 0.255 92 E C 1.181 177.807 176.600 0.044 0.000 0.968 92 E CA 1.050 57.252 56.400 -0.331 0.000 0.939 92 E CB 0.035 29.265 29.700 -0.783 0.000 0.921 92 E HN 0.536 nan 8.360 nan 0.000 0.477 93 G N 2.794 111.615 108.800 0.036 0.000 2.148 93 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.203 93 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.203 93 G C 0.633 175.653 174.900 0.200 0.000 0.993 93 G CA -0.063 45.158 45.100 0.201 0.000 0.661 93 G HN 1.432 nan 8.290 nan 0.000 0.518 94 G N -1.335 107.709 108.800 0.407 0.000 2.255 94 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.239 94 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.239 94 G C 0.068 174.880 174.900 -0.147 0.000 1.083 94 G CA 0.324 45.507 45.100 0.137 0.000 0.826 94 G HN 1.233 nan 8.290 nan 0.000 0.493 95 F N 0.152 120.376 119.950 0.456 0.000 2.749 95 F HA 0.595 5.122 4.527 0.000 0.000 0.380 95 F C 1.065 177.189 175.800 0.540 0.000 1.365 95 F CA -0.305 57.950 58.000 0.424 0.000 1.186 95 F CB 0.906 40.089 39.000 0.305 0.000 1.080 95 F HN 0.453 nan 8.300 nan 0.000 0.513 96 A N 1.321 124.425 122.820 0.474 0.000 2.666 96 A HA 0.630 4.950 4.320 -0.000 0.000 0.301 96 A C 0.622 178.220 177.584 0.024 0.000 1.470 96 A CA 0.327 52.413 52.037 0.082 0.000 1.159 96 A CB -0.782 18.080 19.000 -0.230 0.000 1.116 96 A HN 0.503 nan 8.150 nan 0.000 0.548 97 G N -0.128 108.788 108.800 0.194 0.000 2.733 97 G HA2 0.625 4.585 3.960 -0.000 0.000 0.297 97 G HA3 0.625 4.585 3.960 -0.000 0.000 0.297 97 G C -1.345 173.709 174.900 0.258 0.000 1.422 97 G CA 0.056 45.264 45.100 0.179 0.000 0.942 97 G HN 1.704 nan 8.290 nan 0.000 0.510 98 V N 0.505 120.520 119.914 0.169 0.000 2.851 98 V HA 0.790 4.910 4.120 -0.000 0.000 0.307 98 V C -1.545 174.661 176.094 0.187 0.000 1.129 98 V CA -0.673 61.719 62.300 0.153 0.000 0.932 98 V CB 1.858 33.673 31.823 -0.013 0.000 1.024 98 V HN 0.819 nan 8.190 nan 0.000 0.426 99 V N 6.062 126.070 119.914 0.157 0.000 2.407 99 V HA 0.873 4.993 4.120 -0.000 0.000 0.291 99 V C 0.536 176.707 176.094 0.128 0.000 1.018 99 V CA 0.114 62.511 62.300 0.162 0.000 0.842 99 V CB 1.346 33.254 31.823 0.140 0.000 0.996 99 V HN 1.343 nan 8.190 nan 0.000 0.426 100 A N 3.697 126.597 122.820 0.132 0.000 2.292 100 A HA 0.844 5.164 4.320 -0.000 0.000 0.319 100 A C 0.085 177.806 177.584 0.228 0.000 1.206 100 A CA -0.396 51.709 52.037 0.114 0.000 0.835 100 A CB 0.936 19.870 19.000 -0.109 0.000 1.164 100 A HN 0.702 nan 8.150 nan 0.000 0.505 101 T N 2.512 117.239 114.554 0.288 0.000 2.829 101 T HA 0.540 4.890 4.350 -0.000 0.000 0.280 101 T C -0.709 174.135 174.700 0.240 0.000 0.999 101 T CA -0.226 62.025 62.100 0.250 0.000 0.983 101 T CB 1.110 70.064 68.868 0.143 0.000 0.968 101 T HN 0.570 nan 8.240 nan 0.000 0.446 102 L N 3.436 124.766 121.223 0.179 0.000 2.353 102 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 102 L C -1.105 175.773 176.870 0.014 0.000 1.003 102 L CA -0.729 54.107 54.840 -0.007 0.000 0.862 102 L CB 0.837 42.870 42.059 -0.044 0.000 1.221 102 L HN 0.545 nan 8.230 nan 0.000 0.430 103 D N 2.329 122.720 120.400 -0.015 0.000 2.396 103 D HA 0.117 4.757 4.640 -0.000 0.000 0.225 103 D C 1.395 177.672 176.300 -0.038 0.000 1.121 103 D CA -0.064 53.931 54.000 -0.010 0.000 0.853 103 D CB 1.629 42.427 40.800 -0.003 0.000 1.043 103 D HN 0.640 nan 8.370 nan 0.000 0.500 104 T N 1.214 115.742 114.554 -0.043 0.000 2.881 104 T HA 0.050 4.400 4.350 -0.000 0.000 0.270 104 T C 1.686 176.347 174.700 -0.065 0.000 1.068 104 T CA 1.101 63.160 62.100 -0.068 0.000 1.131 104 T CB -0.273 68.534 68.868 -0.103 0.000 0.871 104 T HN 0.714 nan 8.240 nan 0.000 0.479 105 G N 1.236 110.005 108.800 -0.051 0.000 2.258 105 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 105 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 105 G C 0.298 175.170 174.900 -0.047 0.000 1.006 105 G CA -0.070 45.004 45.100 -0.042 0.000 0.620 105 G HN 0.727 nan 8.290 nan 0.000 0.511 106 R N 1.969 122.427 120.500 -0.070 0.000 2.500 106 R HA 0.508 4.848 4.340 -0.000 0.000 0.275 106 R C -2.080 174.181 176.300 -0.064 0.000 1.051 106 R CA -1.316 54.737 56.100 -0.079 0.000 1.088 106 R CB 0.783 31.006 30.300 -0.129 0.000 1.063 106 R HN 0.196 nan 8.270 nan 0.000 0.511 107 P HA 0.171 nan 4.420 nan 0.000 0.271 107 P C -0.367 176.937 177.300 0.007 0.000 1.216 107 P CA 0.047 63.142 63.100 -0.007 0.000 0.776 107 P CB 1.300 33.005 31.700 0.008 0.000 0.881 108 G N 2.467 111.297 108.800 0.050 0.000 2.315 108 G HA2 0.378 4.338 3.960 -0.000 0.000 0.294 108 G HA3 0.378 4.338 3.960 -0.000 0.000 0.294 108 G C -3.321 171.654 174.900 0.125 0.000 1.300 108 G CA -0.810 44.367 45.100 0.128 0.000 0.843 108 G HN 0.477 nan 8.290 nan 0.000 0.527 109 P HA 0.439 nan 4.420 nan 0.000 0.279 109 P C -0.588 176.739 177.300 0.044 0.000 1.252 109 P CA -0.042 63.117 63.100 0.097 0.000 0.811 109 P CB 1.442 33.227 31.700 0.141 0.000 1.035 110 T N 2.561 117.127 114.554 0.019 0.000 2.762 110 T HA 0.320 4.670 4.350 -0.000 0.000 0.303 110 T C -0.001 174.690 174.700 -0.016 0.000 0.977 110 T CA -0.117 61.989 62.100 0.009 0.000 0.961 110 T CB -0.306 68.560 68.868 -0.003 0.000 0.944 110 T HN 0.129 nan 8.240 nan 0.000 0.481 111 L N 3.664 124.878 121.223 -0.015 0.000 2.275 111 L HA 0.687 5.027 4.340 -0.000 0.000 0.288 111 L C 0.332 177.118 176.870 -0.140 0.000 1.046 111 L CA -0.391 54.387 54.840 -0.103 0.000 0.805 111 L CB 0.887 42.902 42.059 -0.073 0.000 1.193 111 L HN 0.693 nan 8.230 nan 0.000 0.426 112 A N 3.878 126.520 122.820 -0.297 0.000 2.342 112 A HA 0.863 5.183 4.320 -0.000 0.000 0.323 112 A C -1.203 175.979 177.584 -0.670 0.000 1.125 112 A CA -0.351 51.533 52.037 -0.254 0.000 0.785 112 A CB 0.610 19.606 19.000 -0.007 0.000 1.221 112 A HN 0.434 nan 8.150 nan 0.000 0.463 113 F N 1.548 121.386 119.950 -0.187 0.000 2.520 113 F HA 0.664 5.191 4.527 -0.000 0.000 0.322 113 F C 0.493 176.074 175.800 -0.365 0.000 1.103 113 F CA -0.559 57.263 58.000 -0.297 0.000 0.926 113 F CB 1.932 40.834 39.000 -0.164 0.000 1.154 113 F HN 0.540 nan 8.300 nan 0.000 0.453 114 R N 2.884 123.204 120.500 -0.301 0.000 2.534 114 R HA 0.812 5.152 4.340 -0.000 0.000 0.301 114 R C -1.864 174.288 176.300 -0.246 0.000 0.961 114 R CA -0.613 55.336 56.100 -0.251 0.000 0.871 114 R CB 1.760 31.968 30.300 -0.153 0.000 1.170 114 R HN 0.647 nan 8.270 nan 0.000 0.446 115 V N -0.024 119.714 119.914 -0.293 0.000 2.962 115 V HA 0.640 4.760 4.120 -0.000 0.000 0.313 115 V C -0.637 175.374 176.094 -0.139 0.000 1.099 115 V CA -1.056 61.099 62.300 -0.242 0.000 0.971 115 V CB 2.097 33.732 31.823 -0.314 0.000 1.028 115 V HN 0.852 nan 8.190 nan 0.000 0.430 119 A N -0.104 122.675 122.820 -0.068 0.000 2.437 119 A HA 0.718 5.038 4.320 -0.000 0.000 0.292 119 A C -0.630 176.937 177.584 -0.030 0.000 1.173 119 A CA -0.912 51.105 52.037 -0.033 0.000 0.785 119 A CB 1.161 20.151 19.000 -0.017 0.000 1.351 119 A HN 0.549 nan 8.150 nan 0.000 0.431 120 L N 0.326 121.544 121.223 -0.009 0.000 2.453 120 L HA 0.241 4.581 4.340 -0.000 0.000 0.261 120 L C 0.328 177.196 176.870 -0.003 0.000 1.179 120 L CA -0.035 54.803 54.840 -0.004 0.000 0.813 120 L CB 1.128 43.193 42.059 0.010 0.000 1.110 120 L HN 1.001 nan 8.230 nan 0.000 0.466 121 D N -0.015 120.385 120.400 0.000 0.000 2.530 121 D HA 0.326 4.966 4.640 -0.000 0.000 0.282 121 D C -0.524 175.782 176.300 0.010 0.000 1.204 121 D CA -0.532 53.471 54.000 0.006 0.000 1.093 121 D CB 0.784 41.590 40.800 0.010 0.000 1.154 121 D HN 0.205 nan 8.370 nan 0.000 0.593 152 G N -0.455 108.141 108.800 -0.340 0.000 3.210 152 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.220 152 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.220 152 G C 0.960 175.880 174.900 0.034 0.000 1.200 152 G CA 0.174 45.236 45.100 -0.062 0.000 0.834 152 G HN 0.443 nan 8.290 nan 0.000 0.524 153 H N -0.404 118.684 119.070 0.031 0.000 2.389 153 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 153 H C 2.683 177.996 175.328 -0.026 0.000 1.081 153 H CA 1.229 57.271 56.048 -0.010 0.000 1.345 153 H CB 0.215 29.969 29.762 -0.014 0.000 1.393 153 H HN 0.271 nan 8.280 nan 0.000 0.520 154 T N 0.727 115.340 114.554 0.099 0.000 2.684 154 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 154 T C 2.422 177.243 174.700 0.202 0.000 1.036 154 T CA 1.147 63.289 62.100 0.071 0.000 1.148 154 T CB -0.430 68.292 68.868 -0.243 0.000 0.863 154 T HN 0.503 nan 8.240 nan 0.000 0.436 155 A N 1.152 124.163 122.820 0.318 0.000 1.883 155 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 155 A C 2.308 180.065 177.584 0.288 0.000 1.186 155 A CA 1.359 53.657 52.037 0.434 0.000 0.624 155 A CB -0.881 18.385 19.000 0.443 0.000 0.822 155 A HN 0.525 nan 8.150 nan 0.000 0.444 156 I N -0.275 120.390 120.570 0.159 0.000 2.151 156 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 156 I C 2.693 178.825 176.117 0.025 0.000 1.080 156 I CA 1.276 62.609 61.300 0.056 0.000 1.339 156 I CB -0.645 37.339 38.000 -0.027 0.000 1.039 156 I HN 0.422 nan 8.210 nan 0.000 0.409 157 G N 0.794 109.586 108.800 -0.013 0.000 2.418 157 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 157 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 157 G C 1.700 176.641 174.900 0.069 0.000 1.158 157 G CA 0.494 45.522 45.100 -0.119 0.000 0.771 157 G HN 0.275 nan 8.290 nan 0.000 0.545 158 L N 0.621 121.928 121.223 0.140 0.000 2.056 158 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 158 L C 3.189 180.195 176.870 0.225 0.000 1.078 158 L CA 0.969 55.810 54.840 0.002 0.000 0.749 158 L CB -0.716 41.061 42.059 -0.470 0.000 0.901 158 L HN 0.329 nan 8.230 nan 0.000 0.433 159 G N 0.402 109.409 108.800 0.346 0.000 2.421 159 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 159 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 159 G C 1.569 176.636 174.900 0.279 0.000 1.171 159 G CA 0.810 46.155 45.100 0.408 0.000 0.775 159 G HN 0.242 nan 8.290 nan 0.000 0.543 160 L N 1.446 122.742 121.223 0.121 0.000 2.127 160 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 160 L C 2.952 179.874 176.870 0.087 0.000 1.089 160 L CA 2.095 56.954 54.840 0.033 0.000 0.757 160 L CB -0.642 41.325 42.059 -0.154 0.000 0.899 160 L HN 0.234 nan 8.230 nan 0.000 0.434 161 A N -1.495 121.369 122.820 0.074 0.000 1.930 161 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 161 A C 2.211 179.907 177.584 0.187 0.000 1.175 161 A CA 1.594 53.656 52.037 0.041 0.000 0.627 161 A CB -0.898 17.949 19.000 -0.255 0.000 0.815 161 A HN 0.675 nan 8.150 nan 0.000 0.443 162 H N -0.549 118.665 119.070 0.240 0.000 2.326 162 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 162 H C 2.348 177.889 175.328 0.356 0.000 1.081 162 H CA 1.903 58.146 56.048 0.325 0.000 1.334 162 H CB -0.356 29.628 29.762 0.371 0.000 1.385 162 H HN 0.311 nan 8.280 nan 0.000 0.504 163 V N 1.143 121.369 119.914 0.521 0.000 2.295 163 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 163 V C 2.661 178.930 176.094 0.291 0.000 1.049 163 V CA 1.220 63.801 62.300 0.467 0.000 1.024 163 V CB -0.634 31.456 31.823 0.445 0.000 0.648 163 V HN 0.163 nan 8.190 nan 0.000 0.447 164 L N -0.242 121.135 121.223 0.256 0.000 2.191 164 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 164 L C 2.306 179.254 176.870 0.131 0.000 1.103 164 L CA 1.746 56.718 54.840 0.221 0.000 0.769 164 L CB -0.975 41.218 42.059 0.223 0.000 0.908 164 L HN 0.287 nan 8.230 nan 0.000 0.438 165 K N -1.025 119.429 120.400 0.091 0.000 2.076 165 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 165 K C 2.101 178.613 176.600 -0.148 0.000 1.051 165 K CA 0.949 57.210 56.287 -0.043 0.000 0.949 165 K CB -0.112 32.376 32.500 -0.022 0.000 0.726 165 K HN 0.143 nan 8.250 nan 0.000 0.443 166 Q N -0.719 118.912 119.800 -0.281 0.000 2.181 166 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 166 Q C 0.424 175.932 176.000 -0.820 0.000 0.980 166 Q CA 1.367 56.751 55.803 -0.699 0.000 0.862 166 Q CB 0.105 28.040 28.738 -1.339 0.000 0.905 166 Q HN 0.427 nan 8.270 nan 0.000 0.429 167 Y N -1.520 118.734 120.300 -0.078 0.000 2.734 167 Y HA 0.387 4.937 4.550 0.000 0.000 0.278 167 Y C 1.312 177.208 175.900 -0.006 0.000 1.108 167 Y CA -0.164 57.916 58.100 -0.034 0.000 1.211 167 Y CB -0.228 38.233 38.460 0.001 0.000 1.182 167 Y HN -0.005 nan 8.280 nan 0.000 0.547 168 A N 0.590 123.430 122.820 0.034 0.000 1.978 168 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 168 A C 2.430 180.013 177.584 -0.001 0.000 1.170 168 A CA 1.945 53.988 52.037 0.010 0.000 0.636 168 A CB -0.697 18.268 19.000 -0.058 0.000 0.810 168 A HN 0.482 nan 8.150 nan 0.000 0.448 169 A N -0.749 122.074 122.820 0.006 0.000 1.972 169 A HA -0.193 4.128 4.320 -0.000 0.000 0.219 169 A C 1.919 179.498 177.584 -0.009 0.000 1.169 169 A CA 1.576 53.608 52.037 -0.009 0.000 0.635 169 A CB -0.413 18.591 19.000 0.006 0.000 0.810 169 A HN 0.672 nan 8.150 nan 0.000 0.446 170 Q N -0.741 119.093 119.800 0.056 0.000 2.280 170 Q HA 0.385 4.725 4.340 -0.000 0.000 0.202 170 Q C -0.490 175.538 176.000 0.046 0.000 0.903 170 Q CA -0.140 55.704 55.803 0.068 0.000 0.948 170 Q CB 0.140 28.964 28.738 0.143 0.000 1.058 170 Q HN 0.568 nan 8.270 nan 0.000 0.493 171 L N -0.249 120.939 121.223 -0.059 0.000 2.303 171 L HA 0.469 4.809 4.340 -0.000 0.000 0.266 171 L C -0.355 176.181 176.870 -0.557 0.000 1.011 171 L CA -0.820 53.912 54.840 -0.180 0.000 0.818 171 L CB 1.949 44.044 42.059 0.059 0.000 1.326 171 L HN 0.050 nan 8.230 nan 0.000 0.435 172 N N -1.098 117.007 118.700 -0.991 0.000 2.629 172 N HA 0.676 5.416 4.740 -0.000 0.000 0.279 172 N C -0.118 175.212 175.510 -0.300 0.000 1.344 172 N CA -0.009 52.599 53.050 -0.737 0.000 0.789 172 N CB 1.997 39.859 38.487 -1.042 0.000 1.508 172 N HN 0.842 nan 8.380 nan 0.000 0.516 173 G N -0.470 108.250 108.800 -0.132 0.000 2.574 173 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.282 173 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.282 173 G C -0.733 174.174 174.900 0.010 0.000 1.257 173 G CA 0.031 45.127 45.100 -0.007 0.000 0.956 173 G HN 0.473 nan 8.290 nan 0.000 0.560 174 V N 0.945 120.888 119.914 0.049 0.000 2.815 174 V HA 0.712 4.832 4.120 -0.000 0.000 0.314 174 V C 0.276 176.436 176.094 0.110 0.000 1.064 174 V CA -0.829 61.509 62.300 0.064 0.000 0.952 174 V CB 1.854 33.709 31.823 0.054 0.000 1.020 174 V HN 0.680 nan 8.190 nan 0.000 0.439 175 I N 2.967 123.625 120.570 0.146 0.000 2.436 175 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 175 I C -0.315 175.941 176.117 0.231 0.000 1.010 175 I CA -0.577 60.858 61.300 0.225 0.000 1.098 175 I CB 1.825 39.995 38.000 0.282 0.000 1.266 175 I HN 0.626 nan 8.210 nan 0.000 0.434 176 K N 7.008 127.535 120.400 0.212 0.000 2.345 176 K HA 0.684 5.004 4.320 -0.000 0.000 0.255 176 K C -1.172 175.542 176.600 0.190 0.000 0.934 176 K CA -0.668 55.729 56.287 0.183 0.000 0.801 176 K CB 2.766 35.340 32.500 0.124 0.000 1.137 176 K HN 0.423 nan 8.250 nan 0.000 0.424 177 L N 4.869 126.189 121.223 0.162 0.000 2.316 177 L HA 0.453 4.793 4.340 -0.000 0.000 0.280 177 L C -0.527 176.399 176.870 0.093 0.000 1.006 177 L CA -0.996 53.899 54.840 0.090 0.000 0.836 177 L CB 0.939 43.036 42.059 0.065 0.000 1.221 177 L HN 0.406 nan 8.230 nan 0.000 0.418 178 I N 2.975 123.539 120.570 -0.010 0.000 2.325 178 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 178 I C -0.421 175.634 176.117 -0.104 0.000 1.019 178 I CA -0.148 61.178 61.300 0.042 0.000 1.302 178 I CB 0.620 38.664 38.000 0.073 0.000 1.401 178 I HN 0.349 nan 8.210 nan 0.000 0.485 179 F N 4.863 124.790 119.950 -0.037 0.000 2.332 179 F HA 0.354 4.881 4.527 0.000 0.000 0.368 179 F C 0.750 176.505 175.800 -0.075 0.000 1.110 179 F CA -0.448 57.501 58.000 -0.085 0.000 1.087 179 F CB 0.905 39.818 39.000 -0.145 0.000 1.235 179 F HN 0.470 nan 8.300 nan 0.000 0.470 180 Q N 6.084 125.900 119.800 0.026 0.000 2.241 180 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 180 Q C -2.624 173.309 176.000 -0.112 0.000 0.917 180 Q CA -1.964 53.825 55.803 -0.023 0.000 0.919 180 Q CB 2.072 30.792 28.738 -0.029 0.000 1.237 180 Q HN 0.242 nan 8.270 nan 0.000 0.434 181 P HA 0.199 nan 4.420 nan 0.000 0.283 181 P C -1.094 175.856 177.300 -0.583 0.000 1.278 181 P CA 0.015 62.884 63.100 -0.385 0.000 0.834 181 P CB 0.979 32.432 31.700 -0.411 0.000 1.150 182 A N 0.565 122.966 122.820 -0.698 0.000 2.415 182 A HA -0.199 4.121 4.320 -0.000 0.000 0.292 182 A C 1.416 178.756 177.584 -0.407 0.000 1.452 182 A CA 1.064 52.674 52.037 -0.712 0.000 0.750 182 A CB -2.046 16.107 19.000 -1.411 0.000 1.099 182 A HN 0.682 nan 8.150 nan 0.000 0.391 183 E N 0.203 120.251 120.200 -0.254 0.000 2.216 183 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 183 E C 0.320 176.845 176.600 -0.125 0.000 0.988 183 E CA 0.589 56.895 56.400 -0.155 0.000 0.834 183 E CB 0.071 29.721 29.700 -0.083 0.000 0.772 183 E HN 0.758 nan 8.360 nan 0.000 0.479 184 E N 0.007 120.135 120.200 -0.121 0.000 2.324 184 E HA 0.195 4.545 4.350 -0.000 0.000 0.271 184 E C 0.668 177.221 176.600 -0.079 0.000 1.028 184 E CA 0.707 57.060 56.400 -0.078 0.000 0.890 184 E CB 0.666 30.328 29.700 -0.062 0.000 1.004 184 E HN 0.365 nan 8.360 nan 0.000 0.431 185 G N 3.151 111.920 108.800 -0.052 0.000 2.159 185 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.256 185 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.256 185 G C 0.416 175.292 174.900 -0.041 0.000 0.977 185 G CA 1.022 46.101 45.100 -0.035 0.000 0.652 185 G HN 1.206 nan 8.290 nan 0.000 0.531 186 T N -3.149 111.364 114.554 -0.069 0.000 3.433 186 T HA -0.283 4.067 4.350 -0.000 0.000 0.412 186 T C 1.008 175.680 174.700 -0.046 0.000 0.768 186 T CA 2.179 64.234 62.100 -0.076 0.000 2.077 186 T CB -1.499 67.325 68.868 -0.074 0.000 1.700 186 T HN 0.999 nan 8.240 nan 0.000 0.666 187 R N -0.066 120.397 120.500 -0.061 0.000 2.316 187 R HA 0.344 4.684 4.340 -0.000 0.000 0.201 187 R C 2.651 178.988 176.300 0.062 0.000 0.888 187 R CA 0.397 56.518 56.100 0.034 0.000 1.041 187 R CB 0.123 30.483 30.300 0.101 0.000 1.115 187 R HN 0.518 nan 8.270 nan 0.000 0.559 188 G N 0.456 109.164 108.800 -0.153 0.000 2.608 188 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.210 188 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.210 188 G C 1.468 176.363 174.900 -0.007 0.000 1.139 188 G CA 0.526 45.526 45.100 -0.166 0.000 0.812 188 G HN 0.258 nan 8.290 nan 0.000 0.529 189 A N 1.065 123.865 122.820 -0.033 0.000 1.940 189 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 189 A C 2.249 179.843 177.584 0.017 0.000 1.176 189 A CA 1.898 53.930 52.037 -0.008 0.000 0.631 189 A CB -0.456 18.522 19.000 -0.036 0.000 0.814 189 A HN 0.343 nan 8.150 nan 0.000 0.446 190 R N -0.104 120.413 120.500 0.027 0.000 2.083 190 R HA -0.040 4.300 4.340 -0.000 0.000 0.237 190 R C 1.394 177.730 176.300 0.061 0.000 1.137 190 R CA 1.022 57.140 56.100 0.030 0.000 0.951 190 R CB -0.510 29.807 30.300 0.029 0.000 0.851 190 R HN 0.514 nan 8.270 nan 0.000 0.434 194 A N 0.340 123.176 122.820 0.027 0.000 2.121 194 A HA 0.302 4.622 4.320 -0.000 0.000 0.218 194 A C 1.916 179.524 177.584 0.040 0.000 1.154 194 A CA 1.949 54.003 52.037 0.029 0.000 0.679 194 A CB -0.285 18.737 19.000 0.037 0.000 0.795 194 A HN 0.933 nan 8.150 nan 0.000 0.458 195 A N -1.947 120.906 122.820 0.056 0.000 2.218 195 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 195 A C 1.750 179.362 177.584 0.046 0.000 1.168 195 A CA 1.141 53.215 52.037 0.063 0.000 0.804 195 A CB -0.646 18.410 19.000 0.095 0.000 0.834 195 A HN 1.749 nan 8.150 nan 0.000 0.482 196 G N -1.685 107.135 108.800 0.032 0.000 2.175 196 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 196 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 196 G C 0.989 175.905 174.900 0.026 0.000 0.982 196 G CA 0.472 45.585 45.100 0.021 0.000 0.641 196 G HN 0.631 nan 8.290 nan 0.000 0.527 197 V N 0.443 120.382 119.914 0.042 0.000 2.370 197 V HA -0.235 3.885 4.120 -0.000 0.000 0.252 197 V C 2.657 178.780 176.094 0.048 0.000 1.068 197 V CA 2.616 64.951 62.300 0.058 0.000 1.061 197 V CB -0.371 31.500 31.823 0.080 0.000 0.656 197 V HN 1.313 nan 8.190 nan 0.000 0.455 198 V N -3.932 115.989 119.914 0.012 0.000 3.319 198 V HA 0.302 4.422 4.120 -0.000 0.000 0.317 198 V C 1.203 177.273 176.094 -0.040 0.000 1.411 198 V CA 0.152 62.447 62.300 -0.009 0.000 1.112 198 V CB 0.152 31.928 31.823 -0.079 0.000 1.031 198 V HN 0.322 nan 8.190 nan 0.000 0.448 199 D N 2.639 123.022 120.400 -0.027 0.000 2.312 199 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 199 D C 1.312 177.589 176.300 -0.038 0.000 0.964 199 D CA 1.679 55.657 54.000 -0.037 0.000 0.877 199 D CB 0.095 40.880 40.800 -0.024 0.000 0.924 199 D HN 0.835 nan 8.370 nan 0.000 0.515 200 D N 0.036 120.421 120.400 -0.025 0.000 2.424 200 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 200 D C 0.141 176.417 176.300 -0.039 0.000 1.150 200 D CA -0.191 53.794 54.000 -0.026 0.000 0.831 200 D CB 0.215 41.013 40.800 -0.005 0.000 0.981 200 D HN -0.139 nan 8.370 nan 0.000 0.500 201 V N 1.448 121.329 119.914 -0.055 0.000 2.465 201 V HA 0.123 4.243 4.120 -0.000 0.000 0.279 201 V C 0.784 176.773 176.094 -0.176 0.000 1.045 201 V CA -0.385 61.870 62.300 -0.075 0.000 0.938 201 V CB 1.950 33.764 31.823 -0.015 0.000 0.986 201 V HN 0.003 nan 8.190 nan 0.000 0.467 202 D N 2.212 122.460 120.400 -0.254 0.000 2.323 202 D HA 0.079 4.719 4.640 -0.000 0.000 0.218 202 D C -0.383 175.322 176.300 -0.992 0.000 0.973 202 D CA 1.261 54.932 54.000 -0.547 0.000 0.890 202 D CB 0.509 41.025 40.800 -0.473 0.000 1.011 202 D HN 0.560 nan 8.370 nan 0.000 0.499 203 Y N -0.292 119.772 120.300 -0.394 0.000 2.346 203 Y HA 0.372 4.923 4.550 -0.000 0.000 0.332 203 Y C -0.873 174.749 175.900 -0.463 0.000 0.985 203 Y CA -1.104 56.566 58.100 -0.717 0.000 1.112 203 Y CB 1.553 39.332 38.460 -1.134 0.000 1.170 203 Y HN -0.258 nan 8.280 nan 0.000 0.447 204 F N 2.227 121.937 119.950 -0.399 0.000 2.508 204 F HA 0.794 5.321 4.527 0.000 0.000 0.325 204 F C -0.633 175.191 175.800 0.039 0.000 1.090 204 F CA -0.365 57.521 58.000 -0.190 0.000 0.945 204 F CB 1.717 40.638 39.000 -0.133 0.000 1.156 204 F HN 0.387 nan 8.300 nan 0.000 0.463 205 T N 4.990 119.159 114.554 -0.642 0.000 3.050 205 T HA 0.631 4.981 4.350 -0.000 0.000 0.310 205 T C -0.841 173.536 174.700 -0.539 0.000 0.978 205 T CA -0.530 61.429 62.100 -0.235 0.000 1.013 205 T CB 1.151 70.063 68.868 0.073 0.000 1.000 205 T HN 0.786 nan 8.240 nan 0.000 0.447 206 A N 3.923 126.552 122.820 -0.317 0.000 2.309 206 A HA 0.831 5.151 4.320 -0.000 0.000 0.298 206 A C -0.186 177.121 177.584 -0.461 0.000 1.165 206 A CA -0.569 51.259 52.037 -0.348 0.000 0.821 206 A CB 0.102 19.046 19.000 -0.094 0.000 1.102 206 A HN 0.861 nan 8.150 nan 0.000 0.500 207 I N 1.719 122.065 120.570 -0.374 0.000 2.412 207 I HA 0.449 4.619 4.170 -0.000 0.000 0.296 207 I C -0.253 175.643 176.117 -0.368 0.000 0.987 207 I CA -0.328 60.813 61.300 -0.265 0.000 1.180 207 I CB 1.746 39.678 38.000 -0.114 0.000 1.340 207 I HN 0.865 nan 8.210 nan 0.000 0.455 208 H N 5.910 124.779 119.070 -0.335 0.000 2.996 208 H HA 0.509 5.065 4.556 -0.000 0.000 0.368 208 H C -1.524 173.863 175.328 0.100 0.000 1.185 208 H CA -0.667 55.207 56.048 -0.289 0.000 1.160 208 H CB 1.559 31.323 29.762 0.003 0.000 1.820 208 H HN 0.294 nan 8.280 nan 0.000 0.547 209 I N 3.687 124.053 120.570 -0.340 0.000 2.304 209 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 209 I C 0.923 176.771 176.117 -0.448 0.000 1.018 209 I CA -0.049 61.157 61.300 -0.156 0.000 1.260 209 I CB 0.644 38.667 38.000 0.039 0.000 1.390 209 I HN 0.808 nan 8.210 nan 0.000 0.475 210 G N 3.978 112.692 108.800 -0.144 0.000 2.350 210 G HA2 0.353 4.313 3.960 -0.000 0.000 0.306 210 G HA3 0.353 4.313 3.960 -0.000 0.000 0.306 210 G C 0.979 175.889 174.900 0.018 0.000 1.094 210 G CA -0.190 44.893 45.100 -0.027 0.000 0.953 210 G HN 0.740 nan 8.290 nan 0.000 0.420 211 T N 0.111 114.688 114.554 0.038 0.000 2.942 211 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 211 T C 2.027 176.753 174.700 0.043 0.000 1.062 211 T CA 1.059 63.182 62.100 0.038 0.000 1.139 211 T CB 0.164 69.059 68.868 0.046 0.000 0.883 211 T HN 0.438 nan 8.240 nan 0.000 0.468 212 G N 0.979 109.816 108.800 0.061 0.000 3.327 212 G HA2 0.460 4.420 3.960 -0.000 0.000 0.240 212 G HA3 0.460 4.420 3.960 -0.000 0.000 0.240 212 G C -0.196 174.726 174.900 0.037 0.000 1.222 212 G CA -0.294 44.834 45.100 0.047 0.000 0.871 212 G HN 0.475 nan 8.290 nan 0.000 0.525 213 V N 1.435 121.370 119.914 0.035 0.000 2.656 213 V HA 0.367 4.487 4.120 -0.000 0.000 0.307 213 V C -2.101 174.004 176.094 0.018 0.000 1.051 213 V CA -2.047 60.268 62.300 0.024 0.000 0.893 213 V CB 2.787 34.628 31.823 0.029 0.000 0.999 213 V HN 0.046 nan 8.190 nan 0.000 0.426 214 P HA -0.078 nan 4.420 nan 0.000 0.263 214 P C 0.806 178.113 177.300 0.012 0.000 1.168 214 P CA 0.524 63.628 63.100 0.006 0.000 0.759 214 P CB 0.636 32.336 31.700 -0.001 0.000 0.782 215 A N 3.946 126.773 122.820 0.012 0.000 2.104 215 A HA -0.172 4.148 4.320 -0.000 0.000 0.223 215 A C 2.002 179.599 177.584 0.022 0.000 1.164 215 A CA 2.198 54.244 52.037 0.016 0.000 0.659 215 A CB -1.257 17.747 19.000 0.008 0.000 0.808 215 A HN 0.687 nan 8.150 nan 0.000 0.465 216 G N -2.745 106.064 108.800 0.016 0.000 3.274 216 G HA2 0.358 4.318 3.960 -0.000 0.000 0.250 216 G HA3 0.358 4.318 3.960 -0.000 0.000 0.250 216 G C 0.398 175.304 174.900 0.011 0.000 1.024 216 G CA 0.565 45.676 45.100 0.018 0.000 0.840 216 G HN 0.325 nan 8.290 nan 0.000 0.522 217 T N 0.793 115.347 114.554 0.000 0.000 2.904 217 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 217 T C -0.513 174.156 174.700 -0.053 0.000 1.018 217 T CA 0.098 62.183 62.100 -0.025 0.000 1.075 217 T CB 2.355 71.207 68.868 -0.026 0.000 0.986 217 T HN -0.110 nan 8.240 nan 0.000 0.523 218 V N 3.175 123.023 119.914 -0.110 0.000 2.462 218 V HA 0.243 4.363 4.120 -0.000 0.000 0.288 218 V C -0.256 175.709 176.094 -0.215 0.000 1.020 218 V CA -0.881 61.273 62.300 -0.243 0.000 0.857 218 V CB 1.679 33.310 31.823 -0.320 0.000 1.013 218 V HN 0.733 nan 8.190 nan 0.000 0.431 219 V N 3.827 123.632 119.914 -0.181 0.000 2.488 219 V HA 0.102 4.222 4.120 -0.000 0.000 0.277 219 V C 0.943 176.960 176.094 -0.129 0.000 1.046 219 V CA -0.072 62.163 62.300 -0.109 0.000 0.986 219 V CB 1.026 32.826 31.823 -0.038 0.000 0.989 219 V HN 1.060 nan 8.190 nan 0.000 0.475 220 C N 3.119 122.355 119.300 -0.106 0.000 2.906 220 C HA 0.418 4.878 4.460 -0.000 0.000 0.274 220 C C 1.542 176.526 174.990 -0.010 0.000 1.257 220 C CA 0.225 59.180 59.018 -0.104 0.000 1.695 220 C CB -0.548 27.101 27.740 -0.151 0.000 1.958 220 C HN 1.040 nan 8.230 nan 0.000 0.619 221 G N 0.424 109.242 108.800 0.029 0.000 4.917 221 G HA2 0.462 4.422 3.960 -0.000 0.000 0.244 221 G HA3 0.462 4.422 3.960 -0.000 0.000 0.244 221 G C 0.346 175.295 174.900 0.081 0.000 1.072 221 G CA 0.044 45.194 45.100 0.083 0.000 0.850 221 G HN 0.423 nan 8.290 nan 0.000 0.559 222 G N 0.855 109.733 108.800 0.130 0.000 2.265 222 G HA2 0.371 4.331 3.960 -0.000 0.000 0.240 222 G HA3 0.371 4.331 3.960 -0.000 0.000 0.240 222 G C 0.307 175.149 174.900 -0.095 0.000 1.270 222 G CA 0.467 45.570 45.100 0.005 0.000 0.901 222 G HN 0.459 nan 8.290 nan 0.000 0.507 223 D N -0.685 119.542 120.400 -0.287 0.000 2.712 223 D HA -0.035 4.605 4.640 -0.000 0.000 0.300 223 D C 0.169 176.224 176.300 -0.408 0.000 1.521 223 D CA -0.547 53.306 54.000 -0.246 0.000 0.790 223 D CB -0.713 40.048 40.800 -0.065 0.000 1.155 223 D HN 0.382 nan 8.370 nan 0.000 0.456 224 N N 0.435 118.672 118.700 -0.770 0.000 2.802 224 N HA 0.222 4.962 4.740 -0.000 0.000 0.288 224 N C -1.013 174.126 175.510 -0.619 0.000 1.268 224 N CA -0.211 52.500 53.050 -0.565 0.000 1.035 224 N CB 0.166 38.379 38.487 -0.456 0.000 1.353 224 N HN 0.080 nan 8.380 nan 0.000 0.522 228 T N -0.028 114.510 114.554 -0.026 0.000 2.840 228 T HA 0.783 5.133 4.350 -0.000 0.000 0.317 228 T C -1.383 173.280 174.700 -0.062 0.000 1.401 228 T CA 0.260 62.345 62.100 -0.025 0.000 1.028 228 T CB 1.819 70.678 68.868 -0.015 0.000 1.317 228 T HN 1.293 nan 8.240 nan 0.000 0.495 229 T N 3.593 118.117 114.554 -0.050 0.000 2.928 229 T HA 0.560 4.910 4.350 -0.000 0.000 0.296 229 T C -1.211 173.518 174.700 0.049 0.000 1.000 229 T CA -0.806 61.229 62.100 -0.108 0.000 0.989 229 T CB 1.384 70.023 68.868 -0.382 0.000 1.005 229 T HN 0.558 nan 8.240 nan 0.000 0.442 230 K N 2.814 123.244 120.400 0.050 0.000 2.292 230 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 230 K C -1.070 175.631 176.600 0.169 0.000 0.940 230 K CA -0.825 55.490 56.287 0.047 0.000 0.811 230 K CB 1.530 34.030 32.500 -0.001 0.000 1.120 230 K HN 0.658 nan 8.250 nan 0.000 0.428 231 F N -1.386 118.580 119.950 0.026 0.000 2.668 231 F HA 0.531 5.058 4.527 -0.000 0.000 0.309 231 F C -1.397 174.438 175.800 0.059 0.000 1.117 231 F CA -1.228 56.805 58.000 0.055 0.000 0.951 231 F CB 1.398 40.479 39.000 0.136 0.000 1.323 231 F HN 0.204 nan 8.300 nan 0.000 0.451 232 D N 1.199 121.720 120.400 0.202 0.000 2.252 232 D HA 0.647 5.287 4.640 -0.000 0.000 0.245 232 D C -1.111 175.299 176.300 0.183 0.000 1.009 232 D CA -0.376 53.681 54.000 0.095 0.000 0.870 232 D CB 2.609 43.444 40.800 0.058 0.000 1.251 232 D HN 0.507 nan 8.370 nan 0.000 0.460 233 V N 2.062 122.026 119.914 0.083 0.000 2.443 233 V HA 0.284 4.404 4.120 -0.000 0.000 0.293 233 V C -0.489 175.510 176.094 -0.159 0.000 1.021 233 V CA -0.753 61.521 62.300 -0.043 0.000 0.848 233 V CB 1.661 33.406 31.823 -0.129 0.000 0.998 233 V HN 0.351 nan 8.190 nan 0.000 0.424 234 Q N 3.978 123.678 119.800 -0.167 0.000 2.325 234 Q HA 0.587 4.927 4.340 -0.000 0.000 0.262 234 Q C -1.560 174.345 176.000 -0.159 0.000 0.968 234 Q CA -0.095 55.659 55.803 -0.081 0.000 0.877 234 Q CB 1.169 29.897 28.738 -0.017 0.000 1.253 234 Q HN 0.538 nan 8.270 nan 0.000 0.448 235 F N 1.664 121.667 119.950 0.089 0.000 2.415 235 F HA 0.499 5.026 4.527 0.000 0.000 0.348 235 F C 0.121 175.959 175.800 0.064 0.000 1.119 235 F CA -0.439 57.617 58.000 0.094 0.000 1.069 235 F CB 2.006 41.036 39.000 0.050 0.000 1.124 235 F HN 0.373 nan 8.300 nan 0.000 0.472 236 S N 1.860 117.700 115.700 0.234 0.000 2.530 236 S HA 0.710 5.180 4.470 -0.000 0.000 0.322 236 S C 0.306 174.990 174.600 0.140 0.000 1.085 236 S CA -0.724 57.563 58.200 0.146 0.000 1.096 236 S CB 1.387 64.640 63.200 0.089 0.000 0.988 236 S HN 0.880 nan 8.310 nan 0.000 0.466 237 G N 1.541 110.407 108.800 0.111 0.000 3.135 237 G HA2 0.697 4.657 3.960 -0.000 0.000 0.159 237 G HA3 0.697 4.657 3.960 -0.000 0.000 0.159 237 G C -1.156 173.787 174.900 0.072 0.000 1.244 237 G CA -0.542 44.616 45.100 0.097 0.000 0.965 237 G HN 0.583 nan 8.290 nan 0.000 0.599 238 V N 0.860 120.813 119.914 0.064 0.000 2.483 238 V HA 0.648 4.768 4.120 -0.000 0.000 0.297 238 V C 0.476 176.597 176.094 0.045 0.000 1.027 238 V CA -0.801 61.530 62.300 0.052 0.000 0.855 238 V CB 0.839 32.693 31.823 0.052 0.000 0.995 238 V HN 1.030 nan 8.190 nan 0.000 0.424 239 A N 3.904 126.747 122.820 0.039 0.000 2.386 239 A HA 0.900 5.220 4.320 -0.000 0.000 0.248 239 A C 0.338 177.945 177.584 0.039 0.000 1.082 239 A CA 0.516 52.573 52.037 0.033 0.000 0.789 239 A CB 0.683 19.701 19.000 0.030 0.000 1.025 239 A HN 1.816 nan 8.150 nan 0.000 0.490 240 A N 0.391 123.234 122.820 0.038 0.000 2.608 240 A HA 0.540 4.860 4.320 -0.000 0.000 0.292 240 A C -0.760 176.863 177.584 0.064 0.000 1.066 240 A CA -0.603 51.470 52.037 0.060 0.000 0.676 240 A CB 0.450 19.484 19.000 0.057 0.000 1.277 240 A HN 1.067 nan 8.150 nan 0.000 0.413 241 H N 1.948 121.026 119.070 0.014 0.000 2.955 241 H HA 0.359 4.915 4.556 -0.000 0.000 0.290 241 H C 1.429 176.764 175.328 0.012 0.000 1.047 241 H CA 0.673 56.728 56.048 0.012 0.000 1.484 241 H CB 1.397 31.166 29.762 0.010 0.000 1.501 241 H HN 0.829 nan 8.280 nan 0.000 0.521 242 A N 4.502 127.146 122.820 -0.292 0.000 1.927 242 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 242 A C 2.351 179.916 177.584 -0.032 0.000 1.185 242 A CA 1.998 53.943 52.037 -0.153 0.000 0.639 242 A CB -0.899 17.987 19.000 -0.190 0.000 0.820 242 A HN 0.812 nan 8.150 nan 0.000 0.451 243 G N -1.824 106.989 108.800 0.022 0.000 2.510 243 G HA2 0.251 4.211 3.960 -0.000 0.000 0.212 243 G HA3 0.251 4.211 3.960 -0.000 0.000 0.212 243 G C 1.441 176.492 174.900 0.251 0.000 1.151 243 G CA 1.089 46.300 45.100 0.185 0.000 0.817 243 G HN 0.710 nan 8.290 nan 0.000 0.534 244 G N 0.116 109.197 108.800 0.469 0.000 2.404 244 G HA2 0.024 3.984 3.960 -0.000 0.000 0.214 244 G HA3 0.024 3.984 3.960 -0.000 0.000 0.214 244 G C 0.915 175.871 174.900 0.093 0.000 1.189 244 G CA 0.679 45.856 45.100 0.130 0.000 0.789 244 G HN 0.354 nan 8.290 nan 0.000 0.533 245 K N 0.667 121.140 120.400 0.122 0.000 3.084 245 K HA 0.304 4.624 4.320 -0.000 0.000 0.172 245 K C -1.698 174.944 176.600 0.069 0.000 1.078 245 K CA -1.645 54.686 56.287 0.073 0.000 0.875 245 K CB 1.960 34.495 32.500 0.058 0.000 1.064 245 K HN 0.036 nan 8.250 nan 0.000 0.597 246 P HA -0.244 nan 4.420 nan 0.000 0.221 246 P C 0.603 177.928 177.300 0.041 0.000 1.145 246 P CA 1.205 64.334 63.100 0.047 0.000 0.795 246 P CB 0.421 32.144 31.700 0.039 0.000 0.775 247 E N 0.087 120.310 120.200 0.037 0.000 2.347 247 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 247 E C 0.809 177.429 176.600 0.034 0.000 1.008 247 E CA 0.837 57.256 56.400 0.031 0.000 0.852 247 E CB -0.774 28.941 29.700 0.024 0.000 0.783 247 E HN 0.204 nan 8.360 nan 0.000 0.505 248 D N 1.555 121.979 120.400 0.039 0.000 2.355 248 D HA 0.075 4.715 4.640 -0.000 0.000 0.218 248 D C 0.781 177.108 176.300 0.045 0.000 1.004 248 D CA 0.601 54.625 54.000 0.040 0.000 0.880 248 D CB 0.070 40.894 40.800 0.040 0.000 0.911 248 D HN 0.228 nan 8.370 nan 0.000 0.528 249 G N 0.319 109.149 108.800 0.049 0.000 2.507 249 G HA2 0.384 4.344 3.960 -0.000 0.000 0.271 249 G HA3 0.384 4.344 3.960 -0.000 0.000 0.271 249 G C 0.033 174.976 174.900 0.071 0.000 1.189 249 G CA -0.425 44.707 45.100 0.054 0.000 0.859 249 G HN -0.100 nan 8.290 nan 0.000 0.542 250 R N 1.550 122.098 120.500 0.081 0.000 2.680 250 R HA 0.158 4.498 4.340 -0.000 0.000 0.278 250 R C -0.728 175.634 176.300 0.102 0.000 1.582 250 R CA -0.880 55.292 56.100 0.120 0.000 1.177 250 R CB 0.959 31.323 30.300 0.107 0.000 1.232 250 R HN 0.556 nan 8.270 nan 0.000 0.528 251 N N 1.925 120.692 118.700 0.112 0.000 2.406 251 N HA 0.010 4.750 4.740 -0.000 0.000 0.274 251 N C 0.856 176.234 175.510 -0.220 0.000 1.249 251 N CA 0.179 53.200 53.050 -0.048 0.000 0.951 251 N CB 1.160 39.599 38.487 -0.079 0.000 1.241 251 N HN 0.592 nan 8.380 nan 0.000 0.485 252 A N 4.407 127.153 122.820 -0.123 0.000 2.014 252 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 252 A C 2.157 179.565 177.584 -0.294 0.000 1.163 252 A CA 0.574 52.529 52.037 -0.137 0.000 0.652 252 A CB -0.257 18.767 19.000 0.039 0.000 0.808 252 A HN 0.729 nan 8.150 nan 0.000 0.449 253 L N -0.442 120.638 121.223 -0.238 0.000 2.017 253 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 253 L C 2.316 178.968 176.870 -0.363 0.000 1.073 253 L CA 1.427 56.126 54.840 -0.236 0.000 0.745 253 L CB -0.226 41.744 42.059 -0.148 0.000 0.894 253 L HN 0.398 nan 8.230 nan 0.000 0.432 254 L N -0.410 120.519 121.223 -0.490 0.000 2.141 254 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 254 L C 2.806 179.197 176.870 -0.799 0.000 1.094 254 L CA 0.927 55.404 54.840 -0.606 0.000 0.763 254 L CB -0.843 40.803 42.059 -0.689 0.000 0.908 254 L HN 0.364 nan 8.230 nan 0.000 0.437 255 A N 0.245 122.448 122.820 -1.029 0.000 1.902 255 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 255 A C 2.551 179.607 177.584 -0.881 0.000 1.181 255 A CA 1.720 53.268 52.037 -0.815 0.000 0.623 255 A CB -0.635 17.953 19.000 -0.687 0.000 0.818 255 A HN 0.386 nan 8.150 nan 0.000 0.443 256 A N -0.203 122.013 122.820 -1.005 0.000 1.930 256 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 256 A C 2.492 179.898 177.584 -0.297 0.000 1.175 256 A CA 1.984 53.584 52.037 -0.728 0.000 0.627 256 A CB -0.972 17.817 19.000 -0.352 0.000 0.815 256 A HN 1.027 nan 8.150 nan 0.000 0.443 257 A N -0.731 121.928 122.820 -0.267 0.000 1.877 257 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 257 A C 2.140 179.662 177.584 -0.102 0.000 1.186 257 A CA 1.609 53.557 52.037 -0.148 0.000 0.620 257 A CB -0.540 18.373 19.000 -0.144 0.000 0.822 257 A HN 0.595 nan 8.150 nan 0.000 0.443 258 Q N -0.821 118.905 119.800 -0.124 0.000 2.167 258 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 258 Q C 2.428 178.416 176.000 -0.019 0.000 0.970 258 Q CA 1.241 57.019 55.803 -0.042 0.000 0.855 258 Q CB -0.347 28.399 28.738 0.012 0.000 0.911 258 Q HN 0.687 nan 8.270 nan 0.000 0.438 259 A N 1.356 124.144 122.820 -0.053 0.000 1.873 259 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 259 A C 2.376 180.008 177.584 0.079 0.000 1.186 259 A CA 1.553 53.614 52.037 0.039 0.000 0.616 259 A CB -0.700 18.375 19.000 0.125 0.000 0.823 259 A HN 0.364 nan 8.150 nan 0.000 0.442 260 A N -0.295 122.562 122.820 0.063 0.000 1.892 260 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 260 A C 2.030 179.700 177.584 0.144 0.000 1.188 260 A CA 1.903 54.009 52.037 0.115 0.000 0.631 260 A CB -0.612 18.421 19.000 0.055 0.000 0.822 260 A HN 0.388 nan 8.150 nan 0.000 0.447 261 L N -0.328 120.936 121.223 0.068 0.000 2.017 261 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 261 L C 2.802 179.730 176.870 0.096 0.000 1.073 261 L CA 2.050 56.931 54.840 0.068 0.000 0.745 261 L CB -2.030 40.045 42.059 0.028 0.000 0.894 261 L HN 0.438 nan 8.230 nan 0.000 0.432 262 G N -0.794 108.050 108.800 0.074 0.000 2.440 262 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 262 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 262 G C 1.797 176.740 174.900 0.072 0.000 1.154 262 G CA 0.708 45.847 45.100 0.065 0.000 0.767 262 G HN 0.339 nan 8.290 nan 0.000 0.552 263 L N -0.427 120.849 121.223 0.088 0.000 2.042 263 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 263 L C 2.514 179.373 176.870 -0.018 0.000 1.076 263 L CA 1.060 55.927 54.840 0.045 0.000 0.749 263 L CB -0.429 41.667 42.059 0.062 0.000 0.893 263 L HN 0.299 nan 8.230 nan 0.000 0.432 264 H N -0.971 118.120 119.070 0.035 0.000 2.556 264 H HA 0.128 4.684 4.556 -0.000 0.000 0.268 264 H C 1.654 177.002 175.328 0.034 0.000 0.996 264 H CA 0.752 56.819 56.048 0.032 0.000 1.157 264 H CB 0.453 30.229 29.762 0.024 0.000 1.355 264 H HN 0.326 nan 8.280 nan 0.000 0.597 265 A N 0.646 123.533 122.820 0.111 0.000 2.348 265 A HA 0.177 4.497 4.320 -0.000 0.000 0.224 265 A C 0.970 178.591 177.584 0.063 0.000 1.227 265 A CA -0.369 51.716 52.037 0.081 0.000 0.885 265 A CB 0.001 19.042 19.000 0.068 0.000 0.933 265 A HN 0.138 nan 8.150 nan 0.000 0.506 266 I N 2.387 122.984 120.570 0.046 0.000 2.828 266 I HA 0.006 4.176 4.170 -0.000 0.000 0.292 266 I C -1.991 174.182 176.117 0.095 0.000 1.206 266 I CA -1.105 60.221 61.300 0.044 0.000 1.420 266 I CB 0.524 38.515 38.000 -0.014 0.000 1.368 266 I HN 0.153 nan 8.210 nan 0.000 0.556 267 P HA 0.087 nan 4.420 nan 0.000 0.267 267 P C -2.217 175.228 177.300 0.242 0.000 1.200 267 P CA -0.752 62.445 63.100 0.162 0.000 0.772 267 P CB -0.180 31.611 31.700 0.152 0.000 0.855 268 P HA 0.087 nan 4.420 nan 0.000 0.286 268 P C -0.896 176.501 177.300 0.161 0.000 1.293 268 P CA 0.047 63.258 63.100 0.185 0.000 0.770 268 P CB 0.567 32.330 31.700 0.106 0.000 1.206 269 H N -1.457 117.637 119.070 0.040 0.000 2.524 269 H HA 0.259 4.815 4.556 0.000 0.000 0.353 269 H C 1.410 176.695 175.328 -0.072 0.000 1.136 269 H CA -0.231 55.744 56.048 -0.121 0.000 1.193 269 H CB 1.558 31.257 29.762 -0.104 0.000 1.558 269 H HN 0.278 nan 8.280 nan 0.000 0.515 270 S N 2.938 118.507 115.700 -0.219 0.000 2.382 270 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 270 S C 2.034 176.707 174.600 0.122 0.000 1.027 270 S CA 0.804 58.974 58.200 -0.050 0.000 0.991 270 S CB -0.388 62.725 63.200 -0.146 0.000 0.823 270 S HN 0.659 nan 8.310 nan 0.000 0.469 271 A N 1.329 124.379 122.820 0.384 0.000 2.209 271 A HA 0.560 4.880 4.320 -0.000 0.000 0.212 271 A C 1.185 178.829 177.584 0.100 0.000 1.158 271 A CA 0.702 52.864 52.037 0.209 0.000 0.742 271 A CB -0.780 18.325 19.000 0.174 0.000 0.790 271 A HN 1.212 nan 8.150 nan 0.000 0.472 272 G N -2.958 105.911 108.800 0.114 0.000 2.324 272 G HA2 0.548 4.508 3.960 -0.000 0.000 0.293 272 G HA3 0.548 4.508 3.960 -0.000 0.000 0.293 272 G C -0.470 174.468 174.900 0.064 0.000 1.297 272 G CA -0.288 44.844 45.100 0.054 0.000 0.853 272 G HN 1.076 nan 8.290 nan 0.000 0.535 273 A N -0.362 122.484 122.820 0.044 0.000 2.483 273 A HA 0.731 5.051 4.320 -0.000 0.000 0.238 273 A C 0.871 178.490 177.584 0.059 0.000 1.070 273 A CA 1.150 53.217 52.037 0.050 0.000 0.770 273 A CB -0.045 18.974 19.000 0.033 0.000 1.008 273 A HN 2.395 nan 8.150 nan 0.000 0.497 274 S N 1.304 117.050 115.700 0.077 0.000 2.565 274 S HA 0.827 5.297 4.470 -0.000 0.000 0.269 274 S C -0.797 173.846 174.600 0.071 0.000 1.153 274 S CA -0.956 57.297 58.200 0.087 0.000 0.835 274 S CB 1.607 64.898 63.200 0.152 0.000 1.122 274 S HN 1.098 nan 8.310 nan 0.000 0.462 275 R N 0.535 121.067 120.500 0.054 0.000 2.629 275 R HA 0.702 5.042 4.340 -0.000 0.000 0.266 275 R C -2.283 174.018 176.300 0.001 0.000 1.051 275 R CA -0.643 55.474 56.100 0.028 0.000 0.895 275 R CB 2.013 32.328 30.300 0.025 0.000 1.246 275 R HN 0.661 nan 8.270 nan 0.000 0.459 276 V N 2.589 122.468 119.914 -0.058 0.000 2.656 276 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 276 V C -0.960 174.984 176.094 -0.251 0.000 1.051 276 V CA -0.853 61.370 62.300 -0.129 0.000 0.893 276 V CB 1.962 33.683 31.823 -0.170 0.000 0.999 276 V HN 0.816 nan 8.190 nan 0.000 0.426 277 N N 2.357 120.947 118.700 -0.183 0.000 2.397 277 N HA 0.484 5.224 4.740 -0.000 0.000 0.291 277 N C -1.399 174.098 175.510 -0.020 0.000 1.065 277 N CA -0.367 52.629 53.050 -0.091 0.000 0.884 277 N CB 2.217 40.710 38.487 0.010 0.000 1.551 277 N HN 0.335 nan 8.380 nan 0.000 0.487 278 V N 3.591 123.621 119.914 0.194 0.000 2.284 278 V HA 0.348 4.468 4.120 -0.000 0.000 0.260 278 V C 1.452 177.604 176.094 0.096 0.000 1.084 278 V CA -0.099 62.281 62.300 0.133 0.000 0.894 278 V CB 0.557 32.515 31.823 0.224 0.000 1.119 278 V HN 0.944 nan 8.190 nan 0.000 0.484 279 G N 3.773 112.588 108.800 0.026 0.000 2.448 279 G HA2 0.118 4.078 3.960 -0.000 0.000 0.218 279 G HA3 0.118 4.078 3.960 -0.000 0.000 0.218 279 G C 0.489 175.395 174.900 0.011 0.000 1.135 279 G CA 0.720 45.831 45.100 0.018 0.000 0.784 279 G HN 0.501 nan 8.290 nan 0.000 0.543 283 A N 1.173 124.000 122.820 0.013 0.000 2.604 283 A HA 0.999 5.319 4.320 -0.000 0.000 0.295 283 A C -0.392 177.190 177.584 -0.003 0.000 1.067 283 A CA -0.041 52.002 52.037 0.009 0.000 0.683 283 A CB 1.836 20.829 19.000 -0.011 0.000 1.281 283 A HN 1.417 nan 8.150 nan 0.000 0.407 284 G N -0.291 108.509 108.800 -0.001 0.000 2.719 284 G HA2 0.251 4.211 3.960 -0.000 0.000 0.686 284 G HA3 0.251 4.211 3.960 -0.000 0.000 0.686 284 G C 0.179 175.078 174.900 -0.001 0.000 1.201 284 G CA 0.269 45.365 45.100 -0.007 0.000 0.768 284 G HN 1.384 nan 8.290 nan 0.000 0.629 285 T N 0.514 115.066 114.554 -0.003 0.000 3.045 285 T HA 0.550 4.900 4.350 -0.000 0.000 0.239 285 T C 1.197 175.894 174.700 -0.004 0.000 1.008 285 T CA 1.628 63.728 62.100 0.001 0.000 1.143 285 T CB 0.299 69.170 68.868 0.005 0.000 0.894 285 T HN 1.904 nan 8.240 nan 0.000 0.451 286 G N -0.212 108.580 108.800 -0.014 0.000 2.698 286 G HA2 0.455 4.415 3.960 -0.000 0.000 0.293 286 G HA3 0.455 4.415 3.960 -0.000 0.000 0.293 286 G C 0.050 174.929 174.900 -0.034 0.000 1.437 286 G CA -0.711 44.378 45.100 -0.019 0.000 0.852 286 G HN 0.006 nan 8.290 nan 0.000 0.499 287 R N 0.122 120.602 120.500 -0.033 0.000 2.133 287 R HA -0.163 4.177 4.340 -0.000 0.000 0.247 287 R C 1.489 177.748 176.300 -0.068 0.000 1.151 287 R CA 2.147 58.223 56.100 -0.041 0.000 0.971 287 R CB -0.017 30.265 30.300 -0.030 0.000 0.866 287 R HN 0.579 nan 8.270 nan 0.000 0.447 288 N N -0.601 118.043 118.700 -0.093 0.000 2.238 288 N HA 0.038 4.778 4.740 -0.000 0.000 0.222 288 N C -0.846 174.515 175.510 -0.249 0.000 1.133 288 N CA -0.115 52.825 53.050 -0.184 0.000 0.854 288 N CB 0.788 39.154 38.487 -0.202 0.000 1.041 288 N HN -0.077 nan 8.380 nan 0.000 0.510 289 V N 0.889 120.723 119.914 -0.134 0.000 2.604 289 V HA 0.316 4.436 4.120 -0.000 0.000 0.305 289 V C 0.081 176.138 176.094 -0.062 0.000 1.043 289 V CA -1.060 61.183 62.300 -0.096 0.000 0.888 289 V CB 2.329 34.127 31.823 -0.043 0.000 0.995 289 V HN -0.082 nan 8.190 nan 0.000 0.429 290 V N 6.812 126.701 119.914 -0.042 0.000 2.485 290 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 290 V C -2.104 173.981 176.094 -0.015 0.000 1.022 290 V CA -1.201 61.085 62.300 -0.023 0.000 1.067 290 V CB 0.700 32.524 31.823 0.001 0.000 0.967 290 V HN 0.769 nan 8.190 nan 0.000 0.479 291 P HA 0.036 nan 4.420 nan 0.000 0.261 291 P C 0.430 177.727 177.300 -0.005 0.000 1.183 291 P CA 0.412 63.499 63.100 -0.021 0.000 0.761 291 P CB 0.490 32.164 31.700 -0.043 0.000 0.785 292 S N 0.244 115.953 115.700 0.015 0.000 2.603 292 S HA 0.233 4.703 4.470 -0.000 0.000 0.232 292 S C 0.531 175.163 174.600 0.054 0.000 1.016 292 S CA -0.172 58.049 58.200 0.035 0.000 0.976 292 S CB 0.143 63.365 63.200 0.037 0.000 0.921 292 S HN 0.369 nan 8.310 nan 0.000 0.516 293 S N 0.545 116.274 115.700 0.049 0.000 2.538 293 S HA 0.829 5.299 4.470 -0.000 0.000 0.288 293 S C -1.092 173.555 174.600 0.079 0.000 1.108 293 S CA -0.168 58.075 58.200 0.072 0.000 0.971 293 S CB 1.550 64.782 63.200 0.053 0.000 1.041 293 S HN 0.901 nan 8.310 nan 0.000 0.483 294 A N 3.276 126.182 122.820 0.142 0.000 2.547 294 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 294 A C -1.873 175.855 177.584 0.240 0.000 1.056 294 A CA -0.561 51.573 52.037 0.162 0.000 0.688 294 A CB 1.538 20.616 19.000 0.129 0.000 1.282 294 A HN 0.960 nan 8.150 nan 0.000 0.400 295 L N 2.014 123.340 121.223 0.171 0.000 2.408 295 L HA 0.808 5.148 4.340 -0.000 0.000 0.268 295 L C -1.594 175.357 176.870 0.135 0.000 0.986 295 L CA -0.367 54.559 54.840 0.143 0.000 0.820 295 L CB 1.626 43.731 42.059 0.077 0.000 1.303 295 L HN 0.663 nan 8.230 nan 0.000 0.411 296 L N 4.714 126.017 121.223 0.133 0.000 2.362 296 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 296 L C -0.532 176.338 176.870 0.001 0.000 0.998 296 L CA -0.767 54.129 54.840 0.093 0.000 0.820 296 L CB 1.925 44.083 42.059 0.165 0.000 1.270 296 L HN 0.545 nan 8.230 nan 0.000 0.415 297 K N 3.324 123.701 120.400 -0.037 0.000 2.367 297 K HA 0.595 4.915 4.320 -0.000 0.000 0.263 297 K C -1.085 175.410 176.600 -0.175 0.000 1.000 297 K CA -0.498 55.730 56.287 -0.098 0.000 0.891 297 K CB 2.200 34.671 32.500 -0.048 0.000 1.117 297 K HN 0.250 nan 8.250 nan 0.000 0.443 298 V N 1.699 121.375 119.914 -0.396 0.000 2.919 298 V HA 0.434 4.554 4.120 -0.000 0.000 0.316 298 V C -0.398 175.410 176.094 -0.477 0.000 1.077 298 V CA -0.906 61.091 62.300 -0.506 0.000 0.977 298 V CB 2.006 33.302 31.823 -0.878 0.000 1.039 298 V HN 0.757 nan 8.190 nan 0.000 0.441 299 E N 0.544 120.588 120.200 -0.260 0.000 2.275 299 E HA 0.546 4.896 4.350 -0.000 0.000 0.270 299 E C -1.510 175.078 176.600 -0.020 0.000 0.882 299 E CA -0.396 55.935 56.400 -0.116 0.000 0.758 299 E CB 2.325 31.986 29.700 -0.064 0.000 1.195 299 E HN 0.696 nan 8.360 nan 0.000 0.419 300 T N 3.358 117.955 114.554 0.072 0.000 2.829 300 T HA 0.560 4.910 4.350 -0.000 0.000 0.280 300 T C -0.799 173.937 174.700 0.061 0.000 0.999 300 T CA -0.475 61.695 62.100 0.117 0.000 0.983 300 T CB 0.952 69.984 68.868 0.273 0.000 0.968 300 T HN 0.393 nan 8.240 nan 0.000 0.446 301 R N 0.865 121.395 120.500 0.050 0.000 2.795 301 R HA 0.765 5.105 4.340 -0.000 0.000 0.275 301 R C -0.673 175.654 176.300 0.045 0.000 0.981 301 R CA -0.882 55.240 56.100 0.037 0.000 0.917 301 R CB 2.340 32.657 30.300 0.028 0.000 1.202 301 R HN 0.785 nan 8.270 nan 0.000 0.469 302 G N 0.102 108.922 108.800 0.034 0.000 2.759 302 G HA2 0.122 4.082 3.960 -0.000 0.000 0.297 302 G HA3 0.122 4.082 3.960 -0.000 0.000 0.297 302 G C -0.314 174.594 174.900 0.012 0.000 1.434 302 G CA -0.490 44.627 45.100 0.029 0.000 0.980 302 G HN 0.695 nan 8.290 nan 0.000 0.531 303 E N -0.170 120.032 120.200 0.003 0.000 2.204 303 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 303 E C 1.235 177.828 176.600 -0.012 0.000 0.989 303 E CA 1.240 57.638 56.400 -0.003 0.000 0.824 303 E CB 0.173 29.870 29.700 -0.005 0.000 0.756 303 E HN 0.542 nan 8.360 nan 0.000 0.477 304 S N -1.376 114.307 115.700 -0.029 0.000 2.661 304 S HA 0.234 4.704 4.470 -0.000 0.000 0.285 304 S C 0.528 175.113 174.600 -0.025 0.000 1.138 304 S CA -0.735 57.448 58.200 -0.029 0.000 0.855 304 S CB 1.659 64.830 63.200 -0.047 0.000 1.136 304 S HN 0.010 nan 8.310 nan 0.000 0.484 305 E N 1.504 121.694 120.200 -0.017 0.000 2.058 305 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 305 E C 2.076 178.674 176.600 -0.004 0.000 0.997 305 E CA 2.350 58.744 56.400 -0.010 0.000 0.801 305 E CB -0.953 28.742 29.700 -0.009 0.000 0.746 305 E HN 0.805 nan 8.360 nan 0.000 0.450 306 A N 0.486 123.296 122.820 -0.016 0.000 1.908 306 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 306 A C 2.437 180.005 177.584 -0.028 0.000 1.181 306 A CA 1.699 53.731 52.037 -0.009 0.000 0.627 306 A CB -0.762 18.224 19.000 -0.024 0.000 0.818 306 A HN 0.392 nan 8.150 nan 0.000 0.445 307 I N -0.205 120.288 120.570 -0.128 0.000 2.315 307 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 307 I C 2.490 178.654 176.117 0.077 0.000 1.117 307 I CA 1.347 62.551 61.300 -0.160 0.000 1.404 307 I CB -0.383 37.478 38.000 -0.230 0.000 1.071 307 I HN 0.502 nan 8.210 nan 0.000 0.419 308 N N 0.565 119.294 118.700 0.048 0.000 2.188 308 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 308 N C 1.852 177.429 175.510 0.112 0.000 1.018 308 N CA 1.062 54.156 53.050 0.072 0.000 0.858 308 N CB 0.154 38.659 38.487 0.030 0.000 0.989 308 N HN 0.318 nan 8.380 nan 0.000 0.426 309 Q N 0.049 119.916 119.800 0.112 0.000 2.119 309 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 309 Q C 1.777 177.889 176.000 0.187 0.000 0.972 309 Q CA 0.978 56.873 55.803 0.154 0.000 0.847 309 Q CB -0.697 28.112 28.738 0.119 0.000 0.903 309 Q HN 0.600 nan 8.270 nan 0.000 0.433 310 Y N 0.793 121.156 120.300 0.105 0.000 2.145 310 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 310 Y C 2.080 178.060 175.900 0.133 0.000 1.145 310 Y CA 1.236 59.415 58.100 0.132 0.000 1.148 310 Y CB -0.517 38.063 38.460 0.200 0.000 0.981 310 Y HN -0.153 nan 8.280 nan 0.000 0.507 311 V N 0.384 120.099 119.914 -0.330 0.000 2.343 311 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 311 V C 2.268 178.283 176.094 -0.133 0.000 1.051 311 V CA 2.139 64.211 62.300 -0.381 0.000 1.036 311 V CB -1.100 30.685 31.823 -0.062 0.000 0.654 311 V HN 0.533 nan 8.190 nan 0.000 0.451 312 F N 1.087 120.960 119.950 -0.128 0.000 2.146 312 F HA -0.126 4.401 4.527 0.000 0.000 0.298 312 F C 2.353 178.060 175.800 -0.156 0.000 1.096 312 F CA 1.879 59.812 58.000 -0.112 0.000 1.275 312 F CB -0.314 38.629 39.000 -0.095 0.000 1.008 312 F HN 0.211 nan 8.300 nan 0.000 0.480 313 E N -0.326 119.763 120.200 -0.185 0.000 2.058 313 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 313 E C 2.310 178.803 176.600 -0.180 0.000 0.997 313 E CA 1.205 57.471 56.400 -0.225 0.000 0.801 313 E CB -0.145 29.549 29.700 -0.010 0.000 0.746 313 E HN 0.156 nan 8.360 nan 0.000 0.450 314 R N 0.509 120.906 120.500 -0.172 0.000 2.083 314 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 314 R C 2.080 178.316 176.300 -0.106 0.000 1.137 314 R CA 1.499 57.534 56.100 -0.109 0.000 0.951 314 R CB -0.687 29.448 30.300 -0.274 0.000 0.851 314 R HN 0.184 nan 8.270 nan 0.000 0.434 315 A N 0.238 122.951 122.820 -0.179 0.000 1.940 315 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 315 A C 1.994 179.428 177.584 -0.249 0.000 1.176 315 A CA 1.631 53.592 52.037 -0.127 0.000 0.631 315 A CB -0.455 18.550 19.000 0.007 0.000 0.814 315 A HN 0.462 nan 8.150 nan 0.000 0.446 316 Q N -1.379 118.126 119.800 -0.492 0.000 2.119 316 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 316 Q C 1.988 177.775 176.000 -0.356 0.000 0.972 316 Q CA 1.299 56.791 55.803 -0.520 0.000 0.847 316 Q CB -0.250 28.074 28.738 -0.689 0.000 0.903 316 Q HN 0.769 nan 8.270 nan 0.000 0.433 317 H N -0.380 118.572 119.070 -0.197 0.000 2.389 317 H HA -0.053 4.503 4.556 0.000 0.000 0.299 317 H C 2.264 177.527 175.328 -0.108 0.000 1.081 317 H CA 1.131 57.104 56.048 -0.125 0.000 1.345 317 H CB 0.096 29.804 29.762 -0.089 0.000 1.393 317 H HN 0.069 nan 8.280 nan 0.000 0.520 318 V N 1.373 121.299 119.914 0.021 0.000 2.295 318 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 318 V C 2.906 178.996 176.094 -0.008 0.000 1.049 318 V CA 1.744 64.053 62.300 0.016 0.000 1.024 318 V CB -0.674 31.166 31.823 0.028 0.000 0.648 318 V HN 0.387 nan 8.190 nan 0.000 0.447 319 V N -1.120 118.754 119.914 -0.066 0.000 2.548 319 V HA 0.001 4.121 4.120 -0.000 0.000 0.249 319 V C 2.388 178.252 176.094 -0.383 0.000 1.055 319 V CA 1.677 63.921 62.300 -0.092 0.000 1.065 319 V CB -0.950 30.797 31.823 -0.127 0.000 0.681 319 V HN 0.360 nan 8.190 nan 0.000 0.462 320 A N 1.401 123.913 122.820 -0.512 0.000 1.898 320 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 320 A C 2.374 179.867 177.584 -0.151 0.000 1.181 320 A CA 1.812 53.516 52.037 -0.555 0.000 0.620 320 A CB -1.454 17.423 19.000 -0.206 0.000 0.819 320 A HN 0.689 nan 8.150 nan 0.000 0.442 321 G N -0.490 108.277 108.800 -0.054 0.000 2.402 321 G HA2 0.034 3.994 3.960 -0.000 0.000 0.216 321 G HA3 0.034 3.994 3.960 -0.000 0.000 0.216 321 G C 1.723 176.650 174.900 0.044 0.000 1.162 321 G CA 1.322 46.432 45.100 0.016 0.000 0.777 321 G HN 0.780 nan 8.290 nan 0.000 0.539 322 A N 1.002 123.853 122.820 0.050 0.000 1.972 322 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 322 A C 2.749 180.420 177.584 0.145 0.000 1.169 322 A CA 2.099 54.186 52.037 0.084 0.000 0.635 322 A CB -0.579 18.436 19.000 0.025 0.000 0.810 322 A HN 0.701 nan 8.150 nan 0.000 0.446 323 A N 0.054 122.989 122.820 0.191 0.000 1.897 323 A HA 0.416 4.736 4.320 -0.000 0.000 0.215 323 A C 1.774 179.495 177.584 0.229 0.000 1.181 323 A CA 1.194 53.411 52.037 0.299 0.000 0.620 323 A CB -1.082 18.130 19.000 0.353 0.000 0.821 323 A HN 1.042 nan 8.150 nan 0.000 0.443 327 E N -0.199 120.077 120.200 0.126 0.000 2.389 327 E HA -0.150 4.200 4.350 -0.000 0.000 0.243 327 E C 0.133 176.820 176.600 0.146 0.000 1.154 327 E CA 0.563 57.028 56.400 0.110 0.000 0.723 327 E CB -1.117 28.624 29.700 0.068 0.000 1.261 327 E HN 0.397 nan 8.360 nan 0.000 0.390 328 A N 0.776 123.716 122.820 0.200 0.000 2.320 328 A HA 0.721 5.041 4.320 -0.000 0.000 0.334 328 A C 0.162 177.893 177.584 0.244 0.000 1.147 328 A CA -0.575 51.591 52.037 0.215 0.000 0.820 328 A CB 1.050 20.200 19.000 0.250 0.000 1.218 328 A HN 0.182 nan 8.150 nan 0.000 0.482 329 R N -0.496 120.125 120.500 0.203 0.000 2.528 329 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 329 R C -1.128 175.316 176.300 0.239 0.000 1.056 329 R CA -0.146 56.058 56.100 0.174 0.000 1.117 329 R CB 1.035 31.376 30.300 0.068 0.000 1.085 329 R HN 0.801 nan 8.270 nan 0.000 0.530 330 Y N -2.012 118.286 120.300 -0.003 0.000 2.534 330 Y HA 0.521 5.071 4.550 0.000 0.000 0.345 330 Y C -1.339 174.484 175.900 -0.129 0.000 1.031 330 Y CA -1.112 56.909 58.100 -0.132 0.000 1.022 330 Y CB 1.775 40.100 38.460 -0.225 0.000 1.292 330 Y HN 0.539 nan 8.280 nan 0.000 0.459 331 E N 4.065 124.166 120.200 -0.164 0.000 2.256 331 E HA 0.466 4.816 4.350 -0.000 0.000 0.268 331 E C -2.208 174.365 176.600 -0.046 0.000 0.877 331 E CA -1.028 55.258 56.400 -0.190 0.000 0.757 331 E CB 2.129 31.758 29.700 -0.119 0.000 1.183 331 E HN 0.920 nan 8.360 nan 0.000 0.418 332 L N 5.197 126.408 121.223 -0.021 0.000 2.280 332 L HA 0.546 4.886 4.340 -0.000 0.000 0.287 332 L C -0.568 176.347 176.870 0.076 0.000 1.023 332 L CA -0.339 54.551 54.840 0.084 0.000 0.819 332 L CB 0.492 42.598 42.059 0.079 0.000 1.212 332 L HN 0.583 nan 8.230 nan 0.000 0.420 337 A N -0.995 121.800 122.820 -0.042 0.000 2.583 337 A HA 1.100 5.420 4.320 -0.000 0.000 0.298 337 A C -0.489 177.053 177.584 -0.071 0.000 1.055 337 A CA 0.432 52.425 52.037 -0.074 0.000 0.714 337 A CB 1.054 19.996 19.000 -0.097 0.000 1.277 337 A HN 2.685 nan 8.150 nan 0.000 0.406 338 A N 0.272 123.046 122.820 -0.078 0.000 2.601 338 A HA 0.945 5.265 4.320 -0.000 0.000 0.291 338 A C -0.357 177.187 177.584 -0.068 0.000 1.075 338 A CA 0.265 52.252 52.037 -0.083 0.000 0.671 338 A CB 1.045 19.982 19.000 -0.104 0.000 1.277 338 A HN 1.992 nan 8.150 nan 0.000 0.417 339 T N -0.596 113.919 114.554 -0.064 0.000 2.804 339 T HA 0.757 5.107 4.350 -0.000 0.000 0.272 339 T C 0.410 175.103 174.700 -0.012 0.000 0.986 339 T CA 0.323 62.400 62.100 -0.038 0.000 0.999 339 T CB 1.168 70.012 68.868 -0.040 0.000 1.307 339 T HN 1.998 nan 8.240 nan 0.000 0.586 340 A N 1.018 123.842 122.820 0.007 0.000 2.332 340 A HA 0.581 4.901 4.320 -0.000 0.000 0.258 340 A C 0.221 177.839 177.584 0.056 0.000 1.087 340 A CA -0.276 51.784 52.037 0.038 0.000 0.802 340 A CB 0.188 19.202 19.000 0.022 0.000 1.042 340 A HN 0.684 nan 8.150 nan 0.000 0.489 341 S N 0.108 115.872 115.700 0.106 0.000 2.438 341 S HA 0.558 5.028 4.470 -0.000 0.000 0.316 341 S C -0.246 174.409 174.600 0.091 0.000 1.084 341 S CA 0.056 58.337 58.200 0.135 0.000 1.107 341 S CB 0.374 63.750 63.200 0.294 0.000 0.981 341 S HN 1.600 nan 8.310 nan 0.000 0.466 342 A N 6.839 129.707 122.820 0.079 0.000 2.938 342 A HA 0.596 4.916 4.320 -0.000 0.000 0.344 342 A C -2.766 174.873 177.584 0.092 0.000 1.142 342 A CA -1.566 50.511 52.037 0.066 0.000 0.841 342 A CB 0.005 19.030 19.000 0.042 0.000 1.083 342 A HN 0.631 nan 8.150 nan 0.000 0.479 343 P HA 0.056 nan 4.420 nan 0.000 0.262 343 P C 0.123 177.516 177.300 0.155 0.000 1.182 343 P CA 0.547 63.747 63.100 0.167 0.000 0.761 343 P CB 0.605 32.406 31.700 0.169 0.000 0.795 344 S N 5.915 121.734 115.700 0.198 0.000 2.481 344 S HA 0.060 4.530 4.470 -0.000 0.000 0.282 344 S C -1.235 173.492 174.600 0.211 0.000 1.243 344 S CA -0.562 57.752 58.200 0.190 0.000 1.078 344 S CB 0.070 63.400 63.200 0.217 0.000 0.916 344 S HN 0.406 nan 8.310 nan 0.000 0.495 345 P HA -0.159 nan 4.420 nan 0.000 0.216 345 P C 1.341 178.722 177.300 0.136 0.000 1.153 345 P CA 1.198 64.367 63.100 0.115 0.000 0.858 345 P CB 0.134 31.880 31.700 0.078 0.000 0.789 346 A N -1.355 121.566 122.820 0.167 0.000 1.930 346 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 346 A C 2.234 179.993 177.584 0.291 0.000 1.175 346 A CA 1.167 53.315 52.037 0.185 0.000 0.627 346 A CB -1.871 17.234 19.000 0.176 0.000 0.815 346 A HN 0.324 nan 8.150 nan 0.000 0.443 347 W N 0.540 121.918 121.300 0.130 0.000 2.418 347 W HA -0.110 4.550 4.660 -0.000 0.000 0.292 347 W C 1.654 178.271 176.519 0.163 0.000 1.213 347 W CA 1.509 58.963 57.345 0.181 0.000 1.283 347 W CB 0.114 29.705 29.460 0.219 0.000 1.119 347 W HN 0.195 nan 8.180 nan 0.000 0.542 348 V N 1.283 121.277 119.914 0.133 0.000 2.287 348 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 348 V C 2.068 178.109 176.094 -0.089 0.000 1.053 348 V CA 2.368 64.654 62.300 -0.023 0.000 1.027 348 V CB -1.046 30.801 31.823 0.041 0.000 0.646 348 V HN 0.057 nan 8.190 nan 0.000 0.447 349 D N -1.026 119.365 120.400 -0.014 0.000 2.123 349 D HA -0.223 4.417 4.640 -0.000 0.000 0.196 349 D C 1.963 178.216 176.300 -0.078 0.000 0.992 349 D CA 1.753 55.733 54.000 -0.033 0.000 0.833 349 D CB -0.258 40.550 40.800 0.015 0.000 0.954 349 D HN 0.593 nan 8.370 nan 0.000 0.455 350 Y N 1.663 121.840 120.300 -0.206 0.000 2.145 350 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 350 Y C 2.264 177.944 175.900 -0.366 0.000 1.145 350 Y CA 1.227 59.152 58.100 -0.291 0.000 1.148 350 Y CB -0.502 37.747 38.460 -0.352 0.000 0.981 350 Y HN -0.104 nan 8.280 nan 0.000 0.507 351 L N -0.143 120.730 121.223 -0.584 0.000 2.046 351 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 351 L C 2.784 179.416 176.870 -0.398 0.000 1.077 351 L CA 1.720 56.214 54.840 -0.577 0.000 0.747 351 L CB -0.656 41.098 42.059 -0.508 0.000 0.896 351 L HN 0.125 nan 8.230 nan 0.000 0.432 352 R N 0.594 120.919 120.500 -0.292 0.000 2.073 352 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 352 R C 2.178 178.351 176.300 -0.212 0.000 1.134 352 R CA 1.752 57.726 56.100 -0.210 0.000 0.952 352 R CB -0.110 30.102 30.300 -0.146 0.000 0.850 352 R HN 0.445 nan 8.270 nan 0.000 0.433 353 E N -0.113 119.945 120.200 -0.237 0.000 2.058 353 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 353 E C 2.216 178.670 176.600 -0.244 0.000 0.997 353 E CA 1.167 57.440 56.400 -0.212 0.000 0.801 353 E CB -0.010 29.569 29.700 -0.202 0.000 0.746 353 E HN 0.366 nan 8.360 nan 0.000 0.450 354 Q N 0.200 119.776 119.800 -0.374 0.000 2.046 354 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 354 Q C 2.310 178.193 176.000 -0.196 0.000 0.975 354 Q CA 1.382 56.990 55.803 -0.324 0.000 0.836 354 Q CB -0.506 27.944 28.738 -0.479 0.000 0.896 354 Q HN 0.275 nan 8.270 nan 0.000 0.428 355 A N 1.464 124.169 122.820 -0.191 0.000 1.908 355 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 355 A C 2.383 179.916 177.584 -0.085 0.000 1.181 355 A CA 2.153 54.123 52.037 -0.111 0.000 0.627 355 A CB -0.805 18.111 19.000 -0.140 0.000 0.818 355 A HN 0.376 nan 8.150 nan 0.000 0.445 356 A N -0.067 122.690 122.820 -0.105 0.000 1.892 356 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 356 A C 2.223 179.770 177.584 -0.061 0.000 1.188 356 A CA 1.849 53.839 52.037 -0.079 0.000 0.631 356 A CB -0.524 18.425 19.000 -0.085 0.000 0.822 356 A HN 0.573 nan 8.150 nan 0.000 0.447 357 R N -0.740 119.718 120.500 -0.071 0.000 2.189 357 R HA 0.037 4.377 4.340 -0.000 0.000 0.223 357 R C 0.082 176.358 176.300 -0.040 0.000 1.092 357 R CA 0.379 56.446 56.100 -0.055 0.000 0.989 357 R CB -0.404 29.858 30.300 -0.065 0.000 0.876 357 R HN 0.342 nan 8.270 nan 0.000 0.457 358 V N 3.058 122.950 119.914 -0.036 0.000 2.485 358 V HA -0.026 4.094 4.120 -0.000 0.000 0.287 358 V C -1.334 174.757 176.094 -0.006 0.000 1.022 358 V CA -0.848 61.443 62.300 -0.014 0.000 1.067 358 V CB 0.905 32.734 31.823 0.010 0.000 0.967 358 V HN 0.063 nan 8.190 nan 0.000 0.479 359 P HA -0.225 nan 4.420 nan 0.000 0.211 359 P C 1.494 178.794 177.300 -0.001 0.000 0.906 359 P CA 1.858 64.954 63.100 -0.006 0.000 1.017 359 P CB -0.080 31.616 31.700 -0.007 0.000 0.717 360 G N -1.232 107.570 108.800 0.004 0.000 2.780 360 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.205 360 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.205 360 G C 0.076 174.989 174.900 0.022 0.000 1.158 360 G CA 0.128 45.234 45.100 0.009 0.000 0.812 360 G HN 0.211 nan 8.290 nan 0.000 0.521 361 V N -0.121 119.804 119.914 0.019 0.000 2.427 361 V HA 0.259 4.379 4.120 -0.000 0.000 0.286 361 V C 0.721 176.814 176.094 -0.003 0.000 1.034 361 V CA -0.444 61.867 62.300 0.018 0.000 0.893 361 V CB 1.718 33.549 31.823 0.014 0.000 0.982 361 V HN 0.227 nan 8.190 nan 0.000 0.452 362 Q N 1.685 121.482 119.800 -0.005 0.000 2.274 362 Q HA 0.197 4.537 4.340 -0.000 0.000 0.198 362 Q C 0.170 176.156 176.000 -0.024 0.000 0.955 362 Q CA 0.905 56.700 55.803 -0.013 0.000 0.859 362 Q CB 0.390 29.122 28.738 -0.010 0.000 0.956 362 Q HN 0.632 nan 8.270 nan 0.000 0.516 363 Q N -0.095 119.687 119.800 -0.029 0.000 2.363 363 Q HA 0.568 4.908 4.340 -0.000 0.000 0.265 363 Q C -1.463 174.501 176.000 -0.060 0.000 1.032 363 Q CA -0.329 55.450 55.803 -0.040 0.000 0.746 363 Q CB 1.810 30.527 28.738 -0.035 0.000 1.237 363 Q HN 0.197 nan 8.270 nan 0.000 0.475 364 A N 3.333 126.112 122.820 -0.068 0.000 2.621 364 A HA 0.542 4.862 4.320 -0.000 0.000 0.329 364 A C 0.000 177.533 177.584 -0.085 0.000 1.458 364 A CA -0.339 51.641 52.037 -0.094 0.000 1.052 364 A CB 0.138 19.077 19.000 -0.102 0.000 1.142 364 A HN 0.413 nan 8.150 nan 0.000 0.523 365 V N 2.017 121.881 119.914 -0.083 0.000 2.975 365 V HA 0.241 4.361 4.120 -0.000 0.000 0.318 365 V C 0.596 176.650 176.094 -0.067 0.000 1.077 365 V CA -0.507 61.753 62.300 -0.066 0.000 1.000 365 V CB 1.674 33.465 31.823 -0.053 0.000 1.066 365 V HN 0.834 nan 8.190 nan 0.000 0.452 366 D N 1.125 121.495 120.400 -0.049 0.000 2.087 366 D HA 0.029 4.669 4.640 -0.000 0.000 0.201 366 D C 0.860 177.142 176.300 -0.030 0.000 0.980 366 D CA 1.247 55.225 54.000 -0.037 0.000 0.849 366 D CB 0.085 40.871 40.800 -0.023 0.000 1.001 366 D HN 0.691 nan 8.370 nan 0.000 0.452 367 R N -0.798 119.683 120.500 -0.032 0.000 2.905 367 R HA 0.730 5.070 4.340 -0.000 0.000 0.260 367 R C -1.426 174.847 176.300 -0.045 0.000 1.086 367 R CA -0.896 55.180 56.100 -0.040 0.000 0.978 367 R CB 1.656 31.931 30.300 -0.042 0.000 1.215 367 R HN 0.040 nan 8.270 nan 0.000 0.480 368 I N 0.255 120.792 120.570 -0.056 0.000 2.692 368 I HA 0.487 4.657 4.170 -0.000 0.000 0.293 368 I C -1.029 175.052 176.117 -0.059 0.000 1.200 368 I CA -0.652 60.619 61.300 -0.049 0.000 1.036 368 I CB 2.214 40.189 38.000 -0.041 0.000 1.258 368 I HN 0.985 nan 8.210 nan 0.000 0.421 369 A N 5.597 128.389 122.820 -0.047 0.000 2.531 369 A HA 0.745 5.065 4.320 -0.000 0.000 0.236 369 A C -0.016 177.539 177.584 -0.049 0.000 1.062 369 A CA 0.768 52.776 52.037 -0.048 0.000 0.760 369 A CB -0.297 18.683 19.000 -0.034 0.000 0.995 369 A HN 1.871 nan 8.150 nan 0.000 0.501 370 A N 2.957 125.742 122.820 -0.058 0.000 2.569 370 A HA 0.676 4.996 4.320 -0.000 0.000 0.292 370 A C -2.997 174.554 177.584 -0.055 0.000 1.032 370 A CA -0.873 51.133 52.037 -0.051 0.000 0.669 370 A CB 0.193 19.158 19.000 -0.059 0.000 1.290 370 A HN 0.872 nan 8.150 nan 0.000 0.422 371 P HA 0.445 nan 4.420 nan 0.000 0.267 371 P C 0.113 177.387 177.300 -0.043 0.000 1.200 371 P CA 0.393 63.477 63.100 -0.027 0.000 0.772 371 P CB 0.799 32.495 31.700 -0.007 0.000 0.855 372 A N 2.012 124.809 122.820 -0.037 0.000 2.388 372 A HA 0.605 4.925 4.320 -0.000 0.000 0.257 372 A C 0.679 178.264 177.584 0.002 0.000 1.095 372 A CA 0.473 52.486 52.037 -0.041 0.000 0.791 372 A CB 0.046 19.030 19.000 -0.027 0.000 1.029 372 A HN 0.765 nan 8.150 nan 0.000 0.489 373 G N -0.349 108.475 108.800 0.038 0.000 3.058 373 G HA2 0.622 4.582 3.960 -0.000 0.000 0.282 373 G HA3 0.622 4.582 3.960 -0.000 0.000 0.282 373 G C -0.731 174.272 174.900 0.172 0.000 1.248 373 G CA -0.115 45.043 45.100 0.096 0.000 0.822 373 G HN 0.928 nan 8.290 nan 0.000 0.579 374 S N -0.931 114.850 115.700 0.135 0.000 2.595 374 S HA 0.724 5.194 4.470 -0.000 0.000 0.281 374 S C -1.557 172.930 174.600 -0.190 0.000 1.117 374 S CA -0.441 57.775 58.200 0.027 0.000 0.873 374 S CB 2.212 65.399 63.200 -0.022 0.000 1.108 374 S HN 0.808 nan 8.310 nan 0.000 0.477 375 E N 1.169 121.112 120.200 -0.429 0.000 2.522 375 E HA 0.231 4.581 4.350 -0.000 0.000 0.315 375 E C -0.786 175.566 176.600 -0.413 0.000 0.917 375 E CA -0.484 55.565 56.400 -0.585 0.000 0.796 375 E CB 0.524 29.422 29.700 -1.337 0.000 1.323 375 E HN 0.467 nan 8.360 nan 0.000 0.397 376 D N 3.423 123.685 120.400 -0.231 0.000 2.378 376 D HA -0.064 4.576 4.640 -0.000 0.000 0.222 376 D C 1.415 177.641 176.300 -0.123 0.000 0.980 376 D CA 0.920 54.827 54.000 -0.155 0.000 0.907 376 D CB -0.168 40.570 40.800 -0.104 0.000 0.899 376 D HN 0.414 nan 8.370 nan 0.000 0.527 377 A N 0.897 123.655 122.820 -0.104 0.000 2.032 377 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 377 A C 2.314 179.875 177.584 -0.038 0.000 1.165 377 A CA 2.446 54.502 52.037 0.032 0.000 0.645 377 A CB -1.383 17.752 19.000 0.224 0.000 0.807 377 A HN 0.482 nan 8.150 nan 0.000 0.453 378 T N -1.248 113.232 114.554 -0.122 0.000 2.778 378 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 378 T C 1.062 175.692 174.700 -0.117 0.000 1.050 378 T CA 1.027 63.065 62.100 -0.104 0.000 1.137 378 T CB -0.784 68.012 68.868 -0.120 0.000 0.860 378 T HN 0.329 nan 8.240 nan 0.000 0.468 383 R N 1.282 121.695 120.500 -0.146 0.000 2.080 383 R HA -0.071 4.269 4.340 -0.000 0.000 0.236 383 R C 1.829 178.042 176.300 -0.144 0.000 1.137 383 R CA 2.677 58.697 56.100 -0.133 0.000 0.943 383 R CB -1.167 29.048 30.300 -0.142 0.000 0.846 383 R HN 0.360 nan 8.270 nan 0.000 0.431 384 V N 1.054 120.846 119.914 -0.203 0.000 2.287 384 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 384 V C 2.362 178.365 176.094 -0.152 0.000 1.053 384 V CA 2.370 64.555 62.300 -0.191 0.000 1.027 384 V CB -0.544 31.131 31.823 -0.246 0.000 0.646 384 V HN 0.482 nan 8.190 nan 0.000 0.447 385 Q N -0.421 119.302 119.800 -0.129 0.000 2.124 385 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 385 Q C 2.332 178.285 176.000 -0.077 0.000 0.977 385 Q CA 1.609 57.358 55.803 -0.090 0.000 0.850 385 Q CB -0.405 28.300 28.738 -0.055 0.000 0.901 385 Q HN 0.686 nan 8.270 nan 0.000 0.429 386 A N 1.169 123.944 122.820 -0.076 0.000 2.015 386 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 386 A C 1.693 179.241 177.584 -0.062 0.000 1.163 386 A CA 0.998 52.999 52.037 -0.060 0.000 0.646 386 A CB -0.142 18.824 19.000 -0.057 0.000 0.806 386 A HN 0.186 nan 8.150 nan 0.000 0.448 387 R N -1.503 118.950 120.500 -0.078 0.000 2.388 387 R HA 0.286 4.626 4.340 -0.000 0.000 0.247 387 R C 1.008 177.257 176.300 -0.085 0.000 0.931 387 R CA 0.489 56.544 56.100 -0.075 0.000 1.082 387 R CB 0.135 30.388 30.300 -0.079 0.000 1.135 387 R HN 0.611 nan 8.270 nan 0.000 0.525 388 G N -0.010 108.736 108.800 -0.090 0.000 2.159 388 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 388 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 388 G C 0.294 175.101 174.900 -0.154 0.000 0.986 388 G CA -0.311 44.730 45.100 -0.098 0.000 0.651 388 G HN 0.526 nan 8.290 nan 0.000 0.523 389 G N -0.903 107.781 108.800 -0.194 0.000 2.531 389 G HA2 0.751 4.711 3.960 -0.000 0.000 0.313 389 G HA3 0.751 4.711 3.960 -0.000 0.000 0.313 389 G C -0.077 174.655 174.900 -0.280 0.000 1.238 389 G CA -1.005 43.905 45.100 -0.316 0.000 0.994 389 G HN 0.610 nan 8.290 nan 0.000 0.493 390 L N -0.251 120.724 121.223 -0.413 0.000 2.330 390 L HA 0.796 5.136 4.340 -0.000 0.000 0.271 390 L C 0.255 176.984 176.870 -0.235 0.000 1.013 390 L CA -0.858 53.840 54.840 -0.237 0.000 0.816 390 L CB 1.967 43.938 42.059 -0.148 0.000 1.287 390 L HN 0.698 nan 8.230 nan 0.000 0.435 391 A N 1.346 124.184 122.820 0.031 0.000 2.604 391 A HA 0.817 5.137 4.320 -0.000 0.000 0.295 391 A C -1.071 176.789 177.584 0.460 0.000 1.067 391 A CA -0.406 51.770 52.037 0.231 0.000 0.683 391 A CB 2.205 21.307 19.000 0.170 0.000 1.281 391 A HN 0.567 nan 8.150 nan 0.000 0.407 392 S N -0.775 115.272 115.700 0.578 0.000 2.615 392 S HA 0.739 5.209 4.470 -0.000 0.000 0.269 392 S C -1.745 173.116 174.600 0.435 0.000 1.161 392 S CA -0.341 58.141 58.200 0.470 0.000 0.817 392 S CB 1.115 64.564 63.200 0.415 0.000 1.131 392 S HN 1.363 nan 8.310 nan 0.000 0.467 396 F N 3.882 123.825 119.950 -0.011 0.000 2.385 396 F HA 0.592 5.119 4.527 0.000 0.000 0.360 396 F C 1.187 176.971 175.800 -0.028 0.000 1.122 396 F CA -0.361 57.625 58.000 -0.025 0.000 1.090 396 F CB 1.736 40.714 39.000 -0.036 0.000 1.150 396 F HN 0.441 nan 8.300 nan 0.000 0.472 397 G N 1.934 110.797 108.800 0.104 0.000 2.606 397 G HA2 0.523 4.483 3.960 -0.000 0.000 0.252 397 G HA3 0.523 4.483 3.960 -0.000 0.000 0.252 397 G C -0.464 174.473 174.900 0.061 0.000 1.206 397 G CA -0.043 45.095 45.100 0.063 0.000 0.861 397 G HN 0.577 nan 8.290 nan 0.000 0.561 414 S N 1.556 117.227 115.700 -0.047 0.000 2.578 414 S HA 0.261 4.731 4.470 -0.000 0.000 0.231 414 S C 0.270 174.834 174.600 -0.060 0.000 0.994 414 S CA -0.019 58.149 58.200 -0.053 0.000 0.956 414 S CB 0.237 63.411 63.200 -0.044 0.000 0.870 414 S HN 0.294 nan 8.310 nan 0.000 0.494 418 V N 1.423 121.263 119.914 -0.123 0.000 2.343 418 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 418 V C 2.984 178.949 176.094 -0.216 0.000 1.051 418 V CA 2.585 64.824 62.300 -0.102 0.000 1.036 418 V CB -1.220 30.583 31.823 -0.032 0.000 0.654 418 V HN 0.733 nan 8.190 nan 0.000 0.451 419 A N -0.174 122.316 122.820 -0.549 0.000 1.902 419 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 419 A C 2.397 179.751 177.584 -0.384 0.000 1.181 419 A CA 2.048 53.492 52.037 -0.989 0.000 0.623 419 A CB -0.639 17.614 19.000 -1.245 0.000 0.818 419 A HN 0.338 nan 8.150 nan 0.000 0.443 420 V N -0.101 119.673 119.914 -0.233 0.000 2.358 420 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 420 V C 2.524 178.586 176.094 -0.053 0.000 1.047 420 V CA 2.275 64.510 62.300 -0.108 0.000 1.035 420 V CB -0.663 31.136 31.823 -0.039 0.000 0.658 420 V HN 0.793 nan 8.190 nan 0.000 0.452 421 E N 0.036 120.211 120.200 -0.042 0.000 2.051 421 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 421 E C 2.208 178.808 176.600 0.001 0.000 0.991 421 E CA 1.955 58.352 56.400 -0.005 0.000 0.799 421 E CB -0.163 29.533 29.700 -0.006 0.000 0.748 421 E HN 0.619 nan 8.360 nan 0.000 0.449 422 T N 1.581 116.143 114.554 0.014 0.000 2.622 422 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 422 T C 1.934 176.665 174.700 0.050 0.000 1.047 422 T CA 1.580 63.717 62.100 0.062 0.000 1.159 422 T CB -0.387 68.616 68.868 0.224 0.000 0.863 422 T HN 0.151 nan 8.240 nan 0.000 0.422 423 L N 0.822 122.071 121.223 0.043 0.000 2.079 423 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 423 L C 2.986 179.816 176.870 -0.066 0.000 1.081 423 L CA 1.219 56.049 54.840 -0.016 0.000 0.752 423 L CB -0.668 41.284 42.059 -0.177 0.000 0.896 423 L HN 0.267 nan 8.230 nan 0.000 0.433 424 A N -0.427 122.368 122.820 -0.041 0.000 1.930 424 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 424 A C 2.400 180.024 177.584 0.066 0.000 1.175 424 A CA 1.078 53.126 52.037 0.017 0.000 0.627 424 A CB -0.299 18.734 19.000 0.055 0.000 0.815 424 A HN 0.228 nan 8.150 nan 0.000 0.443 425 R N -0.334 120.191 120.500 0.040 0.000 2.062 425 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 425 R C 2.154 178.504 176.300 0.082 0.000 1.136 425 R CA 1.426 57.544 56.100 0.031 0.000 0.948 425 R CB -1.421 28.862 30.300 -0.027 0.000 0.845 425 R HN 0.395 nan 8.270 nan 0.000 0.430 426 V N 1.593 121.557 119.914 0.083 0.000 2.277 426 V HA -0.326 3.794 4.120 -0.000 0.000 0.253 426 V C 2.548 178.924 176.094 0.471 0.000 1.067 426 V CA 2.247 64.676 62.300 0.215 0.000 1.047 426 V CB -0.921 31.067 31.823 0.275 0.000 0.649 426 V HN 0.398 nan 8.190 nan 0.000 0.447 427 A N -0.625 122.440 122.820 0.408 0.000 1.855 427 A HA -0.035 4.285 4.320 -0.000 0.000 0.213 427 A C 2.164 179.971 177.584 0.373 0.000 1.195 427 A CA 1.496 53.790 52.037 0.427 0.000 0.610 427 A CB -0.464 18.782 19.000 0.411 0.000 0.837 427 A HN 0.485 nan 8.150 nan 0.000 0.444 428 L N -0.047 121.362 121.223 0.310 0.000 2.093 428 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 428 L C 1.082 178.122 176.870 0.283 0.000 1.085 428 L CA 0.945 55.976 54.840 0.319 0.000 0.755 428 L CB -0.488 41.673 42.059 0.171 0.000 0.904 428 L HN 0.304 nan 8.230 nan 0.000 0.435 429 N N -0.284 118.530 118.700 0.189 0.000 2.362 429 N HA 0.032 4.772 4.740 -0.000 0.000 0.211 429 N C -0.011 175.525 175.510 0.044 0.000 1.170 429 N CA -0.005 53.119 53.050 0.123 0.000 0.828 429 N CB -0.137 38.397 38.487 0.079 0.000 1.034 429 N HN 0.083 nan 8.380 nan 0.000 0.475 430 F N 2.248 121.991 119.950 -0.346 0.000 2.563 430 F HA 0.148 4.675 4.527 -0.000 0.000 0.363 430 F C -1.642 173.564 175.800 -0.990 0.000 1.123 430 F CA -1.870 55.631 58.000 -0.832 0.000 1.307 430 F CB 0.863 39.027 39.000 -1.394 0.000 1.115 430 F HN -0.048 nan 8.300 nan 0.000 0.592 431 P HA 0.042 nan 4.420 nan 0.000 0.230 431 P C -0.176 176.907 177.300 -0.362 0.000 1.791 431 P CA 0.311 62.989 63.100 -0.703 0.000 1.020 431 P CB -0.479 30.799 31.700 -0.705 0.000 1.977 432 W N -0.127 121.262 121.300 0.149 0.000 2.296 432 W HA -0.229 4.431 4.660 0.000 0.000 0.296 432 W C 2.115 178.711 176.519 0.128 0.000 1.220 432 W CA 0.852 58.340 57.345 0.239 0.000 1.223 432 W CB -0.741 28.821 29.460 0.171 0.000 1.139 432 W HN 0.298 nan 8.180 nan 0.000 0.534 433 Q N -0.020 119.921 119.800 0.235 0.000 2.178 433 Q HA -0.008 4.332 4.340 -0.000 0.000 0.197 433 Q C 2.458 178.493 176.000 0.059 0.000 0.998 433 Q CA 1.048 56.935 55.803 0.141 0.000 0.845 433 Q CB -0.796 28.011 28.738 0.114 0.000 0.943 433 Q HN 0.353 nan 8.270 nan 0.000 0.514 434 R N 0.430 120.932 120.500 0.002 0.000 2.134 434 R HA -0.141 4.199 4.340 -0.000 0.000 0.248 434 R C 1.340 177.600 176.300 -0.066 0.000 1.143 434 R CA 1.281 57.360 56.100 -0.035 0.000 0.957 434 R CB -0.933 29.329 30.300 -0.062 0.000 0.867 434 R HN 0.384 nan 8.270 nan 0.000 0.441 435 G N 0.126 108.826 108.800 -0.167 0.000 2.499 435 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.232 435 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.232 435 G C -0.088 174.640 174.900 -0.287 0.000 1.251 435 G CA 0.197 45.169 45.100 -0.213 0.000 0.917 435 G HN 0.836 nan 8.290 nan 0.000 0.580 436 V N 0.000 119.844 119.914 -0.116 0.000 2.409 436 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 436 V CA 0.000 62.270 62.300 -0.050 0.000 1.235 436 V CB 0.000 31.848 31.823 0.042 0.000 1.184 436 V HN 0.000 nan 8.190 nan 0.000 0.556