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 2dsj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNPVAFIREK REGKKHRRED LEAFLLGYLR DEVPDYQVSA WLMAAFLRGL DATA SEQUENCE DPEETLWLTE TMARSGKVLD LSGLPHPVDK HSSGGVGDKV SLVVGPILAA DATA SEQUENCE SGCTFAKMSG RGLAHTGGTI DKLESVPGWR GEMTEAEFLE RARRVGLVIA DATA SEQUENCE AQSPDLAPLD GKLYALRDVT ATVESVPLIA SSIMSKKLAA GARSIVLDVK DATA SEQUENCE VGRGAFMKTL EEARLLAKTM VAIGQGAGRR VRALLTSMEA PLGRAVGNAI DATA SEQUENCE EVREAIEALK GEGPGDLLEV ALALAEEALR LEGLDPALAR KALEGGAALE DATA SEQUENCE KFRAFLEAQG GDPRAVEDFS LLPLAEEHPL RAEREGVVRE VDAYKVGLAV DATA SEQUENCE LALGGGRKRK GEPIDHGVGV YLLKKPGDRV ERGEALALVY HRRRGLEEAL DATA SEQUENCE GHLREAYALG EEAHPAPLVL EAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.063 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.664 32.600 0.106 0.000 1.302 2 N N 4.249 122.996 118.700 0.078 0.000 2.492 2 N HA 0.220 4.961 4.740 0.001 0.000 0.260 2 N C -2.197 173.398 175.510 0.140 0.000 1.215 2 N CA -0.709 52.394 53.050 0.089 0.000 0.923 2 N CB 1.455 39.990 38.487 0.081 0.000 1.092 2 N HN 0.381 nan 8.380 nan 0.000 0.448 3 P HA -0.139 nan 4.420 nan 0.000 0.216 3 P C 1.409 178.865 177.300 0.260 0.000 1.153 3 P CA 0.931 64.212 63.100 0.301 0.000 0.858 3 P CB 0.297 32.170 31.700 0.289 0.000 0.789 4 V N -0.120 119.910 119.914 0.194 0.000 2.407 4 V HA -0.243 3.878 4.120 0.001 0.000 0.248 4 V C 2.406 178.578 176.094 0.131 0.000 1.055 4 V CA 2.165 64.563 62.300 0.163 0.000 1.049 4 V CB -1.712 30.189 31.823 0.130 0.000 0.662 4 V HN 0.110 nan 8.190 nan 0.000 0.455 5 A N -0.695 122.200 122.820 0.124 0.000 1.930 5 A HA -0.184 4.136 4.320 0.001 0.000 0.217 5 A C 2.079 179.728 177.584 0.109 0.000 1.175 5 A CA 1.647 53.745 52.037 0.102 0.000 0.627 5 A CB -0.617 18.442 19.000 0.097 0.000 0.815 5 A HN 0.500 nan 8.150 nan 0.000 0.443 6 F N 0.751 120.669 119.950 -0.054 0.000 2.113 6 F HA -0.127 4.400 4.527 0.001 0.000 0.297 6 F C 1.964 177.731 175.800 -0.056 0.000 1.103 6 F CA 1.639 59.537 58.000 -0.170 0.000 1.248 6 F CB -0.239 38.432 39.000 -0.549 0.000 0.999 6 F HN 0.176 nan 8.300 nan 0.000 0.475 7 I N 0.044 120.631 120.570 0.028 0.000 2.163 7 I HA -0.330 3.841 4.170 0.001 0.000 0.243 7 I C 2.668 178.823 176.117 0.064 0.000 1.085 7 I CA 1.718 63.091 61.300 0.122 0.000 1.347 7 I CB -0.620 37.497 38.000 0.194 0.000 1.044 7 I HN 0.073 nan 8.210 nan 0.000 0.408 8 R N 1.106 121.636 120.500 0.049 0.000 2.091 8 R HA -0.258 4.082 4.340 0.001 0.000 0.238 8 R C 2.251 178.540 176.300 -0.017 0.000 1.136 8 R CA 2.013 58.126 56.100 0.022 0.000 0.959 8 R CB -0.246 30.073 30.300 0.032 0.000 0.856 8 R HN 0.403 nan 8.270 nan 0.000 0.437 9 E N 0.261 120.440 120.200 -0.035 0.000 2.070 9 E HA -0.281 4.070 4.350 0.001 0.000 0.197 9 E C 1.771 178.272 176.600 -0.166 0.000 1.004 9 E CA 1.729 58.079 56.400 -0.083 0.000 0.805 9 E CB 0.026 29.683 29.700 -0.070 0.000 0.744 9 E HN 0.057 nan 8.360 nan 0.000 0.451 10 K N 1.060 121.356 120.400 -0.174 0.000 2.103 10 K HA -0.083 4.238 4.320 0.001 0.000 0.204 10 K C 2.113 178.633 176.600 -0.135 0.000 1.052 10 K CA 1.205 57.358 56.287 -0.223 0.000 0.945 10 K CB -0.249 32.196 32.500 -0.093 0.000 0.722 10 K HN 0.021 nan 8.250 nan 0.000 0.443 11 R N 0.496 120.951 120.500 -0.074 0.000 2.117 11 R HA -0.116 4.224 4.340 0.001 0.000 0.243 11 R C 0.678 176.942 176.300 -0.059 0.000 1.143 11 R CA 1.565 57.632 56.100 -0.054 0.000 0.968 11 R CB -0.017 30.272 30.300 -0.019 0.000 0.863 11 R HN 0.137 nan 8.270 nan 0.000 0.444 12 E N -0.685 119.477 120.200 -0.064 0.000 2.476 12 E HA 0.054 4.405 4.350 0.001 0.000 0.191 12 E C 0.740 177.295 176.600 -0.074 0.000 1.064 12 E CA 0.688 57.053 56.400 -0.058 0.000 0.866 12 E CB 0.528 30.201 29.700 -0.046 0.000 0.952 12 E HN 0.609 nan 8.360 nan 0.000 0.492 13 G N 1.937 110.677 108.800 -0.101 0.000 2.160 13 G HA2 -0.323 3.637 3.960 0.001 0.000 0.251 13 G HA3 -0.323 3.637 3.960 0.001 0.000 0.251 13 G C 0.181 175.006 174.900 -0.125 0.000 1.008 13 G CA 0.491 45.525 45.100 -0.110 0.000 0.724 13 G HN 0.234 nan 8.290 nan 0.000 0.514 14 K N -0.211 120.095 120.400 -0.156 0.000 2.098 14 K HA 0.477 4.798 4.320 0.001 0.000 0.257 14 K C 0.457 176.919 176.600 -0.230 0.000 0.999 14 K CA -0.626 55.571 56.287 -0.151 0.000 0.924 14 K CB 1.176 33.603 32.500 -0.121 0.000 1.028 14 K HN 0.170 nan 8.250 nan 0.000 0.466 15 K N 2.106 122.421 120.400 -0.140 0.000 2.201 15 K HA 0.090 4.410 4.320 0.001 0.000 0.278 15 K C -0.451 176.131 176.600 -0.031 0.000 1.027 15 K CA -0.510 55.716 56.287 -0.103 0.000 0.909 15 K CB 0.570 33.065 32.500 -0.008 0.000 1.062 15 K HN 0.490 nan 8.250 nan 0.000 0.465 16 H N 2.654 121.802 119.070 0.131 0.000 2.603 16 H HA 0.189 4.745 4.556 0.001 0.000 0.370 16 H C -0.015 175.502 175.328 0.315 0.000 1.225 16 H CA 0.027 56.183 56.048 0.181 0.000 1.410 16 H CB 0.764 30.669 29.762 0.237 0.000 1.495 16 H HN 0.465 nan 8.280 nan 0.000 0.602 17 R N 0.869 121.594 120.500 0.374 0.000 2.349 17 R HA 0.126 4.466 4.340 0.001 0.000 0.299 17 R C 1.639 177.973 176.300 0.058 0.000 1.027 17 R CA -0.512 55.692 56.100 0.173 0.000 0.958 17 R CB 1.407 31.759 30.300 0.086 0.000 1.047 17 R HN 0.719 nan 8.270 nan 0.000 0.468 18 R N 1.649 121.906 120.500 -0.405 0.000 2.127 18 R HA -0.196 4.144 4.340 0.001 0.000 0.238 18 R C 0.524 176.677 176.300 -0.245 0.000 1.134 18 R CA 1.630 57.408 56.100 -0.537 0.000 0.975 18 R CB -0.098 29.342 30.300 -1.433 0.000 0.865 18 R HN 0.512 nan 8.270 nan 0.000 0.447 19 E N 1.290 121.365 120.200 -0.209 0.000 2.077 19 E HA -0.155 4.195 4.350 0.001 0.000 0.193 19 E C 1.628 178.169 176.600 -0.097 0.000 0.989 19 E CA 1.721 58.040 56.400 -0.136 0.000 0.800 19 E CB -0.210 29.427 29.700 -0.104 0.000 0.746 19 E HN 0.456 nan 8.360 nan 0.000 0.452 20 D N -0.169 120.207 120.400 -0.040 0.000 2.149 20 D HA -0.094 4.547 4.640 0.001 0.000 0.201 20 D C 1.982 178.124 176.300 -0.263 0.000 0.972 20 D CA 0.424 54.388 54.000 -0.061 0.000 0.835 20 D CB -0.195 40.691 40.800 0.143 0.000 0.966 20 D HN 0.086 nan 8.370 nan 0.000 0.476 21 L N 1.561 122.744 121.223 -0.066 0.000 2.017 21 L HA -0.154 4.186 4.340 0.001 0.000 0.208 21 L C 2.139 178.880 176.870 -0.214 0.000 1.073 21 L CA 1.855 56.615 54.840 -0.132 0.000 0.745 21 L CB -0.562 41.622 42.059 0.208 0.000 0.894 21 L HN -0.059 nan 8.230 nan 0.000 0.432 22 E N -0.764 119.363 120.200 -0.123 0.000 2.077 22 E HA -0.214 4.137 4.350 0.001 0.000 0.193 22 E C 2.104 178.611 176.600 -0.155 0.000 0.989 22 E CA 1.101 57.437 56.400 -0.108 0.000 0.800 22 E CB -0.192 29.456 29.700 -0.086 0.000 0.746 22 E HN 0.619 nan 8.360 nan 0.000 0.452 23 A N 0.573 123.283 122.820 -0.184 0.000 1.902 23 A HA -0.192 4.129 4.320 0.001 0.000 0.217 23 A C 2.003 179.450 177.584 -0.229 0.000 1.181 23 A CA 1.378 53.307 52.037 -0.180 0.000 0.623 23 A CB -0.898 18.007 19.000 -0.159 0.000 0.818 23 A HN 0.500 nan 8.150 nan 0.000 0.443 24 F N 0.622 120.223 119.950 -0.582 0.000 2.075 24 F HA -0.136 4.392 4.527 0.001 0.000 0.297 24 F C 1.975 177.509 175.800 -0.443 0.000 1.113 24 F CA 1.875 59.456 58.000 -0.699 0.000 1.218 24 F CB -0.336 37.764 39.000 -1.499 0.000 0.984 24 F HN 0.137 nan 8.300 nan 0.000 0.472 25 L N -0.239 120.793 121.223 -0.318 0.000 2.046 25 L HA -0.226 4.114 4.340 0.001 0.000 0.208 25 L C 2.425 179.224 176.870 -0.119 0.000 1.077 25 L CA 1.074 55.795 54.840 -0.199 0.000 0.747 25 L CB -0.805 41.209 42.059 -0.075 0.000 0.896 25 L HN 0.222 nan 8.230 nan 0.000 0.432 26 L N -0.511 120.631 121.223 -0.135 0.000 2.217 26 L HA -0.057 4.283 4.340 0.001 0.000 0.211 26 L C 2.625 179.412 176.870 -0.138 0.000 1.107 26 L CA 0.953 55.726 54.840 -0.111 0.000 0.783 26 L CB -0.997 41.004 42.059 -0.098 0.000 0.919 26 L HN 0.308 nan 8.230 nan 0.000 0.442 27 G N -0.695 107.993 108.800 -0.187 0.000 2.408 27 G HA2 -0.337 3.623 3.960 0.001 0.000 0.217 27 G HA3 -0.337 3.623 3.960 0.001 0.000 0.217 27 G C 1.476 176.273 174.900 -0.172 0.000 1.150 27 G CA 0.438 45.424 45.100 -0.190 0.000 0.776 27 G HN 0.321 nan 8.290 nan 0.000 0.542 28 Y N 0.933 121.014 120.300 -0.364 0.000 2.200 28 Y HA -0.014 4.536 4.550 0.001 0.000 0.290 28 Y C 2.375 178.161 175.900 -0.190 0.000 1.137 28 Y CA 1.087 58.998 58.100 -0.316 0.000 1.163 28 Y CB -0.440 37.800 38.460 -0.367 0.000 0.988 28 Y HN 0.122 nan 8.280 nan 0.000 0.518 29 L N 1.108 122.180 121.223 -0.252 0.000 2.042 29 L HA -0.155 4.185 4.340 0.001 0.000 0.210 29 L C 1.949 178.674 176.870 -0.242 0.000 1.076 29 L CA 1.856 56.524 54.840 -0.287 0.000 0.749 29 L CB -0.579 41.391 42.059 -0.149 0.000 0.893 29 L HN 0.158 nan 8.230 nan 0.000 0.432 30 R N -0.205 120.187 120.500 -0.180 0.000 2.320 30 R HA 0.042 4.382 4.340 0.001 0.000 0.211 30 R C -0.253 175.963 176.300 -0.141 0.000 0.931 30 R CA 0.487 56.503 56.100 -0.140 0.000 1.071 30 R CB -0.225 30.010 30.300 -0.108 0.000 1.025 30 R HN 0.345 nan 8.270 nan 0.000 0.495 31 D N 0.860 121.151 120.400 -0.182 0.000 2.800 31 D HA -0.174 4.466 4.640 0.001 0.000 0.232 31 D C 0.180 176.417 176.300 -0.105 0.000 1.137 31 D CA 1.044 54.956 54.000 -0.147 0.000 0.718 31 D CB -0.788 39.938 40.800 -0.123 0.000 1.084 31 D HN 0.526 nan 8.370 nan 0.000 0.432 32 E N -0.763 119.369 120.200 -0.112 0.000 2.364 32 E HA 0.093 4.444 4.350 0.001 0.000 0.196 32 E C 0.687 177.219 176.600 -0.114 0.000 0.990 32 E CA 0.338 56.679 56.400 -0.099 0.000 0.886 32 E CB 0.945 30.584 29.700 -0.100 0.000 0.866 32 E HN 0.049 nan 8.360 nan 0.000 0.493 33 V N 3.517 123.345 119.914 -0.143 0.000 2.417 33 V HA 0.246 4.366 4.120 0.001 0.000 0.291 33 V C -2.377 173.618 176.094 -0.166 0.000 1.024 33 V CA -2.188 59.991 62.300 -0.201 0.000 0.861 33 V CB 1.404 32.990 31.823 -0.395 0.000 0.985 33 V HN -0.034 nan 8.190 nan 0.000 0.436 34 P HA 0.131 nan 4.420 nan 0.000 0.269 34 P C 0.130 177.213 177.300 -0.362 0.000 1.209 34 P CA -0.243 62.601 63.100 -0.427 0.000 0.776 34 P CB 0.552 31.635 31.700 -1.028 0.000 0.876 35 D N 1.117 121.425 120.400 -0.153 0.000 2.182 35 D HA -0.263 4.377 4.640 0.001 0.000 0.201 35 D C 1.459 177.732 176.300 -0.045 0.000 0.986 35 D CA 1.692 55.678 54.000 -0.023 0.000 0.847 35 D CB -1.336 39.529 40.800 0.108 0.000 0.942 35 D HN 0.562 nan 8.370 nan 0.000 0.467 36 Y N -0.210 120.124 120.300 0.057 0.000 2.439 36 Y HA 0.128 4.679 4.550 0.001 0.000 0.292 36 Y C 1.960 177.914 175.900 0.090 0.000 1.130 36 Y CA 0.554 58.690 58.100 0.061 0.000 1.254 36 Y CB -0.850 37.642 38.460 0.054 0.000 1.000 36 Y HN -0.021 nan 8.280 nan 0.000 0.554 37 Q N 0.274 120.061 119.800 -0.021 0.000 2.212 37 Q HA -0.010 4.330 4.340 0.001 0.000 0.199 37 Q C 2.279 178.454 176.000 0.293 0.000 0.950 37 Q CA 1.204 57.121 55.803 0.191 0.000 0.863 37 Q CB 0.048 28.854 28.738 0.112 0.000 0.944 37 Q HN 0.474 nan 8.270 nan 0.000 0.465 38 V N 1.129 121.083 119.914 0.067 0.000 2.453 38 V HA -0.218 3.902 4.120 0.001 0.000 0.247 38 V C 2.429 178.653 176.094 0.217 0.000 1.048 38 V CA 1.934 64.293 62.300 0.097 0.000 1.049 38 V CB -0.558 30.928 31.823 -0.561 0.000 0.672 38 V HN 0.426 nan 8.190 nan 0.000 0.457 39 S N 1.212 116.982 115.700 0.116 0.000 2.402 39 S HA -0.096 4.375 4.470 0.001 0.000 0.229 39 S C 2.094 176.778 174.600 0.139 0.000 1.021 39 S CA 1.206 59.473 58.200 0.113 0.000 0.974 39 S CB -0.437 62.814 63.200 0.086 0.000 0.800 39 S HN 0.538 nan 8.310 nan 0.000 0.484 40 A N 0.935 123.871 122.820 0.194 0.000 1.898 40 A HA -0.007 4.313 4.320 0.001 0.000 0.216 40 A C 1.891 179.586 177.584 0.186 0.000 1.181 40 A CA 1.304 53.444 52.037 0.171 0.000 0.620 40 A CB -1.393 17.732 19.000 0.207 0.000 0.819 40 A HN 0.807 nan 8.150 nan 0.000 0.442 41 W N 0.649 122.033 121.300 0.141 0.000 2.381 41 W HA -0.107 4.553 4.660 0.001 0.000 0.301 41 W C 1.674 178.266 176.519 0.123 0.000 1.205 41 W CA 1.684 59.102 57.345 0.122 0.000 1.285 41 W CB -0.360 29.219 29.460 0.199 0.000 1.133 41 W HN 0.240 nan 8.180 nan 0.000 0.521 42 L N 0.249 121.476 121.223 0.006 0.000 2.079 42 L HA -0.262 4.079 4.340 0.001 0.000 0.210 42 L C 2.532 179.295 176.870 -0.178 0.000 1.081 42 L CA 1.672 56.387 54.840 -0.210 0.000 0.752 42 L CB -0.836 41.251 42.059 0.045 0.000 0.896 42 L HN 0.101 nan 8.230 nan 0.000 0.433 43 M N -0.206 119.340 119.600 -0.090 0.000 2.175 43 M HA -0.094 4.386 4.480 0.001 0.000 0.264 43 M C 2.214 178.459 176.300 -0.092 0.000 1.063 43 M CA 1.952 57.202 55.300 -0.083 0.000 1.119 43 M CB -0.460 32.094 32.600 -0.077 0.000 1.377 43 M HN 0.167 nan 8.290 nan 0.000 0.415 44 A N -0.408 122.318 122.820 -0.155 0.000 1.898 44 A HA 0.125 4.445 4.320 0.001 0.000 0.216 44 A C 2.351 179.788 177.584 -0.244 0.000 1.181 44 A CA 1.804 53.740 52.037 -0.168 0.000 0.620 44 A CB -1.346 17.562 19.000 -0.153 0.000 0.819 44 A HN 0.598 nan 8.150 nan 0.000 0.442 45 A N -1.262 121.273 122.820 -0.476 0.000 1.933 45 A HA -0.023 4.297 4.320 0.001 0.000 0.218 45 A C 2.013 179.466 177.584 -0.217 0.000 1.175 45 A CA 1.573 53.324 52.037 -0.475 0.000 0.628 45 A CB -0.688 17.762 19.000 -0.917 0.000 0.814 45 A HN 0.589 nan 8.150 nan 0.000 0.444 46 F N 0.420 120.200 119.950 -0.283 0.000 2.102 46 F HA -0.101 4.427 4.527 0.001 0.000 0.298 46 F C 1.885 177.602 175.800 -0.139 0.000 1.105 46 F CA 1.680 59.575 58.000 -0.175 0.000 1.239 46 F CB -0.218 38.697 39.000 -0.142 0.000 0.991 46 F HN 0.129 nan 8.300 nan 0.000 0.474 47 L N -0.777 120.571 121.223 0.209 0.000 2.209 47 L HA -0.025 4.315 4.340 0.001 0.000 0.207 47 L C 2.128 178.999 176.870 0.003 0.000 1.094 47 L CA 0.505 55.413 54.840 0.114 0.000 0.790 47 L CB -0.360 41.723 42.059 0.040 0.000 0.932 47 L HN -0.071 nan 8.230 nan 0.000 0.447 48 R N 0.265 120.732 120.500 -0.054 0.000 2.290 48 R HA 0.301 4.641 4.340 0.001 0.000 0.197 48 R C 0.653 176.892 176.300 -0.101 0.000 0.913 48 R CA 0.553 56.605 56.100 -0.081 0.000 1.040 48 R CB -0.057 30.181 30.300 -0.104 0.000 0.992 48 R HN 0.286 nan 8.270 nan 0.000 0.500 49 G N 1.079 109.808 108.800 -0.119 0.000 2.814 49 G HA2 -0.235 3.726 3.960 0.001 0.000 0.677 49 G HA3 -0.235 3.726 3.960 0.001 0.000 0.677 49 G C -0.876 173.949 174.900 -0.126 0.000 1.429 49 G CA -0.748 44.273 45.100 -0.133 0.000 0.868 49 G HN 0.124 nan 8.290 nan 0.000 0.553 50 L N 1.248 122.405 121.223 -0.110 0.000 2.385 50 L HA 0.475 4.815 4.340 0.001 0.000 0.273 50 L C 0.074 176.884 176.870 -0.099 0.000 0.990 50 L CA -1.140 53.656 54.840 -0.074 0.000 0.821 50 L CB 1.979 44.025 42.059 -0.022 0.000 1.279 50 L HN 0.956 nan 8.230 nan 0.000 0.412 51 D N 2.320 122.650 120.400 -0.118 0.000 2.411 51 D HA 0.258 4.898 4.640 0.001 0.000 0.251 51 D C -2.119 174.075 176.300 -0.177 0.000 1.201 51 D CA -1.956 51.962 54.000 -0.138 0.000 0.996 51 D CB 0.430 41.148 40.800 -0.138 0.000 1.101 51 D HN 0.107 nan 8.370 nan 0.000 0.504 52 P HA -0.172 nan 4.420 nan 0.000 0.216 52 P C 0.980 178.105 177.300 -0.292 0.000 1.154 52 P CA 1.600 64.594 63.100 -0.177 0.000 0.865 52 P CB 0.186 31.807 31.700 -0.132 0.000 0.789 53 E N -0.326 119.617 120.200 -0.428 0.000 2.028 53 E HA -0.169 4.181 4.350 0.001 0.000 0.191 53 E C 1.978 177.794 176.600 -1.306 0.000 0.988 53 E CA 1.263 57.153 56.400 -0.850 0.000 0.799 53 E CB -0.876 28.300 29.700 -0.874 0.000 0.755 53 E HN 0.381 nan 8.360 nan 0.000 0.447 54 E N -0.321 119.353 120.200 -0.876 0.000 2.085 54 E HA -0.162 4.188 4.350 0.001 0.000 0.194 54 E C 1.972 178.489 176.600 -0.138 0.000 0.994 54 E CA 1.608 57.764 56.400 -0.406 0.000 0.801 54 E CB -0.152 29.507 29.700 -0.068 0.000 0.743 54 E HN 0.207 nan 8.360 nan 0.000 0.453 55 T N 1.531 115.988 114.554 -0.160 0.000 2.788 55 T HA -0.145 4.206 4.350 0.001 0.000 0.268 55 T C 1.827 176.508 174.700 -0.031 0.000 1.044 55 T CA 0.874 62.943 62.100 -0.052 0.000 1.139 55 T CB -0.183 68.640 68.868 -0.075 0.000 0.867 55 T HN 0.055 nan 8.240 nan 0.000 0.454 56 L N 0.118 121.264 121.223 -0.128 0.000 2.056 56 L HA 0.026 4.366 4.340 0.001 0.000 0.207 56 L C 1.994 178.948 176.870 0.141 0.000 1.078 56 L CA 1.576 56.397 54.840 -0.033 0.000 0.749 56 L CB -0.847 41.161 42.059 -0.085 0.000 0.901 56 L HN 0.303 nan 8.230 nan 0.000 0.433 57 W N -0.534 120.808 121.300 0.070 0.000 2.358 57 W HA -0.153 4.507 4.660 0.001 0.000 0.303 57 W C 2.457 179.025 176.519 0.082 0.000 1.208 57 W CA 0.992 58.380 57.345 0.072 0.000 1.274 57 W CB -1.353 28.159 29.460 0.086 0.000 1.138 57 W HN 0.270 nan 8.180 nan 0.000 0.515 58 L N 0.909 122.326 121.223 0.323 0.000 2.017 58 L HA -0.170 4.171 4.340 0.001 0.000 0.208 58 L C 2.209 179.188 176.870 0.181 0.000 1.073 58 L CA 2.566 57.559 54.840 0.255 0.000 0.745 58 L CB -1.326 40.897 42.059 0.272 0.000 0.894 58 L HN -0.148 nan 8.230 nan 0.000 0.432 59 T N -0.299 114.342 114.554 0.144 0.000 2.684 59 T HA -0.200 4.150 4.350 0.001 0.000 0.267 59 T C 1.685 176.443 174.700 0.096 0.000 1.036 59 T CA 1.908 64.067 62.100 0.099 0.000 1.148 59 T CB -0.303 68.604 68.868 0.066 0.000 0.863 59 T HN 0.502 nan 8.240 nan 0.000 0.436 60 E N 0.577 120.848 120.200 0.119 0.000 2.077 60 E HA -0.102 4.249 4.350 0.001 0.000 0.193 60 E C 2.492 179.140 176.600 0.080 0.000 0.989 60 E CA 1.370 57.829 56.400 0.099 0.000 0.800 60 E CB -0.329 29.446 29.700 0.125 0.000 0.746 60 E HN 0.395 nan 8.360 nan 0.000 0.452 61 T N 1.293 115.905 114.554 0.097 0.000 2.746 61 T HA -0.151 4.199 4.350 0.001 0.000 0.267 61 T C 1.904 176.636 174.700 0.053 0.000 1.039 61 T CA 1.217 63.355 62.100 0.064 0.000 1.142 61 T CB -0.101 68.809 68.868 0.070 0.000 0.866 61 T HN 0.138 nan 8.240 nan 0.000 0.444 62 M N 0.731 120.375 119.600 0.074 0.000 2.200 62 M HA 0.045 4.525 4.480 0.001 0.000 0.265 62 M C 2.838 179.163 176.300 0.041 0.000 1.066 62 M CA 1.196 56.535 55.300 0.065 0.000 1.127 62 M CB -0.439 32.214 32.600 0.088 0.000 1.379 62 M HN 0.283 nan 8.290 nan 0.000 0.420 63 A N 0.768 123.612 122.820 0.040 0.000 1.972 63 A HA -0.139 4.181 4.320 0.001 0.000 0.219 63 A C 2.045 179.637 177.584 0.013 0.000 1.169 63 A CA 1.463 53.514 52.037 0.024 0.000 0.635 63 A CB -0.521 18.495 19.000 0.026 0.000 0.810 63 A HN 0.479 nan 8.150 nan 0.000 0.446 64 R N 0.130 120.639 120.500 0.014 0.000 2.317 64 R HA 0.050 4.390 4.340 0.001 0.000 0.208 64 R C 1.747 178.043 176.300 -0.006 0.000 0.914 64 R CA 0.676 56.777 56.100 0.003 0.000 1.060 64 R CB -0.015 30.287 30.300 0.003 0.000 1.015 64 R HN 0.639 nan 8.270 nan 0.000 0.498 65 S N -1.000 114.698 115.700 -0.003 0.000 2.561 65 S HA 0.091 4.561 4.470 0.001 0.000 0.225 65 S C 1.024 175.611 174.600 -0.022 0.000 0.977 65 S CA 0.440 58.632 58.200 -0.013 0.000 0.926 65 S CB 0.486 63.683 63.200 -0.006 0.000 0.769 65 S HN 0.365 nan 8.310 nan 0.000 0.533 66 G N 0.738 109.526 108.800 -0.020 0.000 3.321 66 G HA2 0.396 4.356 3.960 0.001 0.000 0.169 66 G HA3 0.396 4.356 3.960 0.001 0.000 0.169 66 G C -1.332 173.550 174.900 -0.030 0.000 1.153 66 G CA -0.858 44.226 45.100 -0.027 0.000 1.007 66 G HN 0.297 nan 8.290 nan 0.000 0.668 67 K N 0.226 120.603 120.400 -0.038 0.000 2.350 67 K HA 0.494 4.815 4.320 0.001 0.000 0.279 67 K C -1.231 175.341 176.600 -0.046 0.000 1.027 67 K CA -0.185 56.073 56.287 -0.049 0.000 0.969 67 K CB 1.177 33.635 32.500 -0.070 0.000 0.954 67 K HN 0.322 nan 8.250 nan 0.000 0.474 68 V N 6.789 126.679 119.914 -0.040 0.000 2.577 68 V HA 0.407 4.527 4.120 0.001 0.000 0.303 68 V C -1.138 174.940 176.094 -0.026 0.000 1.042 68 V CA -0.840 61.443 62.300 -0.029 0.000 0.872 68 V CB 1.441 33.255 31.823 -0.015 0.000 0.998 68 V HN 0.721 nan 8.190 nan 0.000 0.423 69 L N 5.039 126.250 121.223 -0.020 0.000 2.322 69 L HA 0.627 4.968 4.340 0.001 0.000 0.279 69 L C -0.711 176.177 176.870 0.031 0.000 1.036 69 L CA -0.538 54.306 54.840 0.007 0.000 0.807 69 L CB 1.698 43.767 42.059 0.018 0.000 1.226 69 L HN 0.630 nan 8.230 nan 0.000 0.433 70 D N 3.066 123.493 120.400 0.045 0.000 2.453 70 D HA 0.324 4.964 4.640 0.001 0.000 0.238 70 D C 0.022 176.353 176.300 0.051 0.000 1.088 70 D CA -0.263 53.760 54.000 0.038 0.000 0.854 70 D CB 1.086 41.901 40.800 0.026 0.000 1.076 70 D HN 0.376 nan 8.370 nan 0.000 0.533 71 L N 2.763 124.015 121.223 0.048 0.000 2.818 71 L HA 0.106 4.446 4.340 0.001 0.000 0.243 71 L C 1.970 178.850 176.870 0.018 0.000 1.185 71 L CA -0.115 54.750 54.840 0.042 0.000 0.988 71 L CB -0.021 42.068 42.059 0.050 0.000 1.292 71 L HN 0.325 nan 8.230 nan 0.000 0.519 72 S N -0.271 115.437 115.700 0.013 0.000 2.440 72 S HA -0.129 4.341 4.470 0.001 0.000 0.238 72 S C 1.789 176.384 174.600 -0.009 0.000 1.010 72 S CA 1.155 59.356 58.200 0.001 0.000 0.972 72 S CB -0.449 62.753 63.200 0.003 0.000 0.774 72 S HN 0.475 nan 8.310 nan 0.000 0.501 73 G N 0.426 109.223 108.800 -0.004 0.000 3.042 73 G HA2 0.441 4.402 3.960 0.001 0.000 0.212 73 G HA3 0.441 4.402 3.960 0.001 0.000 0.212 73 G C 0.203 175.091 174.900 -0.019 0.000 1.166 73 G CA -0.357 44.737 45.100 -0.011 0.000 0.767 73 G HN 0.449 nan 8.290 nan 0.000 0.546 74 L N 1.414 122.625 121.223 -0.019 0.000 2.331 74 L HA 0.413 4.753 4.340 0.001 0.000 0.275 74 L C -1.966 174.876 176.870 -0.046 0.000 1.022 74 L CA -2.334 52.491 54.840 -0.024 0.000 0.812 74 L CB 2.084 44.135 42.059 -0.014 0.000 1.257 74 L HN -0.118 nan 8.230 nan 0.000 0.435 75 P HA 0.016 nan 4.420 nan 0.000 0.276 75 P C -0.751 176.535 177.300 -0.023 0.000 1.235 75 P CA -0.014 63.023 63.100 -0.104 0.000 0.772 75 P CB 0.401 32.083 31.700 -0.029 0.000 0.871 76 H N 1.170 120.253 119.070 0.022 0.000 2.262 76 H HA -0.117 4.440 4.556 0.001 0.000 0.319 76 H C -1.844 173.504 175.328 0.033 0.000 0.947 76 H CA 0.089 56.154 56.048 0.028 0.000 1.060 76 H CB -1.645 28.136 29.762 0.032 0.000 1.605 76 H HN 0.457 nan 8.280 nan 0.000 0.346 77 P HA 0.171 nan 4.420 nan 0.000 0.276 77 P C 0.420 177.758 177.300 0.064 0.000 1.264 77 P CA 0.025 63.163 63.100 0.063 0.000 0.769 77 P CB 1.350 33.068 31.700 0.030 0.000 0.840 78 V N 0.697 120.650 119.914 0.065 0.000 3.113 78 V HA 0.811 4.931 4.120 0.001 0.000 0.316 78 V C -0.825 175.234 176.094 -0.058 0.000 1.125 78 V CA -0.749 61.588 62.300 0.063 0.000 1.026 78 V CB 2.559 34.471 31.823 0.148 0.000 1.080 78 V HN 0.377 nan 8.190 nan 0.000 0.444 79 D N 0.403 120.782 120.400 -0.036 0.000 2.609 79 D HA 0.472 5.112 4.640 0.001 0.000 0.239 79 D C -1.775 174.560 176.300 0.059 0.000 1.229 79 D CA -0.456 53.445 54.000 -0.165 0.000 0.808 79 D CB 2.786 43.509 40.800 -0.129 0.000 1.448 79 D HN 0.879 nan 8.370 nan 0.000 0.433 80 K N 1.452 121.918 120.400 0.110 0.000 2.468 80 K HA 0.347 4.667 4.320 0.001 0.000 0.252 80 K C -1.756 174.944 176.600 0.167 0.000 0.932 80 K CA -0.506 55.895 56.287 0.190 0.000 0.794 80 K CB 1.624 34.291 32.500 0.278 0.000 1.241 80 K HN 0.567 nan 8.250 nan 0.000 0.428 81 H N 0.794 119.899 119.070 0.058 0.000 2.851 81 H HA 0.389 4.945 4.556 0.001 0.000 0.372 81 H C -1.430 173.920 175.328 0.037 0.000 1.158 81 H CA -0.295 55.776 56.048 0.039 0.000 1.159 81 H CB 2.217 31.989 29.762 0.018 0.000 1.757 81 H HN 0.542 nan 8.280 nan 0.000 0.546 82 S N 1.939 117.506 115.700 -0.221 0.000 2.462 82 S HA 0.215 4.685 4.470 0.001 0.000 0.294 82 S C -0.195 174.479 174.600 0.123 0.000 1.144 82 S CA -0.594 57.594 58.200 -0.020 0.000 1.088 82 S CB 1.247 64.397 63.200 -0.084 0.000 1.009 82 S HN 0.536 nan 8.310 nan 0.000 0.484 83 S N 3.036 118.825 115.700 0.148 0.000 2.448 83 S HA 0.694 5.165 4.470 0.001 0.000 0.320 83 S C 0.460 175.123 174.600 0.105 0.000 1.071 83 S CA 0.408 58.694 58.200 0.145 0.000 1.113 83 S CB -0.482 62.785 63.200 0.111 0.000 0.972 83 S HN 1.348 nan 8.310 nan 0.000 0.465 84 G N 3.306 112.179 108.800 0.122 0.000 2.698 84 G HA2 0.389 4.349 3.960 0.001 0.000 0.225 84 G HA3 0.389 4.349 3.960 0.001 0.000 0.225 84 G C 0.506 175.487 174.900 0.135 0.000 1.345 84 G CA -0.258 44.929 45.100 0.145 0.000 0.871 84 G HN 2.346 nan 8.290 nan 0.000 0.540 85 G N -3.102 105.800 108.800 0.170 0.000 2.725 85 G HA2 0.309 4.270 3.960 0.001 0.000 0.220 85 G HA3 0.309 4.270 3.960 0.001 0.000 0.220 85 G C 0.816 175.759 174.900 0.072 0.000 1.357 85 G CA 1.555 46.722 45.100 0.113 0.000 0.866 85 G HN 2.482 nan 8.290 nan 0.000 0.548 86 V N -2.924 116.993 119.914 0.006 0.000 3.006 86 V HA 0.680 4.800 4.120 0.001 0.000 0.357 86 V C 1.237 177.290 176.094 -0.069 0.000 1.377 86 V CA 0.735 62.999 62.300 -0.059 0.000 1.198 86 V CB -0.007 31.788 31.823 -0.046 0.000 1.216 86 V HN 2.917 nan 8.190 nan 0.000 0.520 87 G N 1.946 110.717 108.800 -0.049 0.000 2.636 87 G HA2 -0.158 3.802 3.960 0.001 0.000 0.261 87 G HA3 -0.158 3.802 3.960 0.001 0.000 0.261 87 G C -0.450 174.422 174.900 -0.047 0.000 1.018 87 G CA 0.139 45.206 45.100 -0.056 0.000 1.308 87 G HN 1.029 nan 8.290 nan 0.000 0.514 88 D N -0.016 120.360 120.400 -0.040 0.000 2.451 88 D HA 0.427 5.067 4.640 0.001 0.000 0.259 88 D C 1.402 177.678 176.300 -0.039 0.000 1.201 88 D CA -0.576 53.401 54.000 -0.037 0.000 1.028 88 D CB 0.582 41.362 40.800 -0.032 0.000 1.095 88 D HN 0.510 nan 8.370 nan 0.000 0.539 89 K N -0.250 120.123 120.400 -0.044 0.000 2.404 89 K HA 0.088 4.408 4.320 0.001 0.000 0.194 89 K C 1.363 177.926 176.600 -0.061 0.000 1.023 89 K CA -0.224 56.032 56.287 -0.051 0.000 1.094 89 K CB 0.099 32.563 32.500 -0.061 0.000 0.841 89 K HN 0.175 nan 8.250 nan 0.000 0.523 90 V N 1.372 121.254 119.914 -0.054 0.000 2.453 90 V HA -0.293 3.828 4.120 0.001 0.000 0.252 90 V C 1.834 177.883 176.094 -0.075 0.000 1.068 90 V CA 2.274 64.537 62.300 -0.061 0.000 1.070 90 V CB -0.366 31.432 31.823 -0.041 0.000 0.664 90 V HN 0.539 nan 8.190 nan 0.000 0.461 91 S N -0.338 115.333 115.700 -0.047 0.000 2.423 91 S HA -0.019 4.452 4.470 0.001 0.000 0.231 91 S C 1.619 176.153 174.600 -0.111 0.000 1.014 91 S CA 1.342 59.515 58.200 -0.044 0.000 0.965 91 S CB -0.302 62.940 63.200 0.069 0.000 0.785 91 S HN 0.614 nan 8.310 nan 0.000 0.495 92 L N 0.635 121.805 121.223 -0.088 0.000 2.456 92 L HA -0.005 4.336 4.340 0.001 0.000 0.224 92 L C 1.634 178.364 176.870 -0.233 0.000 1.148 92 L CA 0.504 55.283 54.840 -0.102 0.000 0.825 92 L CB -0.257 41.743 42.059 -0.098 0.000 0.937 92 L HN 0.233 nan 8.230 nan 0.000 0.450 93 V N -2.324 117.460 119.914 -0.217 0.000 3.013 93 V HA -0.028 4.093 4.120 0.001 0.000 0.238 93 V C 2.120 178.077 176.094 -0.228 0.000 1.161 93 V CA 0.414 62.578 62.300 -0.226 0.000 1.170 93 V CB 0.910 32.629 31.823 -0.173 0.000 0.917 93 V HN 0.040 nan 8.190 nan 0.000 0.478 94 V N 1.464 121.232 119.914 -0.243 0.000 2.343 94 V HA -0.156 3.964 4.120 0.001 0.000 0.247 94 V C 2.658 178.415 176.094 -0.561 0.000 1.051 94 V CA 2.403 64.526 62.300 -0.295 0.000 1.036 94 V CB -1.339 30.356 31.823 -0.213 0.000 0.654 94 V HN 0.588 nan 8.190 nan 0.000 0.451 95 G N 0.620 108.904 108.800 -0.861 0.000 2.480 95 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 95 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 95 G C -0.202 174.338 174.900 -0.600 0.000 1.200 95 G CA 1.250 45.510 45.100 -1.399 0.000 0.782 95 G HN 0.496 nan 8.290 nan 0.000 0.554 96 P HA -0.041 nan 4.420 nan 0.000 0.215 96 P C 1.955 179.192 177.300 -0.106 0.000 1.153 96 P CA 0.776 63.814 63.100 -0.103 0.000 0.853 96 P CB -0.056 31.640 31.700 -0.007 0.000 0.788 97 I N -1.504 118.976 120.570 -0.150 0.000 2.179 97 I HA -0.232 3.938 4.170 0.001 0.000 0.242 97 I C 2.259 178.322 176.117 -0.090 0.000 1.088 97 I CA 1.438 62.675 61.300 -0.105 0.000 1.357 97 I CB -0.638 37.296 38.000 -0.110 0.000 1.051 97 I HN -0.086 nan 8.210 nan 0.000 0.409 98 L N 0.440 121.584 121.223 -0.131 0.000 2.056 98 L HA -0.161 4.180 4.340 0.001 0.000 0.207 98 L C 2.849 179.716 176.870 -0.004 0.000 1.078 98 L CA 1.238 56.046 54.840 -0.054 0.000 0.749 98 L CB -0.712 41.336 42.059 -0.018 0.000 0.901 98 L HN 0.223 nan 8.230 nan 0.000 0.433 99 A N 0.068 122.878 122.820 -0.017 0.000 1.972 99 A HA -0.113 4.207 4.320 0.001 0.000 0.219 99 A C 2.322 179.921 177.584 0.026 0.000 1.169 99 A CA 1.623 53.679 52.037 0.032 0.000 0.635 99 A CB -0.553 18.464 19.000 0.029 0.000 0.810 99 A HN 0.396 nan 8.150 nan 0.000 0.446 100 A N -1.101 121.722 122.820 0.006 0.000 2.238 100 A HA 0.284 4.604 4.320 0.001 0.000 0.208 100 A C 1.632 179.220 177.584 0.006 0.000 1.177 100 A CA 1.041 53.085 52.037 0.012 0.000 0.804 100 A CB -0.234 18.771 19.000 0.008 0.000 0.823 100 A HN 0.316 nan 8.150 nan 0.000 0.482 101 S N -1.339 114.362 115.700 0.001 0.000 2.593 101 S HA 0.416 4.886 4.470 0.001 0.000 0.236 101 S C 1.218 175.816 174.600 -0.003 0.000 0.991 101 S CA 0.484 58.679 58.200 -0.008 0.000 0.963 101 S CB 0.375 63.561 63.200 -0.024 0.000 0.865 101 S HN 1.444 nan 8.310 nan 0.000 0.488 102 G N 0.589 109.406 108.800 0.028 0.000 2.175 102 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 102 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 102 G C 0.216 175.188 174.900 0.120 0.000 0.982 102 G CA -0.094 45.044 45.100 0.065 0.000 0.641 102 G HN 0.539 nan 8.290 nan 0.000 0.527 103 C N 0.424 119.781 119.300 0.094 0.000 2.349 103 C HA 0.815 5.275 4.460 0.001 0.000 0.361 103 C C 0.796 175.867 174.990 0.135 0.000 1.189 103 C CA -0.160 58.945 59.018 0.145 0.000 2.155 103 C CB 1.478 29.294 27.740 0.127 0.000 2.336 103 C HN 0.441 nan 8.230 nan 0.000 0.540 104 T N 1.770 116.406 114.554 0.136 0.000 2.756 104 T HA 0.353 4.703 4.350 0.001 0.000 0.290 104 T C -0.798 173.981 174.700 0.133 0.000 0.985 104 T CA 0.132 62.290 62.100 0.096 0.000 0.955 104 T CB 0.144 69.036 68.868 0.040 0.000 0.930 104 T HN 0.465 nan 8.240 nan 0.000 0.451 105 F N 3.966 123.903 119.950 -0.022 0.000 2.319 105 F HA 0.603 5.131 4.527 0.001 0.000 0.356 105 F C -0.045 175.728 175.800 -0.046 0.000 1.100 105 F CA -0.897 57.090 58.000 -0.022 0.000 1.220 105 F CB 0.144 39.120 39.000 -0.039 0.000 1.506 105 F HN 0.597 nan 8.300 nan 0.000 0.512 106 A N 6.826 129.549 122.820 -0.162 0.000 2.293 106 A HA 0.670 4.990 4.320 0.001 0.000 0.312 106 A C -0.892 176.710 177.584 0.030 0.000 1.309 106 A CA -0.580 51.370 52.037 -0.145 0.000 0.839 106 A CB 0.432 19.230 19.000 -0.336 0.000 1.155 106 A HN 0.716 nan 8.150 nan 0.000 0.501 107 K N 1.359 121.811 120.400 0.086 0.000 2.469 107 K HA 0.843 5.164 4.320 0.001 0.000 0.268 107 K C -1.165 175.554 176.600 0.199 0.000 1.027 107 K CA -0.923 55.416 56.287 0.088 0.000 0.893 107 K CB 1.463 33.849 32.500 -0.189 0.000 1.460 107 K HN 0.448 nan 8.250 nan 0.000 0.449 108 M N 1.661 121.317 119.600 0.093 0.000 2.227 108 M HA 0.333 4.814 4.480 0.001 0.000 0.335 108 M C -0.999 175.352 176.300 0.084 0.000 1.053 108 M CA -0.653 54.696 55.300 0.082 0.000 0.973 108 M CB 2.194 34.784 32.600 -0.018 0.000 1.623 108 M HN 0.639 nan 8.290 nan 0.000 0.434 109 S N 0.823 116.596 115.700 0.121 0.000 2.681 109 S HA 0.843 5.314 4.470 0.001 0.000 0.299 109 S C 0.105 174.756 174.600 0.086 0.000 1.113 109 S CA -0.835 57.425 58.200 0.100 0.000 1.013 109 S CB 1.942 65.220 63.200 0.129 0.000 1.076 109 S HN 0.843 nan 8.310 nan 0.000 0.534 110 G N 0.377 109.209 108.800 0.054 0.000 2.705 110 G HA2 0.647 4.607 3.960 0.001 0.000 0.299 110 G HA3 0.647 4.607 3.960 0.001 0.000 0.299 110 G C -0.900 174.027 174.900 0.045 0.000 1.315 110 G CA -0.824 44.303 45.100 0.045 0.000 1.045 110 G HN 0.565 nan 8.290 nan 0.000 0.517 111 R N -1.276 119.247 120.500 0.038 0.000 2.720 111 R HA 0.556 4.896 4.340 0.001 0.000 0.272 111 R C 0.548 176.849 176.300 0.001 0.000 0.991 111 R CA -0.440 55.679 56.100 0.032 0.000 1.010 111 R CB 1.656 31.984 30.300 0.046 0.000 1.141 111 R HN 0.620 nan 8.270 nan 0.000 0.494 112 G N 0.579 109.369 108.800 -0.017 0.000 2.599 112 G HA2 0.456 4.417 3.960 0.001 0.000 0.264 112 G HA3 0.456 4.417 3.960 0.001 0.000 0.264 112 G C -1.331 173.539 174.900 -0.051 0.000 1.200 112 G CA -0.228 44.840 45.100 -0.053 0.000 0.896 112 G HN 0.325 nan 8.290 nan 0.000 0.536 113 L N -0.094 121.075 121.223 -0.090 0.000 2.543 113 L HA 0.626 4.966 4.340 0.001 0.000 0.265 113 L C 0.591 177.385 176.870 -0.127 0.000 0.945 113 L CA 0.952 55.754 54.840 -0.065 0.000 0.869 113 L CB 1.088 43.138 42.059 -0.015 0.000 1.294 113 L HN 1.904 nan 8.230 nan 0.000 0.405 114 A N 3.460 126.243 122.820 -0.062 0.000 5.295 114 A HA -0.339 3.981 4.320 0.001 0.000 0.313 114 A C 1.243 178.767 177.584 -0.100 0.000 1.912 114 A CA 1.560 53.579 52.037 -0.031 0.000 0.714 114 A CB -1.838 17.210 19.000 0.080 0.000 1.319 114 A HN 1.616 nan 8.150 nan 0.000 0.375 115 H N 1.341 120.366 119.070 -0.074 0.000 2.559 115 H HA 0.177 4.734 4.556 0.001 0.000 0.273 115 H C 0.855 176.097 175.328 -0.144 0.000 1.000 115 H CA 1.894 57.853 56.048 -0.147 0.000 1.195 115 H CB -1.354 28.292 29.762 -0.193 0.000 1.368 115 H HN 1.165 nan 8.280 nan 0.000 0.592 116 T N -1.246 112.972 114.554 -0.559 0.000 2.875 116 T HA 0.605 4.956 4.350 0.001 0.000 0.284 116 T C 0.705 175.294 174.700 -0.184 0.000 0.995 116 T CA -0.343 61.545 62.100 -0.353 0.000 1.060 116 T CB 2.360 71.001 68.868 -0.377 0.000 0.967 116 T HN 0.355 nan 8.240 nan 0.000 0.476 117 G N -0.043 108.684 108.800 -0.121 0.000 2.531 117 G HA2 0.718 4.678 3.960 0.001 0.000 0.313 117 G HA3 0.718 4.678 3.960 0.001 0.000 0.313 117 G C -0.264 174.599 174.900 -0.061 0.000 1.238 117 G CA -0.855 44.197 45.100 -0.079 0.000 0.994 117 G HN 1.142 nan 8.290 nan 0.000 0.493 118 G N -1.893 106.886 108.800 -0.035 0.000 2.731 118 G HA2 0.439 4.399 3.960 0.001 0.000 0.298 118 G HA3 0.439 4.399 3.960 0.001 0.000 0.298 118 G C 0.459 175.360 174.900 0.003 0.000 1.424 118 G CA 0.089 45.180 45.100 -0.014 0.000 1.029 118 G HN 0.466 nan 8.290 nan 0.000 0.518 119 T N 2.282 116.843 114.554 0.011 0.000 2.803 119 T HA -0.116 4.234 4.350 0.001 0.000 0.269 119 T C 2.451 177.163 174.700 0.020 0.000 1.052 119 T CA 0.917 63.027 62.100 0.017 0.000 1.136 119 T CB -0.100 68.794 68.868 0.044 0.000 0.864 119 T HN 0.382 nan 8.240 nan 0.000 0.467 120 I N 1.919 122.538 120.570 0.082 0.000 2.252 120 I HA -0.112 4.058 4.170 0.001 0.000 0.245 120 I C 2.131 178.320 176.117 0.120 0.000 1.102 120 I CA 1.232 62.625 61.300 0.156 0.000 1.385 120 I CB -1.098 37.035 38.000 0.220 0.000 1.064 120 I HN 0.223 nan 8.210 nan 0.000 0.414 121 D N 1.185 121.645 120.400 0.100 0.000 2.117 121 D HA -0.154 4.486 4.640 0.001 0.000 0.198 121 D C 2.163 178.545 176.300 0.137 0.000 0.982 121 D CA 1.088 55.170 54.000 0.137 0.000 0.828 121 D CB -0.001 40.836 40.800 0.061 0.000 0.967 121 D HN 0.386 nan 8.370 nan 0.000 0.464 122 K N 0.453 120.872 120.400 0.033 0.000 2.026 122 K HA -0.064 4.256 4.320 0.001 0.000 0.208 122 K C 2.352 178.890 176.600 -0.104 0.000 1.048 122 K CA 0.664 56.947 56.287 -0.006 0.000 0.929 122 K CB -0.184 32.294 32.500 -0.037 0.000 0.713 122 K HN 0.120 nan 8.250 nan 0.000 0.439 123 L N 1.221 122.279 121.223 -0.275 0.000 2.201 123 L HA -0.135 4.206 4.340 0.001 0.000 0.212 123 L C 1.816 178.381 176.870 -0.508 0.000 1.105 123 L CA 1.024 55.453 54.840 -0.683 0.000 0.775 123 L CB -0.260 40.894 42.059 -1.508 0.000 0.913 123 L HN 0.202 nan 8.230 nan 0.000 0.440 124 E N -0.551 119.568 120.200 -0.136 0.000 2.516 124 E HA -0.087 4.264 4.350 0.001 0.000 0.199 124 E C 1.966 178.400 176.600 -0.276 0.000 1.069 124 E CA 0.346 56.763 56.400 0.028 0.000 0.876 124 E CB 0.087 29.869 29.700 0.137 0.000 0.843 124 E HN 0.382 nan 8.360 nan 0.000 0.530 125 S N 0.343 115.889 115.700 -0.257 0.000 2.453 125 S HA -0.027 4.443 4.470 0.001 0.000 0.231 125 S C 0.910 175.411 174.600 -0.165 0.000 1.005 125 S CA 0.193 58.238 58.200 -0.259 0.000 0.949 125 S CB 0.291 63.444 63.200 -0.079 0.000 0.774 125 S HN 0.002 nan 8.310 nan 0.000 0.510 126 V N 5.405 125.239 119.914 -0.133 0.000 2.439 126 V HA 0.167 4.287 4.120 0.001 0.000 0.271 126 V C -2.091 174.000 176.094 -0.006 0.000 1.040 126 V CA -2.034 60.223 62.300 -0.071 0.000 1.002 126 V CB 0.253 32.012 31.823 -0.108 0.000 1.000 126 V HN 0.207 nan 8.190 nan 0.000 0.477 127 P HA 0.101 nan 4.420 nan 0.000 0.262 127 P C 0.959 178.271 177.300 0.020 0.000 1.199 127 P CA 1.334 64.432 63.100 -0.004 0.000 0.763 127 P CB 0.822 32.517 31.700 -0.009 0.000 0.790 128 G N 2.755 111.567 108.800 0.020 0.000 2.299 128 G HA2 -0.264 3.696 3.960 0.001 0.000 0.237 128 G HA3 -0.264 3.696 3.960 0.001 0.000 0.237 128 G C -0.119 174.788 174.900 0.013 0.000 1.027 128 G CA -0.129 44.973 45.100 0.005 0.000 0.619 128 G HN 0.558 nan 8.290 nan 0.000 0.513 129 W N 3.386 124.613 121.300 -0.122 0.000 2.223 129 W HA 0.601 5.261 4.660 0.001 0.000 0.334 129 W C 0.695 177.157 176.519 -0.096 0.000 1.334 129 W CA 0.350 57.608 57.345 -0.145 0.000 1.246 129 W CB 0.339 29.694 29.460 -0.176 0.000 1.184 129 W HN 0.278 nan 8.180 nan 0.000 0.563 130 R N 4.026 123.946 120.500 -0.967 0.000 2.621 130 R HA 0.356 4.696 4.340 0.001 0.000 0.284 130 R C 0.686 176.196 176.300 -1.317 0.000 0.998 130 R CA -0.412 55.198 56.100 -0.816 0.000 0.895 130 R CB 1.674 31.728 30.300 -0.410 0.000 1.195 130 R HN 0.716 nan 8.270 nan 0.000 0.450 131 G N 1.280 109.563 108.800 -0.862 0.000 2.838 131 G HA2 -0.040 3.920 3.960 0.001 0.000 0.210 131 G HA3 -0.040 3.920 3.960 0.001 0.000 0.210 131 G C -0.034 174.754 174.900 -0.188 0.000 1.153 131 G CA 0.002 44.813 45.100 -0.483 0.000 0.778 131 G HN 0.388 nan 8.290 nan 0.000 0.539 132 E N 0.890 120.981 120.200 -0.182 0.000 2.289 132 E HA 0.572 4.923 4.350 0.001 0.000 0.278 132 E C 0.410 176.953 176.600 -0.096 0.000 1.032 132 E CA 0.109 56.450 56.400 -0.097 0.000 0.854 132 E CB 1.088 30.741 29.700 -0.077 0.000 1.046 132 E HN 0.498 nan 8.360 nan 0.000 0.409 133 M N -0.889 118.685 119.600 -0.044 0.000 2.643 133 M HA 0.453 4.934 4.480 0.001 0.000 0.276 133 M C -0.680 175.623 176.300 0.005 0.000 1.200 133 M CA -1.065 54.225 55.300 -0.016 0.000 0.863 133 M CB 1.657 34.271 32.600 0.023 0.000 1.711 133 M HN 0.368 nan 8.290 nan 0.000 0.492 134 T N -1.962 112.600 114.554 0.014 0.000 2.828 134 T HA 0.338 4.688 4.350 0.001 0.000 0.290 134 T C 0.652 175.381 174.700 0.049 0.000 1.019 134 T CA 0.017 62.126 62.100 0.014 0.000 1.031 134 T CB 0.993 69.867 68.868 0.010 0.000 1.001 134 T HN 0.826 nan 8.240 nan 0.000 0.531 135 E N 0.683 120.898 120.200 0.026 0.000 2.118 135 E HA -0.130 4.220 4.350 0.001 0.000 0.195 135 E C 2.432 179.102 176.600 0.116 0.000 0.992 135 E CA 1.195 57.625 56.400 0.050 0.000 0.804 135 E CB -0.430 29.276 29.700 0.011 0.000 0.741 135 E HN 0.783 nan 8.360 nan 0.000 0.458 136 A N 1.496 124.359 122.820 0.072 0.000 1.898 136 A HA -0.230 4.090 4.320 0.001 0.000 0.216 136 A C 1.943 179.571 177.584 0.073 0.000 1.181 136 A CA 1.436 53.511 52.037 0.064 0.000 0.620 136 A CB -0.361 18.659 19.000 0.033 0.000 0.819 136 A HN 0.160 nan 8.150 nan 0.000 0.442 137 E N -1.397 118.847 120.200 0.074 0.000 2.106 137 E HA -0.161 4.190 4.350 0.001 0.000 0.192 137 E C 1.739 178.397 176.600 0.097 0.000 0.984 137 E CA 1.182 57.618 56.400 0.061 0.000 0.806 137 E CB -0.273 29.451 29.700 0.040 0.000 0.750 137 E HN 0.690 nan 8.360 nan 0.000 0.458 138 F N 1.475 121.424 119.950 -0.002 0.000 2.102 138 F HA -0.182 4.345 4.527 0.001 0.000 0.298 138 F C 1.905 177.715 175.800 0.018 0.000 1.105 138 F CA 1.381 59.388 58.000 0.012 0.000 1.239 138 F CB -0.088 38.916 39.000 0.007 0.000 0.991 138 F HN -0.094 nan 8.300 nan 0.000 0.474 139 L N -0.087 121.208 121.223 0.121 0.000 2.141 139 L HA -0.150 4.190 4.340 0.001 0.000 0.209 139 L C 2.567 179.410 176.870 -0.044 0.000 1.094 139 L CA 1.312 56.158 54.840 0.011 0.000 0.763 139 L CB -0.804 41.311 42.059 0.093 0.000 0.908 139 L HN 0.194 nan 8.230 nan 0.000 0.437 140 E N 1.124 121.316 120.200 -0.014 0.000 2.047 140 E HA -0.206 4.144 4.350 0.001 0.000 0.191 140 E C 2.268 178.845 176.600 -0.039 0.000 0.987 140 E CA 1.399 57.788 56.400 -0.018 0.000 0.799 140 E CB 0.104 29.804 29.700 -0.001 0.000 0.752 140 E HN 0.417 nan 8.360 nan 0.000 0.449 141 R N -0.023 120.442 120.500 -0.059 0.000 2.115 141 R HA 0.028 4.369 4.340 0.001 0.000 0.226 141 R C 2.448 178.694 176.300 -0.091 0.000 1.100 141 R CA 0.964 57.031 56.100 -0.055 0.000 0.980 141 R CB -0.270 30.008 30.300 -0.036 0.000 0.875 141 R HN 0.128 nan 8.270 nan 0.000 0.445 142 A N 1.230 123.934 122.820 -0.193 0.000 1.902 142 A HA -0.197 4.123 4.320 0.001 0.000 0.217 142 A C 2.124 179.655 177.584 -0.089 0.000 1.181 142 A CA 1.409 53.323 52.037 -0.205 0.000 0.623 142 A CB -0.404 18.397 19.000 -0.331 0.000 0.818 142 A HN 0.225 nan 8.150 nan 0.000 0.443 143 R N -0.888 119.572 120.500 -0.066 0.000 2.073 143 R HA -0.041 4.299 4.340 0.001 0.000 0.229 143 R C 2.466 178.758 176.300 -0.013 0.000 1.120 143 R CA 1.410 57.492 56.100 -0.030 0.000 0.967 143 R CB -0.221 30.065 30.300 -0.022 0.000 0.862 143 R HN 0.529 nan 8.270 nan 0.000 0.436 144 R N -0.284 120.208 120.500 -0.013 0.000 2.062 144 R HA -0.019 4.322 4.340 0.001 0.000 0.226 144 R C 1.868 178.176 176.300 0.014 0.000 1.125 144 R CA 1.352 57.453 56.100 0.001 0.000 0.966 144 R CB 0.172 30.472 30.300 0.000 0.000 0.861 144 R HN 0.128 nan 8.270 nan 0.000 0.433 145 V N -0.945 118.980 119.914 0.018 0.000 2.575 145 V HA 0.209 4.330 4.120 0.001 0.000 0.242 145 V C 1.568 177.689 176.094 0.046 0.000 1.045 145 V CA 1.211 63.538 62.300 0.046 0.000 1.065 145 V CB 0.167 32.039 31.823 0.082 0.000 0.717 145 V HN 0.708 nan 8.190 nan 0.000 0.467 146 G N 0.264 109.078 108.800 0.023 0.000 2.195 146 G HA2 -0.227 3.733 3.960 0.001 0.000 0.246 146 G HA3 -0.227 3.733 3.960 0.001 0.000 0.246 146 G C -0.186 174.743 174.900 0.049 0.000 0.984 146 G CA 0.320 45.438 45.100 0.031 0.000 0.633 146 G HN 0.512 nan 8.290 nan 0.000 0.525 147 L N 0.975 122.226 121.223 0.048 0.000 2.441 147 L HA 0.813 5.154 4.340 0.001 0.000 0.270 147 L C -0.761 176.126 176.870 0.029 0.000 0.973 147 L CA -1.115 53.745 54.840 0.033 0.000 0.842 147 L CB 2.261 44.301 42.059 -0.032 0.000 1.239 147 L HN 0.260 nan 8.230 nan 0.000 0.406 148 V N 6.294 126.209 119.914 0.001 0.000 2.733 148 V HA 0.553 4.674 4.120 0.001 0.000 0.306 148 V C -0.491 175.711 176.094 0.179 0.000 1.084 148 V CA -0.435 61.919 62.300 0.090 0.000 0.905 148 V CB 2.149 33.864 31.823 -0.181 0.000 1.010 148 V HN 0.604 nan 8.190 nan 0.000 0.424 149 I N 3.870 124.689 120.570 0.415 0.000 2.448 149 I HA 0.724 4.894 4.170 0.001 0.000 0.281 149 I C 0.187 176.620 176.117 0.528 0.000 1.027 149 I CA -0.426 61.144 61.300 0.450 0.000 1.111 149 I CB 1.749 40.027 38.000 0.462 0.000 1.236 149 I HN 0.717 nan 8.210 nan 0.000 0.452 150 A N 4.480 127.546 122.820 0.410 0.000 2.311 150 A HA 0.935 5.255 4.320 0.001 0.000 0.334 150 A C 0.152 177.852 177.584 0.195 0.000 1.139 150 A CA -0.262 51.940 52.037 0.275 0.000 0.830 150 A CB 1.367 20.504 19.000 0.228 0.000 1.234 150 A HN 0.753 nan 8.150 nan 0.000 0.483 151 A N -0.184 122.714 122.820 0.130 0.000 2.896 151 A HA 0.545 4.865 4.320 0.001 0.000 0.232 151 A C 0.325 177.934 177.584 0.041 0.000 1.809 151 A CA 0.183 52.286 52.037 0.110 0.000 0.855 151 A CB -0.299 18.762 19.000 0.102 0.000 1.773 151 A HN 1.193 nan 8.150 nan 0.000 0.644 152 Q N -0.975 118.843 119.800 0.030 0.000 2.461 152 Q HA -0.191 4.150 4.340 0.001 0.000 0.273 152 Q C 1.125 177.118 176.000 -0.012 0.000 1.163 152 Q CA 1.009 56.813 55.803 0.001 0.000 0.929 152 Q CB -2.540 26.183 28.738 -0.025 0.000 1.334 152 Q HN 0.851 nan 8.270 nan 0.000 0.499 153 S N 0.107 115.813 115.700 0.009 0.000 2.387 153 S HA -0.098 4.372 4.470 0.001 0.000 0.230 153 S C -0.806 173.792 174.600 -0.003 0.000 1.035 153 S CA 1.416 59.618 58.200 0.003 0.000 1.014 153 S CB -0.241 62.976 63.200 0.029 0.000 0.836 153 S HN 0.360 nan 8.310 nan 0.000 0.466 154 P HA -0.054 nan 4.420 nan 0.000 0.220 154 P C 0.629 177.925 177.300 -0.006 0.000 1.144 154 P CA 1.115 64.220 63.100 0.008 0.000 0.800 154 P CB -0.170 31.540 31.700 0.017 0.000 0.772 155 D N -0.994 119.393 120.400 -0.022 0.000 2.351 155 D HA -0.045 4.596 4.640 0.001 0.000 0.216 155 D C 0.698 176.975 176.300 -0.038 0.000 0.968 155 D CA 0.722 54.701 54.000 -0.035 0.000 0.899 155 D CB -0.125 40.644 40.800 -0.052 0.000 0.907 155 D HN 0.258 nan 8.370 nan 0.000 0.514 156 L N 0.373 121.575 121.223 -0.035 0.000 2.276 156 L HA 0.366 4.706 4.340 0.001 0.000 0.286 156 L C 0.688 177.551 176.870 -0.012 0.000 1.061 156 L CA -0.735 54.086 54.840 -0.032 0.000 0.807 156 L CB 1.265 43.302 42.059 -0.037 0.000 1.177 156 L HN -0.089 nan 8.230 nan 0.000 0.429 157 A N 4.415 127.230 122.820 -0.008 0.000 2.416 157 A HA -0.119 4.202 4.320 0.001 0.000 0.293 157 A C -1.272 176.321 177.584 0.016 0.000 1.452 157 A CA 0.151 52.192 52.037 0.008 0.000 0.738 157 A CB -1.373 17.637 19.000 0.016 0.000 1.123 157 A HN 0.724 nan 8.150 nan 0.000 0.389 158 P HA -0.177 nan 4.420 nan 0.000 0.218 158 P C 1.507 178.816 177.300 0.016 0.000 1.148 158 P CA 1.286 64.388 63.100 0.003 0.000 0.822 158 P CB 0.089 31.778 31.700 -0.019 0.000 0.784 159 L N 1.100 122.335 121.223 0.019 0.000 2.083 159 L HA -0.150 4.190 4.340 0.001 0.000 0.209 159 L C 2.070 179.008 176.870 0.112 0.000 1.083 159 L CA 2.178 57.045 54.840 0.046 0.000 0.752 159 L CB -1.761 40.328 42.059 0.050 0.000 0.899 159 L HN -0.100 nan 8.230 nan 0.000 0.433 160 D N -1.133 119.329 120.400 0.103 0.000 2.117 160 D HA -0.119 4.522 4.640 0.001 0.000 0.198 160 D C 2.197 178.602 176.300 0.175 0.000 0.982 160 D CA 1.353 55.436 54.000 0.138 0.000 0.828 160 D CB -0.422 40.433 40.800 0.091 0.000 0.967 160 D HN 0.357 nan 8.370 nan 0.000 0.464 161 G N 0.329 109.206 108.800 0.129 0.000 2.440 161 G HA2 -0.328 3.633 3.960 0.001 0.000 0.218 161 G HA3 -0.328 3.633 3.960 0.001 0.000 0.218 161 G C 1.643 176.655 174.900 0.186 0.000 1.154 161 G CA 0.981 46.174 45.100 0.156 0.000 0.767 161 G HN 0.336 nan 8.290 nan 0.000 0.552 162 K N -0.514 119.966 120.400 0.133 0.000 2.025 162 K HA 0.033 4.353 4.320 0.001 0.000 0.207 162 K C 2.414 179.177 176.600 0.271 0.000 1.049 162 K CA 0.914 57.275 56.287 0.123 0.000 0.933 162 K CB -0.256 32.223 32.500 -0.034 0.000 0.714 162 K HN 0.235 nan 8.250 nan 0.000 0.438 163 L N 0.561 121.980 121.223 0.327 0.000 2.093 163 L HA -0.149 4.191 4.340 0.001 0.000 0.208 163 L C 2.149 179.170 176.870 0.251 0.000 1.085 163 L CA 1.510 56.551 54.840 0.335 0.000 0.755 163 L CB -0.613 41.633 42.059 0.313 0.000 0.904 163 L HN 0.272 nan 8.230 nan 0.000 0.435 164 Y N -0.074 120.317 120.300 0.152 0.000 2.200 164 Y HA -0.189 4.361 4.550 0.001 0.000 0.290 164 Y C 2.344 178.316 175.900 0.119 0.000 1.137 164 Y CA 1.465 59.640 58.100 0.125 0.000 1.163 164 Y CB -0.558 37.965 38.460 0.105 0.000 0.988 164 Y HN 0.198 nan 8.280 nan 0.000 0.518 165 A N 0.068 122.906 122.820 0.031 0.000 1.940 165 A HA -0.194 4.126 4.320 0.001 0.000 0.219 165 A C 2.178 179.721 177.584 -0.069 0.000 1.176 165 A CA 1.847 53.854 52.037 -0.049 0.000 0.631 165 A CB -1.164 17.883 19.000 0.079 0.000 0.814 165 A HN 0.539 nan 8.150 nan 0.000 0.446 166 L N -0.346 120.893 121.223 0.025 0.000 2.044 166 L HA -0.044 4.296 4.340 0.001 0.000 0.205 166 L C 2.427 179.284 176.870 -0.022 0.000 1.075 166 L CA 1.810 56.674 54.840 0.040 0.000 0.747 166 L CB -0.600 41.522 42.059 0.106 0.000 0.903 166 L HN 0.338 nan 8.230 nan 0.000 0.435 167 R N -0.451 120.023 120.500 -0.042 0.000 2.105 167 R HA -0.211 4.130 4.340 0.001 0.000 0.239 167 R C 1.950 178.175 176.300 -0.126 0.000 1.135 167 R CA 1.618 57.690 56.100 -0.046 0.000 0.967 167 R CB -0.585 29.719 30.300 0.006 0.000 0.861 167 R HN 0.426 nan 8.270 nan 0.000 0.442 168 D N -0.041 120.185 120.400 -0.290 0.000 2.263 168 D HA -0.105 4.535 4.640 0.001 0.000 0.208 168 D C 1.314 177.549 176.300 -0.109 0.000 0.971 168 D CA 0.923 54.766 54.000 -0.262 0.000 0.867 168 D CB 0.359 40.903 40.800 -0.426 0.000 0.929 168 D HN 0.191 nan 8.370 nan 0.000 0.492 169 V N -2.480 117.388 119.914 -0.077 0.000 3.376 169 V HA 0.336 4.457 4.120 0.001 0.000 0.313 169 V C 0.999 177.079 176.094 -0.024 0.000 1.393 169 V CA 0.743 63.023 62.300 -0.032 0.000 1.125 169 V CB -0.107 31.710 31.823 -0.009 0.000 1.037 169 V HN 0.238 nan 8.190 nan 0.000 0.440 170 T N -3.407 111.126 114.554 -0.035 0.000 3.209 170 T HA 0.620 4.971 4.350 0.001 0.000 0.295 170 T C 0.974 175.631 174.700 -0.073 0.000 0.977 170 T CA 0.543 62.622 62.100 -0.036 0.000 0.922 170 T CB 0.444 69.304 68.868 -0.013 0.000 1.152 170 T HN 1.751 nan 8.240 nan 0.000 0.527 171 A N 1.252 124.027 122.820 -0.075 0.000 2.791 171 A HA -0.138 4.183 4.320 0.001 0.000 0.292 171 A C 1.042 178.530 177.584 -0.160 0.000 1.487 171 A CA 1.172 53.142 52.037 -0.112 0.000 0.760 171 A CB -2.665 16.242 19.000 -0.154 0.000 1.031 171 A HN 1.407 nan 8.150 nan 0.000 0.503 172 T N -3.891 110.647 114.554 -0.027 0.000 3.331 172 T HA 0.505 4.855 4.350 0.001 0.000 0.282 172 T C 1.035 175.905 174.700 0.284 0.000 1.010 172 T CA 0.383 62.572 62.100 0.149 0.000 0.928 172 T CB 0.323 69.263 68.868 0.121 0.000 1.154 172 T HN 0.500 nan 8.240 nan 0.000 0.516 173 V N 1.177 121.222 119.914 0.217 0.000 2.300 173 V HA 0.056 4.177 4.120 0.001 0.000 0.241 173 V C 1.645 177.868 176.094 0.214 0.000 1.034 173 V CA 0.978 63.396 62.300 0.197 0.000 1.021 173 V CB -0.227 31.685 31.823 0.149 0.000 0.662 173 V HN 0.470 nan 8.190 nan 0.000 0.458 174 E N 1.806 122.159 120.200 0.256 0.000 3.187 174 E HA 0.062 4.412 4.350 0.001 0.000 0.297 174 E C 0.197 176.759 176.600 -0.064 0.000 1.515 174 E CA 0.212 56.704 56.400 0.153 0.000 1.641 174 E CB -0.268 29.526 29.700 0.156 0.000 1.314 174 E HN 0.364 nan 8.360 nan 0.000 0.462 175 S N -0.198 115.336 115.700 -0.276 0.000 2.478 175 S HA 0.241 4.712 4.470 0.001 0.000 0.312 175 S C 1.304 175.724 174.600 -0.299 0.000 1.094 175 S CA -0.755 57.047 58.200 -0.662 0.000 1.081 175 S CB 1.323 63.953 63.200 -0.951 0.000 1.007 175 S HN 0.008 nan 8.310 nan 0.000 0.475 176 V N 7.110 126.871 119.914 -0.254 0.000 2.252 176 V HA -0.105 4.015 4.120 0.001 0.000 0.249 176 V C -0.919 175.105 176.094 -0.116 0.000 1.056 176 V CA 2.022 64.235 62.300 -0.144 0.000 1.022 176 V CB -1.477 30.271 31.823 -0.125 0.000 0.641 176 V HN 0.686 nan 8.190 nan 0.000 0.445 177 P HA -0.108 nan 4.420 nan 0.000 0.217 177 P C 1.867 179.139 177.300 -0.046 0.000 1.150 177 P CA 1.358 64.405 63.100 -0.089 0.000 0.832 177 P CB -0.045 31.593 31.700 -0.103 0.000 0.787 178 L N -1.723 119.462 121.223 -0.063 0.000 2.109 178 L HA -0.092 4.248 4.340 0.001 0.000 0.207 178 L C 2.370 179.263 176.870 0.040 0.000 1.086 178 L CA 1.151 55.998 54.840 0.012 0.000 0.760 178 L CB -0.711 41.355 42.059 0.012 0.000 0.910 178 L HN -0.063 nan 8.230 nan 0.000 0.437 179 I N 0.098 120.672 120.570 0.008 0.000 2.202 179 I HA -0.243 3.927 4.170 0.001 0.000 0.242 179 I C 2.865 178.981 176.117 -0.001 0.000 1.091 179 I CA 1.127 62.442 61.300 0.025 0.000 1.368 179 I CB -0.455 37.552 38.000 0.011 0.000 1.058 179 I HN 0.169 nan 8.210 nan 0.000 0.410 180 A N 1.048 123.856 122.820 -0.019 0.000 1.865 180 A HA -0.258 4.063 4.320 0.001 0.000 0.217 180 A C 2.520 180.091 177.584 -0.021 0.000 1.191 180 A CA 2.582 54.602 52.037 -0.029 0.000 0.623 180 A CB -1.033 17.947 19.000 -0.034 0.000 0.826 180 A HN 0.534 nan 8.150 nan 0.000 0.444 181 S N -0.662 115.041 115.700 0.005 0.000 2.382 181 S HA -0.160 4.311 4.470 0.001 0.000 0.228 181 S C 2.141 176.758 174.600 0.028 0.000 1.027 181 S CA 1.641 59.859 58.200 0.029 0.000 0.991 181 S CB -0.811 62.431 63.200 0.071 0.000 0.823 181 S HN 0.599 nan 8.310 nan 0.000 0.469 182 S N 1.871 117.591 115.700 0.034 0.000 2.343 182 S HA -0.036 4.434 4.470 0.001 0.000 0.219 182 S C 1.844 176.415 174.600 -0.048 0.000 1.033 182 S CA 1.362 59.579 58.200 0.028 0.000 1.014 182 S CB -0.725 62.509 63.200 0.057 0.000 0.915 182 S HN 0.591 nan 8.310 nan 0.000 0.435 183 I N 1.419 121.925 120.570 -0.107 0.000 2.127 183 I HA -0.207 3.964 4.170 0.001 0.000 0.241 183 I C 2.526 178.511 176.117 -0.220 0.000 1.075 183 I CA 1.295 62.434 61.300 -0.268 0.000 1.334 183 I CB -0.360 37.445 38.000 -0.326 0.000 1.040 183 I HN 0.362 nan 8.210 nan 0.000 0.405 184 M N 0.551 120.077 119.600 -0.123 0.000 2.296 184 M HA -0.123 4.358 4.480 0.001 0.000 0.265 184 M C 2.655 178.931 176.300 -0.041 0.000 1.064 184 M CA 1.726 56.981 55.300 -0.076 0.000 1.109 184 M CB -1.453 31.123 32.600 -0.040 0.000 1.396 184 M HN 0.405 nan 8.290 nan 0.000 0.430 185 S N 0.296 115.982 115.700 -0.023 0.000 2.382 185 S HA -0.134 4.336 4.470 0.001 0.000 0.228 185 S C 1.907 176.501 174.600 -0.010 0.000 1.027 185 S CA 0.966 59.168 58.200 0.003 0.000 0.991 185 S CB -0.380 62.837 63.200 0.028 0.000 0.823 185 S HN 0.478 nan 8.310 nan 0.000 0.469 186 K N 0.878 121.259 120.400 -0.031 0.000 2.155 186 K HA 0.077 4.398 4.320 0.001 0.000 0.203 186 K C 2.188 178.774 176.600 -0.024 0.000 1.052 186 K CA 0.865 57.137 56.287 -0.024 0.000 0.948 186 K CB -0.046 32.441 32.500 -0.022 0.000 0.728 186 K HN 0.246 nan 8.250 nan 0.000 0.448 187 K N 1.018 121.393 120.400 -0.042 0.000 2.103 187 K HA -0.016 4.304 4.320 0.001 0.000 0.204 187 K C 2.116 178.709 176.600 -0.012 0.000 1.052 187 K CA 0.866 57.137 56.287 -0.026 0.000 0.945 187 K CB -0.206 32.269 32.500 -0.041 0.000 0.722 187 K HN 0.171 nan 8.250 nan 0.000 0.443 188 L N 0.518 121.736 121.223 -0.009 0.000 2.093 188 L HA -0.103 4.237 4.340 0.001 0.000 0.208 188 L C 2.520 179.392 176.870 0.003 0.000 1.085 188 L CA 1.130 55.972 54.840 0.003 0.000 0.755 188 L CB -0.643 41.423 42.059 0.012 0.000 0.904 188 L HN 0.075 nan 8.230 nan 0.000 0.435 189 A N 0.127 122.945 122.820 -0.003 0.000 1.969 189 A HA -0.070 4.250 4.320 0.001 0.000 0.218 189 A C 2.449 180.024 177.584 -0.015 0.000 1.169 189 A CA 1.442 53.473 52.037 -0.009 0.000 0.635 189 A CB -0.509 18.483 19.000 -0.014 0.000 0.810 189 A HN 0.380 nan 8.150 nan 0.000 0.445 190 A N -1.762 121.050 122.820 -0.013 0.000 2.168 190 A HA 0.343 4.663 4.320 0.001 0.000 0.215 190 A C 2.037 179.632 177.584 0.018 0.000 1.152 190 A CA 1.444 53.475 52.037 -0.009 0.000 0.716 190 A CB -0.966 18.030 19.000 -0.007 0.000 0.794 190 A HN 1.868 nan 8.150 nan 0.000 0.465 191 G N -2.063 106.746 108.800 0.015 0.000 2.179 191 G HA2 0.027 3.987 3.960 0.001 0.000 0.260 191 G HA3 0.027 3.987 3.960 0.001 0.000 0.260 191 G C 0.516 175.430 174.900 0.024 0.000 0.977 191 G CA 0.514 45.629 45.100 0.025 0.000 0.641 191 G HN 1.640 nan 8.290 nan 0.000 0.533 192 A N -0.255 122.573 122.820 0.013 0.000 2.445 192 A HA 0.695 5.016 4.320 0.001 0.000 0.242 192 A C 1.314 178.910 177.584 0.019 0.000 1.075 192 A CA 1.158 53.200 52.037 0.009 0.000 0.777 192 A CB 0.322 19.313 19.000 -0.015 0.000 1.013 192 A HN 0.656 nan 8.150 nan 0.000 0.493 193 R N 0.507 121.025 120.500 0.029 0.000 2.090 193 R HA 0.064 4.404 4.340 0.001 0.000 0.219 193 R C -0.061 176.262 176.300 0.038 0.000 1.100 193 R CA 1.285 57.405 56.100 0.034 0.000 0.991 193 R CB 0.080 30.404 30.300 0.041 0.000 0.893 193 R HN 0.636 nan 8.270 nan 0.000 0.443 194 S N 0.337 116.066 115.700 0.048 0.000 2.454 194 S HA 0.492 4.963 4.470 0.001 0.000 0.306 194 S C -0.724 173.904 174.600 0.046 0.000 1.100 194 S CA -0.639 57.591 58.200 0.049 0.000 1.087 194 S CB 1.810 65.047 63.200 0.062 0.000 1.019 194 S HN 0.178 nan 8.310 nan 0.000 0.480 195 I N 2.613 123.207 120.570 0.042 0.000 2.466 195 I HA 0.432 4.602 4.170 0.001 0.000 0.289 195 I C -0.882 175.268 176.117 0.055 0.000 1.026 195 I CA -0.871 60.457 61.300 0.046 0.000 1.078 195 I CB 1.936 39.954 38.000 0.030 0.000 1.249 195 I HN 0.242 nan 8.210 nan 0.000 0.429 196 V N 7.052 127.012 119.914 0.077 0.000 2.435 196 V HA 0.476 4.596 4.120 0.001 0.000 0.290 196 V C -0.096 176.051 176.094 0.088 0.000 1.030 196 V CA -0.527 61.818 62.300 0.074 0.000 0.881 196 V CB 1.798 33.667 31.823 0.077 0.000 0.983 196 V HN 0.454 nan 8.190 nan 0.000 0.445 197 L N 3.806 125.073 121.223 0.073 0.000 2.322 197 L HA 0.578 4.918 4.340 0.001 0.000 0.281 197 L C -0.643 176.270 176.870 0.072 0.000 1.014 197 L CA -0.544 54.349 54.840 0.090 0.000 0.815 197 L CB 1.824 43.926 42.059 0.071 0.000 1.247 197 L HN 0.549 nan 8.230 nan 0.000 0.421 198 D N 2.746 123.194 120.400 0.079 0.000 2.373 198 D HA 0.373 5.014 4.640 0.001 0.000 0.227 198 D C -0.972 175.363 176.300 0.058 0.000 1.091 198 D CA -0.231 53.801 54.000 0.054 0.000 0.840 198 D CB 1.556 42.380 40.800 0.040 0.000 1.060 198 D HN 0.095 nan 8.370 nan 0.000 0.502 199 V N 5.426 125.368 119.914 0.047 0.000 2.347 199 V HA 0.287 4.407 4.120 0.001 0.000 0.280 199 V C 0.292 176.409 176.094 0.038 0.000 1.021 199 V CA -0.939 61.389 62.300 0.047 0.000 0.847 199 V CB 1.230 33.075 31.823 0.036 0.000 0.990 199 V HN 0.375 nan 8.190 nan 0.000 0.444 200 K N 3.976 124.404 120.400 0.046 0.000 2.322 200 K HA 0.470 4.790 4.320 0.001 0.000 0.283 200 K C -0.521 176.100 176.600 0.036 0.000 1.042 200 K CA -0.195 56.118 56.287 0.042 0.000 0.958 200 K CB 1.721 34.256 32.500 0.058 0.000 0.984 200 K HN 0.417 nan 8.250 nan 0.000 0.473 201 V N 1.496 121.426 119.914 0.026 0.000 2.495 201 V HA 0.805 4.926 4.120 0.001 0.000 0.298 201 V C 0.558 176.661 176.094 0.016 0.000 1.031 201 V CA -0.488 61.823 62.300 0.018 0.000 0.871 201 V CB 1.552 33.382 31.823 0.011 0.000 0.988 201 V HN 0.998 nan 8.190 nan 0.000 0.432 202 G N 4.129 112.936 108.800 0.011 0.000 2.315 202 G HA2 0.378 4.339 3.960 0.001 0.000 0.294 202 G HA3 0.378 4.339 3.960 0.001 0.000 0.294 202 G C -1.608 173.292 174.900 0.001 0.000 1.300 202 G CA -1.092 44.013 45.100 0.009 0.000 0.843 202 G HN 0.502 nan 8.290 nan 0.000 0.527 203 R N 0.114 120.613 120.500 -0.001 0.000 2.239 203 R HA 0.639 4.979 4.340 0.001 0.000 0.332 203 R C 0.359 176.650 176.300 -0.014 0.000 0.988 203 R CA 0.535 56.629 56.100 -0.011 0.000 0.859 203 R CB 1.091 31.385 30.300 -0.009 0.000 1.148 203 R HN 1.546 nan 8.270 nan 0.000 0.482 204 G N 1.005 109.783 108.800 -0.035 0.000 2.369 204 G HA2 0.287 4.247 3.960 0.001 0.000 0.293 204 G HA3 0.287 4.247 3.960 0.001 0.000 0.293 204 G C -1.464 173.364 174.900 -0.120 0.000 1.301 204 G CA -0.564 44.501 45.100 -0.059 0.000 0.913 204 G HN 0.608 nan 8.290 nan 0.000 0.540 205 A N -0.948 121.740 122.820 -0.220 0.000 2.425 205 A HA 0.684 5.005 4.320 0.001 0.000 0.242 205 A C 0.790 178.161 177.584 -0.355 0.000 1.077 205 A CA 1.044 52.769 52.037 -0.521 0.000 0.781 205 A CB -0.547 17.909 19.000 -0.907 0.000 1.020 205 A HN 1.942 nan 8.150 nan 0.000 0.494 206 F N -2.328 117.584 119.950 -0.063 0.000 2.953 206 F HA -0.207 4.321 4.527 0.001 0.000 0.292 206 F C 0.255 176.060 175.800 0.008 0.000 0.747 206 F CA 1.262 59.262 58.000 0.000 0.000 1.222 206 F CB -2.288 36.728 39.000 0.028 0.000 1.457 206 F HN 0.509 nan 8.300 nan 0.000 0.383 207 M N -0.406 119.222 119.600 0.048 0.000 2.531 207 M HA 0.475 4.955 4.480 0.001 0.000 0.286 207 M C -0.385 175.915 176.300 0.001 0.000 1.232 207 M CA -0.892 54.433 55.300 0.042 0.000 0.877 207 M CB 2.669 35.292 32.600 0.038 0.000 1.726 207 M HN -0.222 nan 8.290 nan 0.000 0.463 208 K N 1.543 121.948 120.400 0.009 0.000 2.259 208 K HA 0.523 4.843 4.320 0.001 0.000 0.252 208 K C -0.288 176.309 176.600 -0.005 0.000 0.936 208 K CA -0.401 55.884 56.287 -0.004 0.000 0.810 208 K CB 2.013 34.514 32.500 0.002 0.000 1.143 208 K HN 0.872 nan 8.250 nan 0.000 0.427 209 T N -0.909 113.637 114.554 -0.012 0.000 2.748 209 T HA 0.024 4.375 4.350 0.001 0.000 0.304 209 T C 1.495 176.190 174.700 -0.008 0.000 1.041 209 T CA -0.536 61.557 62.100 -0.011 0.000 1.033 209 T CB 0.473 69.332 68.868 -0.015 0.000 0.995 209 T HN 0.414 nan 8.240 nan 0.000 0.536 210 L N 1.017 122.235 121.223 -0.007 0.000 2.012 210 L HA -0.050 4.290 4.340 0.001 0.000 0.210 210 L C 2.552 179.416 176.870 -0.010 0.000 1.073 210 L CA 1.987 56.823 54.840 -0.006 0.000 0.748 210 L CB -1.197 40.858 42.059 -0.006 0.000 0.891 210 L HN 0.862 nan 8.230 nan 0.000 0.431 211 E N -0.223 119.970 120.200 -0.013 0.000 2.085 211 E HA -0.232 4.118 4.350 0.001 0.000 0.194 211 E C 2.079 178.667 176.600 -0.020 0.000 0.994 211 E CA 1.845 58.234 56.400 -0.017 0.000 0.801 211 E CB -0.241 29.448 29.700 -0.018 0.000 0.743 211 E HN 0.628 nan 8.360 nan 0.000 0.453 212 E N 0.436 120.624 120.200 -0.020 0.000 2.072 212 E HA -0.145 4.205 4.350 0.001 0.000 0.191 212 E C 2.145 178.733 176.600 -0.020 0.000 0.985 212 E CA 0.903 57.288 56.400 -0.025 0.000 0.801 212 E CB -0.193 29.493 29.700 -0.025 0.000 0.750 212 E HN 0.282 nan 8.360 nan 0.000 0.452 213 A N 1.638 124.451 122.820 -0.011 0.000 1.902 213 A HA -0.190 4.131 4.320 0.001 0.000 0.217 213 A C 2.098 179.678 177.584 -0.007 0.000 1.181 213 A CA 1.311 53.345 52.037 -0.004 0.000 0.623 213 A CB -0.379 18.623 19.000 0.003 0.000 0.818 213 A HN 0.061 nan 8.150 nan 0.000 0.443 214 R N -1.333 119.161 120.500 -0.010 0.000 2.092 214 R HA -0.066 4.274 4.340 0.001 0.000 0.231 214 R C 2.077 178.367 176.300 -0.017 0.000 1.119 214 R CA 1.298 57.391 56.100 -0.011 0.000 0.970 214 R CB -0.438 29.855 30.300 -0.012 0.000 0.864 214 R HN 0.482 nan 8.270 nan 0.000 0.440 215 L N 0.797 122.006 121.223 -0.024 0.000 2.056 215 L HA -0.107 4.233 4.340 0.001 0.000 0.207 215 L C 1.988 178.838 176.870 -0.034 0.000 1.078 215 L CA 1.435 56.255 54.840 -0.033 0.000 0.749 215 L CB -0.519 41.515 42.059 -0.042 0.000 0.901 215 L HN 0.107 nan 8.230 nan 0.000 0.433 216 L N -0.133 121.072 121.223 -0.030 0.000 2.017 216 L HA -0.072 4.268 4.340 0.001 0.000 0.208 216 L C 2.500 179.359 176.870 -0.019 0.000 1.073 216 L CA 2.102 56.926 54.840 -0.027 0.000 0.745 216 L CB -1.118 40.931 42.059 -0.017 0.000 0.894 216 L HN 0.270 nan 8.230 nan 0.000 0.432 217 A N -0.483 122.330 122.820 -0.011 0.000 1.877 217 A HA -0.280 4.040 4.320 0.001 0.000 0.216 217 A C 2.470 180.048 177.584 -0.011 0.000 1.186 217 A CA 2.053 54.087 52.037 -0.005 0.000 0.620 217 A CB -0.692 18.309 19.000 0.000 0.000 0.822 217 A HN 0.519 nan 8.150 nan 0.000 0.443 218 K N -0.918 119.473 120.400 -0.016 0.000 2.097 218 K HA -0.141 4.179 4.320 0.001 0.000 0.206 218 K C 1.944 178.529 176.600 -0.025 0.000 1.049 218 K CA 1.866 58.142 56.287 -0.019 0.000 0.933 218 K CB -0.314 32.173 32.500 -0.023 0.000 0.717 218 K HN 0.456 nan 8.250 nan 0.000 0.442 219 T N 1.285 115.821 114.554 -0.031 0.000 2.777 219 T HA -0.094 4.256 4.350 0.001 0.000 0.266 219 T C 1.820 176.501 174.700 -0.032 0.000 1.040 219 T CA 1.538 63.615 62.100 -0.038 0.000 1.141 219 T CB -0.072 68.768 68.868 -0.047 0.000 0.868 219 T HN 0.248 nan 8.240 nan 0.000 0.444 220 M N 0.541 120.125 119.600 -0.026 0.000 2.175 220 M HA -0.042 4.438 4.480 0.001 0.000 0.264 220 M C 2.424 178.714 176.300 -0.016 0.000 1.063 220 M CA 1.021 56.307 55.300 -0.023 0.000 1.119 220 M CB -0.483 32.103 32.600 -0.023 0.000 1.377 220 M HN 0.088 nan 8.290 nan 0.000 0.415 221 V N 0.467 120.374 119.914 -0.012 0.000 2.358 221 V HA -0.235 3.885 4.120 0.001 0.000 0.246 221 V C 2.647 178.736 176.094 -0.008 0.000 1.047 221 V CA 2.007 64.303 62.300 -0.006 0.000 1.035 221 V CB -1.101 30.720 31.823 -0.004 0.000 0.658 221 V HN 0.504 nan 8.190 nan 0.000 0.452 222 A N -0.094 122.717 122.820 -0.016 0.000 1.902 222 A HA -0.173 4.148 4.320 0.001 0.000 0.217 222 A C 2.172 179.745 177.584 -0.018 0.000 1.181 222 A CA 1.891 53.916 52.037 -0.020 0.000 0.623 222 A CB -0.521 18.460 19.000 -0.033 0.000 0.818 222 A HN 0.509 nan 8.150 nan 0.000 0.443 223 I N -0.372 120.186 120.570 -0.020 0.000 2.179 223 I HA -0.208 3.962 4.170 0.001 0.000 0.242 223 I C 2.758 178.876 176.117 0.001 0.000 1.088 223 I CA 1.180 62.472 61.300 -0.012 0.000 1.357 223 I CB -0.765 37.228 38.000 -0.013 0.000 1.051 223 I HN 0.396 nan 8.210 nan 0.000 0.409 224 G N -0.090 108.710 108.800 -0.000 0.000 2.446 224 G HA2 -0.335 3.625 3.960 0.001 0.000 0.217 224 G HA3 -0.335 3.625 3.960 0.001 0.000 0.217 224 G C 1.560 176.468 174.900 0.012 0.000 1.168 224 G CA 0.838 45.942 45.100 0.007 0.000 0.771 224 G HN 0.425 nan 8.290 nan 0.000 0.551 225 Q N 0.263 120.068 119.800 0.009 0.000 2.096 225 Q HA -0.068 4.272 4.340 0.001 0.000 0.204 225 Q C 2.643 178.654 176.000 0.017 0.000 0.982 225 Q CA 1.710 57.520 55.803 0.012 0.000 0.850 225 Q CB -0.637 28.105 28.738 0.007 0.000 0.901 225 Q HN 0.400 nan 8.270 nan 0.000 0.422 226 G N -0.214 108.595 108.800 0.016 0.000 2.470 226 G HA2 -0.106 3.855 3.960 0.001 0.000 0.220 226 G HA3 -0.106 3.855 3.960 0.001 0.000 0.220 226 G C 1.107 176.032 174.900 0.043 0.000 1.121 226 G CA 0.685 45.801 45.100 0.027 0.000 0.766 226 G HN 0.454 nan 8.290 nan 0.000 0.553 227 A N -0.636 122.206 122.820 0.036 0.000 2.387 227 A HA 0.529 4.849 4.320 0.001 0.000 0.234 227 A C 1.796 179.400 177.584 0.032 0.000 1.253 227 A CA 1.027 53.089 52.037 0.041 0.000 0.894 227 A CB -0.219 18.804 19.000 0.038 0.000 0.963 227 A HN 1.460 nan 8.150 nan 0.000 0.508 228 G N -0.666 108.152 108.800 0.029 0.000 2.143 228 G HA2 -0.237 3.723 3.960 0.001 0.000 0.249 228 G HA3 -0.237 3.723 3.960 0.001 0.000 0.249 228 G C 0.237 175.151 174.900 0.023 0.000 0.981 228 G CA 0.456 45.572 45.100 0.025 0.000 0.665 228 G HN 0.549 nan 8.290 nan 0.000 0.528 229 R N -0.318 120.195 120.500 0.022 0.000 2.674 229 R HA 0.797 5.137 4.340 0.001 0.000 0.266 229 R C 0.625 176.938 176.300 0.022 0.000 1.016 229 R CA -0.604 55.509 56.100 0.022 0.000 1.062 229 R CB 0.592 30.903 30.300 0.018 0.000 1.142 229 R HN 0.320 nan 8.270 nan 0.000 0.517 230 R N 0.573 121.089 120.500 0.026 0.000 2.295 230 R HA 0.535 4.876 4.340 0.001 0.000 0.324 230 R C -0.978 175.337 176.300 0.025 0.000 0.968 230 R CA -0.677 55.438 56.100 0.026 0.000 0.837 230 R CB 1.403 31.723 30.300 0.033 0.000 1.133 230 R HN 0.188 nan 8.270 nan 0.000 0.450 231 V N 2.899 122.826 119.914 0.020 0.000 2.789 231 V HA 0.561 4.681 4.120 0.001 0.000 0.311 231 V C -0.585 175.521 176.094 0.020 0.000 1.073 231 V CA -0.967 61.345 62.300 0.020 0.000 0.921 231 V CB 2.157 33.987 31.823 0.013 0.000 1.009 231 V HN 0.628 nan 8.190 nan 0.000 0.426 232 R N 2.518 123.033 120.500 0.024 0.000 2.604 232 R HA 0.832 5.172 4.340 0.001 0.000 0.281 232 R C -1.017 175.299 176.300 0.026 0.000 1.020 232 R CA 0.021 56.134 56.100 0.022 0.000 0.899 232 R CB 1.932 32.246 30.300 0.023 0.000 1.205 232 R HN 1.004 nan 8.270 nan 0.000 0.450 233 A N 3.750 126.583 122.820 0.021 0.000 2.337 233 A HA 0.713 5.033 4.320 0.001 0.000 0.329 233 A C -1.601 175.996 177.584 0.022 0.000 1.146 233 A CA -0.637 51.414 52.037 0.025 0.000 0.800 233 A CB 1.225 20.236 19.000 0.019 0.000 1.220 233 A HN 0.587 nan 8.150 nan 0.000 0.472 234 L N 2.723 123.962 121.223 0.026 0.000 2.319 234 L HA 0.599 4.940 4.340 0.001 0.000 0.281 234 L C -1.440 175.442 176.870 0.020 0.000 1.005 234 L CA -0.393 54.459 54.840 0.020 0.000 0.828 234 L CB 1.278 43.349 42.059 0.020 0.000 1.227 234 L HN 0.566 nan 8.230 nan 0.000 0.415 235 L N 4.639 125.871 121.223 0.015 0.000 2.276 235 L HA 0.650 4.991 4.340 0.001 0.000 0.286 235 L C 0.454 177.332 176.870 0.013 0.000 1.061 235 L CA 0.200 55.049 54.840 0.015 0.000 0.807 235 L CB 1.385 43.450 42.059 0.011 0.000 1.177 235 L HN 0.790 nan 8.230 nan 0.000 0.429 236 T N -0.963 113.600 114.554 0.015 0.000 2.916 236 T HA 0.751 5.102 4.350 0.001 0.000 0.292 236 T C 0.025 174.733 174.700 0.013 0.000 1.055 236 T CA -0.748 61.359 62.100 0.012 0.000 1.009 236 T CB 1.587 70.461 68.868 0.010 0.000 1.118 236 T HN 0.517 nan 8.240 nan 0.000 0.497 237 S N 1.352 117.058 115.700 0.010 0.000 2.655 237 S HA 0.622 5.093 4.470 0.001 0.000 0.265 237 S C 0.086 174.693 174.600 0.012 0.000 1.240 237 S CA -0.981 57.225 58.200 0.011 0.000 0.986 237 S CB 0.739 63.944 63.200 0.008 0.000 0.985 237 S HN 0.971 nan 8.310 nan 0.000 0.562 238 M N 0.894 120.502 119.600 0.014 0.000 3.600 238 M HA 0.268 4.748 4.480 0.001 0.000 0.397 238 M C -0.171 176.134 176.300 0.008 0.000 1.860 238 M CA -0.039 55.270 55.300 0.013 0.000 0.514 238 M CB 0.318 32.936 32.600 0.030 0.000 1.473 238 M HN 0.856 nan 8.290 nan 0.000 0.485 239 E N 0.773 120.972 120.200 -0.002 0.000 2.482 239 E HA 0.250 4.601 4.350 0.001 0.000 0.196 239 E C 0.279 176.858 176.600 -0.035 0.000 1.047 239 E CA 0.235 56.630 56.400 -0.009 0.000 0.869 239 E CB 0.433 30.131 29.700 -0.004 0.000 0.836 239 E HN 0.601 nan 8.360 nan 0.000 0.520 240 A N 1.043 123.839 122.820 -0.039 0.000 2.567 240 A HA 0.446 4.767 4.320 0.001 0.000 0.291 240 A C -2.902 174.650 177.584 -0.052 0.000 1.048 240 A CA -1.277 50.718 52.037 -0.070 0.000 0.661 240 A CB 0.690 19.634 19.000 -0.093 0.000 1.288 240 A HN -0.174 nan 8.150 nan 0.000 0.424 241 P HA 0.397 nan 4.420 nan 0.000 0.269 241 P C -0.668 176.601 177.300 -0.052 0.000 1.215 241 P CA -0.171 62.900 63.100 -0.050 0.000 0.780 241 P CB 0.375 32.040 31.700 -0.057 0.000 0.898 242 L N 1.923 123.120 121.223 -0.044 0.000 2.367 242 L HA 0.422 4.762 4.340 0.001 0.000 0.275 242 L C 1.248 178.084 176.870 -0.057 0.000 1.129 242 L CA 0.677 55.491 54.840 -0.044 0.000 0.839 242 L CB -0.424 41.613 42.059 -0.036 0.000 1.133 242 L HN 0.748 nan 8.230 nan 0.000 0.453 243 G N 3.696 112.458 108.800 -0.063 0.000 2.632 243 G HA2 -0.255 3.705 3.960 0.001 0.000 0.224 243 G HA3 -0.255 3.705 3.960 0.001 0.000 0.224 243 G C 0.258 175.080 174.900 -0.131 0.000 1.341 243 G CA 0.045 45.098 45.100 -0.079 0.000 0.880 243 G HN 0.696 nan 8.290 nan 0.000 0.566 244 R N -0.119 120.257 120.500 -0.206 0.000 2.369 244 R HA 0.537 4.878 4.340 0.001 0.000 0.210 244 R C 1.214 177.291 176.300 -0.372 0.000 0.881 244 R CA 0.577 56.430 56.100 -0.412 0.000 1.031 244 R CB 0.676 30.460 30.300 -0.859 0.000 1.184 244 R HN 1.000 nan 8.270 nan 0.000 0.581 245 A N 1.655 124.381 122.820 -0.155 0.000 2.328 245 A HA 0.534 4.854 4.320 0.001 0.000 0.284 245 A C -0.370 177.216 177.584 0.004 0.000 1.160 245 A CA -0.204 51.849 52.037 0.028 0.000 0.818 245 A CB 0.869 19.942 19.000 0.122 0.000 1.087 245 A HN -0.012 nan 8.150 nan 0.000 0.504 246 V N 2.506 122.443 119.914 0.037 0.000 2.482 246 V HA 0.795 4.915 4.120 0.001 0.000 0.295 246 V C 0.642 176.754 176.094 0.030 0.000 1.026 246 V CA 0.567 62.877 62.300 0.016 0.000 0.856 246 V CB 0.767 32.596 31.823 0.011 0.000 1.001 246 V HN 1.773 nan 8.190 nan 0.000 0.424 247 G N 4.410 113.211 108.800 0.002 0.000 2.480 247 G HA2 0.044 4.004 3.960 0.001 0.000 0.109 247 G HA3 0.044 4.004 3.960 0.001 0.000 0.109 247 G C -0.252 174.637 174.900 -0.018 0.000 1.172 247 G CA 0.318 45.417 45.100 -0.003 0.000 1.091 247 G HN 0.442 nan 8.290 nan 0.000 0.464 248 N N -0.711 117.980 118.700 -0.016 0.000 3.490 248 N HA 0.236 4.976 4.740 0.001 0.000 0.213 248 N C 2.247 177.744 175.510 -0.022 0.000 1.237 248 N CA 0.663 53.714 53.050 0.002 0.000 1.142 248 N CB -0.111 38.409 38.487 0.056 0.000 1.246 248 N HN 0.639 nan 8.380 nan 0.000 0.684 249 A N 1.901 124.710 122.820 -0.017 0.000 1.940 249 A HA -0.067 4.254 4.320 0.001 0.000 0.219 249 A C 2.088 179.573 177.584 -0.166 0.000 1.176 249 A CA 1.098 53.082 52.037 -0.090 0.000 0.631 249 A CB -0.807 18.145 19.000 -0.081 0.000 0.814 249 A HN 0.408 nan 8.150 nan 0.000 0.446 250 I N -0.707 119.774 120.570 -0.149 0.000 2.394 250 I HA -0.213 3.958 4.170 0.001 0.000 0.251 250 I C 2.221 178.271 176.117 -0.112 0.000 1.136 250 I CA 1.493 62.692 61.300 -0.169 0.000 1.425 250 I CB -0.135 37.783 38.000 -0.137 0.000 1.079 250 I HN 0.444 nan 8.210 nan 0.000 0.425 251 E N -0.338 119.813 120.200 -0.083 0.000 2.158 251 E HA -0.128 4.222 4.350 0.001 0.000 0.191 251 E C 2.227 178.762 176.600 -0.107 0.000 0.982 251 E CA 0.922 57.280 56.400 -0.069 0.000 0.823 251 E CB 0.189 29.859 29.700 -0.050 0.000 0.766 251 E HN 0.360 nan 8.360 nan 0.000 0.468 252 V N 1.384 121.221 119.914 -0.129 0.000 2.358 252 V HA -0.236 3.884 4.120 0.001 0.000 0.246 252 V C 2.245 178.202 176.094 -0.228 0.000 1.047 252 V CA 1.562 63.784 62.300 -0.130 0.000 1.035 252 V CB -0.437 31.327 31.823 -0.098 0.000 0.658 252 V HN 0.191 nan 8.190 nan 0.000 0.452 253 R N -0.090 120.180 120.500 -0.383 0.000 2.083 253 R HA -0.240 4.100 4.340 0.001 0.000 0.237 253 R C 2.401 178.547 176.300 -0.257 0.000 1.137 253 R CA 2.036 57.716 56.100 -0.700 0.000 0.951 253 R CB -0.357 29.456 30.300 -0.812 0.000 0.851 253 R HN 0.621 nan 8.270 nan 0.000 0.434 254 E N 0.408 120.533 120.200 -0.126 0.000 2.077 254 E HA -0.178 4.172 4.350 0.001 0.000 0.193 254 E C 1.929 178.495 176.600 -0.055 0.000 0.989 254 E CA 1.124 57.514 56.400 -0.015 0.000 0.800 254 E CB -0.019 29.693 29.700 0.020 0.000 0.746 254 E HN 0.375 nan 8.360 nan 0.000 0.452 255 A N 0.881 123.624 122.820 -0.128 0.000 1.933 255 A HA -0.161 4.159 4.320 0.001 0.000 0.218 255 A C 2.129 179.563 177.584 -0.251 0.000 1.175 255 A CA 1.232 53.142 52.037 -0.212 0.000 0.628 255 A CB -0.555 18.267 19.000 -0.297 0.000 0.814 255 A HN 0.327 nan 8.150 nan 0.000 0.444 256 I N -0.494 119.967 120.570 -0.182 0.000 2.252 256 I HA -0.198 3.972 4.170 0.001 0.000 0.245 256 I C 2.430 178.575 176.117 0.046 0.000 1.102 256 I CA 1.155 62.420 61.300 -0.059 0.000 1.385 256 I CB -0.357 37.756 38.000 0.189 0.000 1.064 256 I HN 0.293 nan 8.210 nan 0.000 0.414 257 E N 1.024 121.294 120.200 0.117 0.000 2.110 257 E HA -0.213 4.138 4.350 0.001 0.000 0.193 257 E C 2.328 178.943 176.600 0.024 0.000 0.988 257 E CA 1.467 57.929 56.400 0.104 0.000 0.804 257 E CB -0.257 29.529 29.700 0.143 0.000 0.745 257 E HN 0.508 nan 8.360 nan 0.000 0.458 258 A N 1.169 123.979 122.820 -0.017 0.000 1.902 258 A HA -0.128 4.192 4.320 0.001 0.000 0.217 258 A C 2.341 179.890 177.584 -0.057 0.000 1.181 258 A CA 1.045 53.056 52.037 -0.043 0.000 0.623 258 A CB -0.689 18.266 19.000 -0.074 0.000 0.818 258 A HN 0.189 nan 8.150 nan 0.000 0.443 259 L N -1.071 120.099 121.223 -0.088 0.000 2.362 259 L HA -0.096 4.244 4.340 0.001 0.000 0.219 259 L C 2.047 178.899 176.870 -0.029 0.000 1.134 259 L CA 1.065 55.858 54.840 -0.079 0.000 0.807 259 L CB -0.221 41.760 42.059 -0.129 0.000 0.927 259 L HN 0.331 nan 8.230 nan 0.000 0.447 260 K N -0.118 120.275 120.400 -0.012 0.000 2.404 260 K HA 0.153 4.474 4.320 0.001 0.000 0.194 260 K C 1.088 177.685 176.600 -0.005 0.000 1.023 260 K CA 0.549 56.836 56.287 -0.000 0.000 1.094 260 K CB 0.414 32.918 32.500 0.006 0.000 0.841 260 K HN 0.322 nan 8.250 nan 0.000 0.523 261 G N 2.180 110.974 108.800 -0.009 0.000 2.149 261 G HA2 -0.255 3.706 3.960 0.001 0.000 0.235 261 G HA3 -0.255 3.706 3.960 0.001 0.000 0.235 261 G C -0.013 174.886 174.900 -0.002 0.000 1.018 261 G CA 0.112 45.207 45.100 -0.008 0.000 0.728 261 G HN 0.459 nan 8.290 nan 0.000 0.508 262 E N -0.500 119.703 120.200 0.005 0.000 2.876 262 E HA 0.390 4.740 4.350 0.001 0.000 0.208 262 E C 1.254 177.871 176.600 0.029 0.000 0.981 262 E CA 0.044 56.454 56.400 0.017 0.000 1.174 262 E CB 0.892 30.603 29.700 0.019 0.000 1.047 262 E HN 0.511 nan 8.360 nan 0.000 0.477 263 G N 2.291 111.100 108.800 0.016 0.000 2.522 263 G HA2 0.389 4.350 3.960 0.001 0.000 0.304 263 G HA3 0.389 4.350 3.960 0.001 0.000 0.304 263 G C -2.241 172.667 174.900 0.013 0.000 1.210 263 G CA -1.098 44.012 45.100 0.018 0.000 0.960 263 G HN -0.095 nan 8.290 nan 0.000 0.497 264 P HA 0.122 nan 4.420 nan 0.000 0.271 264 P C 1.035 178.329 177.300 -0.011 0.000 1.216 264 P CA 0.139 63.239 63.100 -0.001 0.000 0.776 264 P CB 1.313 33.003 31.700 -0.016 0.000 0.881 265 G N 2.981 111.776 108.800 -0.008 0.000 2.422 265 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 265 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 265 G C 1.092 175.982 174.900 -0.016 0.000 1.146 265 G CA 0.909 46.003 45.100 -0.011 0.000 0.769 265 G HN 0.636 nan 8.290 nan 0.000 0.547 266 D N 0.999 121.388 120.400 -0.019 0.000 2.117 266 D HA -0.117 4.524 4.640 0.001 0.000 0.198 266 D C 2.400 178.684 176.300 -0.026 0.000 0.982 266 D CA 0.955 54.943 54.000 -0.021 0.000 0.828 266 D CB -0.807 39.979 40.800 -0.024 0.000 0.967 266 D HN 0.287 nan 8.370 nan 0.000 0.464 267 L N -0.019 121.185 121.223 -0.031 0.000 2.012 267 L HA -0.070 4.270 4.340 0.001 0.000 0.210 267 L C 2.433 179.279 176.870 -0.039 0.000 1.073 267 L CA 1.276 56.093 54.840 -0.038 0.000 0.748 267 L CB -0.899 41.134 42.059 -0.044 0.000 0.891 267 L HN 0.062 nan 8.230 nan 0.000 0.431 268 L N -0.216 120.986 121.223 -0.035 0.000 2.046 268 L HA -0.221 4.119 4.340 0.001 0.000 0.208 268 L C 2.591 179.443 176.870 -0.031 0.000 1.077 268 L CA 2.014 56.833 54.840 -0.036 0.000 0.747 268 L CB -0.633 41.409 42.059 -0.028 0.000 0.896 268 L HN 0.504 nan 8.230 nan 0.000 0.432 269 E N -1.048 119.138 120.200 -0.024 0.000 2.058 269 E HA -0.216 4.134 4.350 0.001 0.000 0.194 269 E C 2.092 178.681 176.600 -0.019 0.000 0.997 269 E CA 1.839 58.228 56.400 -0.019 0.000 0.801 269 E CB 0.005 29.697 29.700 -0.014 0.000 0.746 269 E HN 0.369 nan 8.360 nan 0.000 0.450 270 V N 0.953 120.855 119.914 -0.021 0.000 2.453 270 V HA -0.197 3.923 4.120 0.001 0.000 0.247 270 V C 2.387 178.467 176.094 -0.023 0.000 1.048 270 V CA 1.562 63.851 62.300 -0.018 0.000 1.049 270 V CB -0.589 31.224 31.823 -0.017 0.000 0.672 270 V HN 0.402 nan 8.190 nan 0.000 0.457 271 A N -0.067 122.732 122.820 -0.036 0.000 1.877 271 A HA -0.167 4.153 4.320 0.001 0.000 0.216 271 A C 2.217 179.774 177.584 -0.044 0.000 1.186 271 A CA 1.811 53.819 52.037 -0.049 0.000 0.620 271 A CB -0.546 18.413 19.000 -0.069 0.000 0.822 271 A HN 0.490 nan 8.150 nan 0.000 0.443 272 L N -0.943 120.258 121.223 -0.038 0.000 2.093 272 L HA -0.168 4.173 4.340 0.001 0.000 0.208 272 L C 3.096 179.953 176.870 -0.021 0.000 1.085 272 L CA 0.922 55.743 54.840 -0.032 0.000 0.755 272 L CB -0.533 41.509 42.059 -0.027 0.000 0.904 272 L HN 0.455 nan 8.230 nan 0.000 0.435 273 A N 0.193 123.003 122.820 -0.016 0.000 1.902 273 A HA -0.164 4.156 4.320 0.001 0.000 0.217 273 A C 2.236 179.818 177.584 -0.003 0.000 1.181 273 A CA 1.418 53.450 52.037 -0.008 0.000 0.623 273 A CB -0.613 18.384 19.000 -0.005 0.000 0.818 273 A HN 0.348 nan 8.150 nan 0.000 0.443 274 L N -0.933 120.288 121.223 -0.003 0.000 2.027 274 L HA -0.144 4.197 4.340 0.001 0.000 0.206 274 L C 3.114 179.990 176.870 0.010 0.000 1.074 274 L CA 1.002 55.848 54.840 0.010 0.000 0.745 274 L CB -0.560 41.507 42.059 0.012 0.000 0.898 274 L HN 0.422 nan 8.230 nan 0.000 0.433 275 A N -0.020 122.794 122.820 -0.010 0.000 1.902 275 A HA -0.236 4.084 4.320 0.001 0.000 0.217 275 A C 2.155 179.735 177.584 -0.006 0.000 1.181 275 A CA 1.760 53.789 52.037 -0.014 0.000 0.623 275 A CB -0.475 18.499 19.000 -0.043 0.000 0.818 275 A HN 0.438 nan 8.150 nan 0.000 0.443 276 E N -0.472 119.722 120.200 -0.010 0.000 2.110 276 E HA -0.179 4.172 4.350 0.001 0.000 0.193 276 E C 1.983 178.582 176.600 -0.001 0.000 0.988 276 E CA 1.148 57.543 56.400 -0.009 0.000 0.804 276 E CB -0.065 29.629 29.700 -0.010 0.000 0.745 276 E HN 0.512 nan 8.360 nan 0.000 0.458 277 E N 0.290 120.494 120.200 0.007 0.000 2.106 277 E HA -0.143 4.208 4.350 0.001 0.000 0.192 277 E C 2.007 178.619 176.600 0.020 0.000 0.984 277 E CA 0.964 57.372 56.400 0.013 0.000 0.806 277 E CB -0.238 29.474 29.700 0.019 0.000 0.750 277 E HN 0.255 nan 8.360 nan 0.000 0.458 278 A N 1.211 124.049 122.820 0.029 0.000 1.902 278 A HA -0.126 4.194 4.320 0.001 0.000 0.217 278 A C 2.399 179.995 177.584 0.021 0.000 1.181 278 A CA 1.047 53.110 52.037 0.043 0.000 0.623 278 A CB -0.710 18.333 19.000 0.072 0.000 0.818 278 A HN 0.179 nan 8.150 nan 0.000 0.443 279 L N -1.040 120.183 121.223 -0.001 0.000 2.046 279 L HA -0.205 4.135 4.340 0.001 0.000 0.208 279 L C 2.881 179.733 176.870 -0.030 0.000 1.077 279 L CA 1.520 56.340 54.840 -0.033 0.000 0.747 279 L CB -0.527 41.509 42.059 -0.039 0.000 0.896 279 L HN 0.359 nan 8.230 nan 0.000 0.432 280 R N 0.021 120.514 120.500 -0.012 0.000 2.091 280 R HA -0.151 4.189 4.340 0.001 0.000 0.238 280 R C 2.298 178.600 176.300 0.003 0.000 1.136 280 R CA 1.214 57.311 56.100 -0.006 0.000 0.959 280 R CB -0.466 29.834 30.300 -0.000 0.000 0.856 280 R HN 0.350 nan 8.270 nan 0.000 0.437 281 L N 0.678 121.909 121.223 0.013 0.000 2.083 281 L HA -0.152 4.188 4.340 0.001 0.000 0.209 281 L C 1.906 178.796 176.870 0.033 0.000 1.083 281 L CA 1.067 55.922 54.840 0.025 0.000 0.752 281 L CB -0.243 41.836 42.059 0.033 0.000 0.899 281 L HN 0.124 nan 8.230 nan 0.000 0.433 282 E N 0.043 120.257 120.200 0.024 0.000 2.489 282 E HA 0.039 4.390 4.350 0.001 0.000 0.193 282 E C 1.374 177.980 176.600 0.009 0.000 1.057 282 E CA 0.671 57.097 56.400 0.044 0.000 0.866 282 E CB 0.266 29.967 29.700 0.002 0.000 0.916 282 E HN 0.475 nan 8.360 nan 0.000 0.500 283 G N 1.422 110.219 108.800 -0.004 0.000 2.160 283 G HA2 -0.294 3.666 3.960 0.001 0.000 0.251 283 G HA3 -0.294 3.666 3.960 0.001 0.000 0.251 283 G C 0.210 175.085 174.900 -0.042 0.000 1.008 283 G CA 0.406 45.503 45.100 -0.005 0.000 0.724 283 G HN 0.218 nan 8.290 nan 0.000 0.514 284 L N 0.039 121.209 121.223 -0.089 0.000 2.375 284 L HA 0.452 4.792 4.340 0.001 0.000 0.268 284 L C 0.513 177.346 176.870 -0.062 0.000 1.058 284 L CA -1.075 53.698 54.840 -0.112 0.000 0.803 284 L CB 0.946 42.886 42.059 -0.198 0.000 1.212 284 L HN 0.064 nan 8.230 nan 0.000 0.451 285 D N 3.415 123.786 120.400 -0.049 0.000 2.382 285 D HA 0.029 4.669 4.640 0.001 0.000 0.259 285 D C -1.511 174.771 176.300 -0.031 0.000 1.224 285 D CA -1.384 52.597 54.000 -0.031 0.000 0.894 285 D CB 1.444 42.230 40.800 -0.023 0.000 1.127 285 D HN 0.255 nan 8.370 nan 0.000 0.487 286 P HA -0.137 nan 4.420 nan 0.000 0.221 286 P C 0.958 178.246 177.300 -0.020 0.000 1.145 286 P CA 0.618 63.706 63.100 -0.021 0.000 0.795 286 P CB 0.181 31.872 31.700 -0.015 0.000 0.775 287 A N 0.136 122.946 122.820 -0.018 0.000 2.070 287 A HA -0.116 4.204 4.320 0.001 0.000 0.220 287 A C 2.300 179.873 177.584 -0.017 0.000 1.159 287 A CA 0.940 52.968 52.037 -0.015 0.000 0.656 287 A CB -1.520 17.473 19.000 -0.012 0.000 0.800 287 A HN 0.164 nan 8.150 nan 0.000 0.453 288 L N -1.009 120.202 121.223 -0.021 0.000 2.131 288 L HA -0.225 4.116 4.340 0.001 0.000 0.210 288 L C 3.045 179.902 176.870 -0.023 0.000 1.092 288 L CA 0.889 55.716 54.840 -0.022 0.000 0.759 288 L CB -0.608 41.434 42.059 -0.029 0.000 0.903 288 L HN 0.458 nan 8.230 nan 0.000 0.435 289 A N 0.338 123.143 122.820 -0.026 0.000 1.845 289 A HA -0.265 4.055 4.320 0.001 0.000 0.215 289 A C 2.453 180.020 177.584 -0.028 0.000 1.195 289 A CA 1.932 53.951 52.037 -0.030 0.000 0.616 289 A CB -0.617 18.364 19.000 -0.031 0.000 0.832 289 A HN 0.335 nan 8.150 nan 0.000 0.443 290 R N -0.209 120.277 120.500 -0.023 0.000 2.120 290 R HA -0.151 4.189 4.340 0.001 0.000 0.234 290 R C 2.293 178.583 176.300 -0.017 0.000 1.123 290 R CA 1.796 57.883 56.100 -0.021 0.000 0.975 290 R CB -0.226 30.064 30.300 -0.017 0.000 0.866 290 R HN 0.600 nan 8.270 nan 0.000 0.446 291 K N -0.032 120.359 120.400 -0.015 0.000 2.026 291 K HA -0.130 4.190 4.320 0.001 0.000 0.208 291 K C 1.890 178.484 176.600 -0.011 0.000 1.048 291 K CA 1.536 57.816 56.287 -0.011 0.000 0.929 291 K CB -0.193 32.301 32.500 -0.010 0.000 0.713 291 K HN 0.227 nan 8.250 nan 0.000 0.439 292 A N 1.230 124.041 122.820 -0.014 0.000 1.933 292 A HA -0.137 4.183 4.320 0.001 0.000 0.218 292 A C 2.025 179.600 177.584 -0.014 0.000 1.175 292 A CA 1.278 53.308 52.037 -0.012 0.000 0.628 292 A CB -0.486 18.504 19.000 -0.017 0.000 0.814 292 A HN 0.404 nan 8.150 nan 0.000 0.444 293 L N 0.047 121.257 121.223 -0.022 0.000 2.007 293 L HA -0.057 4.283 4.340 0.001 0.000 0.205 293 L C 2.173 179.033 176.870 -0.018 0.000 1.073 293 L CA 2.341 57.165 54.840 -0.026 0.000 0.744 293 L CB -0.675 41.363 42.059 -0.035 0.000 0.898 293 L HN 0.487 nan 8.230 nan 0.000 0.435 294 E N -0.690 119.501 120.200 -0.015 0.000 2.268 294 E HA -0.102 4.248 4.350 0.001 0.000 0.195 294 E C 1.859 178.456 176.600 -0.006 0.000 0.995 294 E CA 0.803 57.197 56.400 -0.010 0.000 0.836 294 E CB -0.335 29.359 29.700 -0.010 0.000 0.763 294 E HN 0.687 nan 8.360 nan 0.000 0.491 295 G N 0.048 108.846 108.800 -0.004 0.000 2.777 295 G HA2 0.129 4.090 3.960 0.001 0.000 0.211 295 G HA3 0.129 4.090 3.960 0.001 0.000 0.211 295 G C 1.147 176.050 174.900 0.004 0.000 1.149 295 G CA 0.318 45.418 45.100 0.000 0.000 0.785 295 G HN 0.397 nan 8.290 nan 0.000 0.536 296 G N -0.648 108.155 108.800 0.005 0.000 2.195 296 G HA2 -0.074 3.887 3.960 0.001 0.000 0.246 296 G HA3 -0.074 3.887 3.960 0.001 0.000 0.246 296 G C 1.413 176.326 174.900 0.023 0.000 0.984 296 G CA 1.034 46.142 45.100 0.014 0.000 0.633 296 G HN 1.137 nan 8.290 nan 0.000 0.525 297 A N 0.462 123.293 122.820 0.018 0.000 1.933 297 A HA 0.415 4.736 4.320 0.001 0.000 0.218 297 A C 2.799 180.404 177.584 0.034 0.000 1.175 297 A CA 2.688 54.739 52.037 0.025 0.000 0.628 297 A CB -0.774 18.236 19.000 0.016 0.000 0.814 297 A HN 1.792 nan 8.150 nan 0.000 0.444 298 A N -0.439 122.393 122.820 0.021 0.000 1.898 298 A HA -0.010 4.310 4.320 0.001 0.000 0.216 298 A C 2.111 179.737 177.584 0.069 0.000 1.181 298 A CA 1.643 53.693 52.037 0.021 0.000 0.620 298 A CB -0.614 18.374 19.000 -0.020 0.000 0.819 298 A HN 0.698 nan 8.150 nan 0.000 0.442 299 L N 0.174 121.435 121.223 0.063 0.000 2.083 299 L HA -0.159 4.182 4.340 0.001 0.000 0.209 299 L C 2.240 179.211 176.870 0.168 0.000 1.083 299 L CA 2.669 57.578 54.840 0.115 0.000 0.752 299 L CB -0.569 41.535 42.059 0.074 0.000 0.899 299 L HN 0.612 nan 8.230 nan 0.000 0.433 300 E N -0.890 119.377 120.200 0.111 0.000 2.077 300 E HA -0.234 4.116 4.350 0.001 0.000 0.193 300 E C 1.954 178.628 176.600 0.124 0.000 0.989 300 E CA 0.982 57.443 56.400 0.101 0.000 0.800 300 E CB 0.075 29.815 29.700 0.066 0.000 0.746 300 E HN 0.324 nan 8.360 nan 0.000 0.452 301 K N 0.132 120.610 120.400 0.131 0.000 2.057 301 K HA -0.140 4.181 4.320 0.001 0.000 0.206 301 K C 1.972 178.712 176.600 0.232 0.000 1.050 301 K CA 0.835 57.208 56.287 0.143 0.000 0.935 301 K CB -0.594 31.967 32.500 0.101 0.000 0.715 301 K HN 0.200 nan 8.250 nan 0.000 0.439 302 F N 2.176 122.197 119.950 0.117 0.000 2.134 302 F HA -0.172 4.355 4.527 0.001 0.000 0.299 302 F C 2.574 178.522 175.800 0.247 0.000 1.097 302 F CA 1.511 59.639 58.000 0.213 0.000 1.264 302 F CB -0.146 38.930 39.000 0.127 0.000 1.001 302 F HN -0.065 nan 8.300 nan 0.000 0.479 303 R N 0.117 120.726 120.500 0.183 0.000 2.081 303 R HA -0.145 4.195 4.340 0.001 0.000 0.235 303 R C 2.352 178.648 176.300 -0.006 0.000 1.131 303 R CA 1.351 57.480 56.100 0.048 0.000 0.960 303 R CB -0.644 29.718 30.300 0.103 0.000 0.856 303 R HN 0.360 nan 8.270 nan 0.000 0.436 304 A N 0.402 123.257 122.820 0.058 0.000 1.969 304 A HA -0.178 4.142 4.320 0.001 0.000 0.218 304 A C 1.911 179.531 177.584 0.060 0.000 1.169 304 A CA 1.223 53.290 52.037 0.051 0.000 0.635 304 A CB -0.707 18.337 19.000 0.074 0.000 0.810 304 A HN 0.574 nan 8.150 nan 0.000 0.445 305 F N 0.672 120.593 119.950 -0.049 0.000 2.113 305 F HA -0.089 4.438 4.527 0.001 0.000 0.297 305 F C 1.754 177.543 175.800 -0.018 0.000 1.103 305 F CA 1.506 59.487 58.000 -0.032 0.000 1.248 305 F CB -0.506 38.474 39.000 -0.034 0.000 0.999 305 F HN 0.126 nan 8.300 nan 0.000 0.475 306 L N 0.361 121.181 121.223 -0.671 0.000 2.017 306 L HA -0.211 4.129 4.340 0.001 0.000 0.208 306 L C 2.648 179.355 176.870 -0.273 0.000 1.073 306 L CA 2.079 56.547 54.840 -0.621 0.000 0.745 306 L CB -0.912 40.850 42.059 -0.495 0.000 0.894 306 L HN 0.288 nan 8.230 nan 0.000 0.432 307 E N 0.296 120.389 120.200 -0.179 0.000 2.077 307 E HA -0.241 4.109 4.350 0.001 0.000 0.193 307 E C 2.174 178.711 176.600 -0.105 0.000 0.989 307 E CA 1.182 57.519 56.400 -0.104 0.000 0.800 307 E CB -0.008 29.657 29.700 -0.058 0.000 0.746 307 E HN 0.454 nan 8.360 nan 0.000 0.452 308 A N 0.509 123.270 122.820 -0.099 0.000 2.019 308 A HA -0.160 4.160 4.320 0.001 0.000 0.219 308 A C 1.712 179.218 177.584 -0.130 0.000 1.164 308 A CA 1.189 53.181 52.037 -0.075 0.000 0.644 308 A CB -0.173 18.820 19.000 -0.012 0.000 0.805 308 A HN 0.326 nan 8.150 nan 0.000 0.449 309 Q N -1.693 117.969 119.800 -0.230 0.000 2.201 309 Q HA 0.341 4.681 4.340 0.001 0.000 0.217 309 Q C 0.961 176.724 176.000 -0.394 0.000 0.860 309 Q CA 0.252 55.832 55.803 -0.372 0.000 0.984 309 Q CB 0.449 28.821 28.738 -0.610 0.000 1.095 309 Q HN 0.793 nan 8.270 nan 0.000 0.477 310 G N 0.392 109.060 108.800 -0.221 0.000 2.241 310 G HA2 -0.257 3.703 3.960 0.001 0.000 0.244 310 G HA3 -0.257 3.703 3.960 0.001 0.000 0.244 310 G C 0.523 175.372 174.900 -0.086 0.000 0.998 310 G CA -0.365 44.643 45.100 -0.154 0.000 0.621 310 G HN 0.550 nan 8.290 nan 0.000 0.519 311 G N 0.101 108.872 108.800 -0.048 0.000 2.554 311 G HA2 0.387 4.348 3.960 0.001 0.000 0.238 311 G HA3 0.387 4.348 3.960 0.001 0.000 0.238 311 G C -0.293 174.594 174.900 -0.021 0.000 1.259 311 G CA 0.549 45.669 45.100 0.033 0.000 0.843 311 G HN 0.270 nan 8.290 nan 0.000 0.582 312 D N 2.085 122.480 120.400 -0.009 0.000 2.338 312 D HA 0.132 4.772 4.640 0.001 0.000 0.255 312 D C -0.801 175.493 176.300 -0.010 0.000 1.237 312 D CA -1.906 52.088 54.000 -0.010 0.000 0.883 312 D CB 1.643 42.444 40.800 0.001 0.000 1.087 312 D HN 0.093 nan 8.370 nan 0.000 0.485 313 P HA -0.122 nan 4.420 nan 0.000 0.225 313 P C 0.989 178.305 177.300 0.028 0.000 1.148 313 P CA 0.577 63.675 63.100 -0.004 0.000 0.779 313 P CB 0.405 32.100 31.700 -0.008 0.000 0.780 314 R N 0.244 120.759 120.500 0.026 0.000 2.152 314 R HA 0.000 4.340 4.340 0.001 0.000 0.232 314 R C 2.505 178.847 176.300 0.070 0.000 1.117 314 R CA 1.184 57.307 56.100 0.037 0.000 0.981 314 R CB -0.953 29.362 30.300 0.026 0.000 0.870 314 R HN 0.141 nan 8.270 nan 0.000 0.451 315 A N 0.699 123.568 122.820 0.081 0.000 2.024 315 A HA -0.137 4.184 4.320 0.001 0.000 0.220 315 A C 2.250 179.979 177.584 0.242 0.000 1.164 315 A CA 1.376 53.494 52.037 0.136 0.000 0.643 315 A CB -0.456 18.593 19.000 0.082 0.000 0.806 315 A HN 0.135 nan 8.150 nan 0.000 0.451 316 V N -0.413 119.620 119.914 0.198 0.000 2.407 316 V HA -0.220 3.900 4.120 0.001 0.000 0.248 316 V C 2.351 178.545 176.094 0.166 0.000 1.055 316 V CA 2.410 64.858 62.300 0.248 0.000 1.049 316 V CB -0.588 31.353 31.823 0.196 0.000 0.662 316 V HN 0.622 nan 8.190 nan 0.000 0.455 317 E N -0.759 119.486 120.200 0.075 0.000 2.307 317 E HA 0.048 4.398 4.350 0.001 0.000 0.195 317 E C 0.560 177.104 176.600 -0.094 0.000 0.975 317 E CA 0.344 56.723 56.400 -0.034 0.000 0.878 317 E CB 0.168 29.857 29.700 -0.018 0.000 0.845 317 E HN 0.536 nan 8.360 nan 0.000 0.488 318 D N -0.488 119.923 120.400 0.019 0.000 2.454 318 D HA 0.109 4.749 4.640 0.001 0.000 0.247 318 D C -0.429 175.999 176.300 0.213 0.000 1.129 318 D CA -0.455 53.565 54.000 0.033 0.000 0.877 318 D CB 0.181 40.999 40.800 0.030 0.000 1.082 318 D HN -0.183 nan 8.370 nan 0.000 0.537 319 F N 1.780 121.722 119.950 -0.014 0.000 2.722 319 F HA -0.016 4.511 4.527 0.001 0.000 0.298 319 F C 2.419 178.202 175.800 -0.029 0.000 1.175 319 F CA 0.217 58.202 58.000 -0.024 0.000 1.462 319 F CB -1.022 37.955 39.000 -0.038 0.000 1.111 319 F HN 0.384 nan 8.300 nan 0.000 0.592 320 S N -0.037 115.757 115.700 0.157 0.000 2.423 320 S HA -0.075 4.396 4.470 0.001 0.000 0.231 320 S C 1.942 176.574 174.600 0.055 0.000 1.014 320 S CA 0.646 58.892 58.200 0.077 0.000 0.965 320 S CB -0.126 63.103 63.200 0.048 0.000 0.785 320 S HN 0.427 nan 8.310 nan 0.000 0.495 321 L N 0.587 121.851 121.223 0.068 0.000 2.554 321 L HA 0.269 4.609 4.340 0.001 0.000 0.226 321 L C 0.204 177.078 176.870 0.006 0.000 1.137 321 L CA 0.421 55.283 54.840 0.036 0.000 0.863 321 L CB -0.085 42.001 42.059 0.045 0.000 0.985 321 L HN 0.264 nan 8.230 nan 0.000 0.451 322 L N 1.770 122.990 121.223 -0.005 0.000 2.784 322 L HA 0.319 4.659 4.340 0.001 0.000 0.241 322 L C -2.218 174.603 176.870 -0.082 0.000 1.352 322 L CA -1.544 53.250 54.840 -0.077 0.000 0.911 322 L CB 0.442 42.391 42.059 -0.183 0.000 1.227 322 L HN -0.122 nan 8.230 nan 0.000 0.501 323 P HA 0.109 nan 4.420 nan 0.000 0.268 323 P C -0.586 176.671 177.300 -0.070 0.000 1.205 323 P CA 0.205 63.281 63.100 -0.041 0.000 0.771 323 P CB 1.429 33.122 31.700 -0.013 0.000 0.858 324 L N 1.512 122.679 121.223 -0.094 0.000 2.313 324 L HA 0.659 5.000 4.340 0.001 0.000 0.268 324 L C 1.138 178.003 176.870 -0.008 0.000 1.010 324 L CA -1.177 53.582 54.840 -0.135 0.000 0.814 324 L CB 1.498 43.312 42.059 -0.407 0.000 1.304 324 L HN 0.396 nan 8.230 nan 0.000 0.441 325 A N 0.734 123.589 122.820 0.059 0.000 2.495 325 A HA 0.252 4.572 4.320 0.001 0.000 0.260 325 A C 0.003 177.630 177.584 0.072 0.000 1.608 325 A CA -0.291 51.778 52.037 0.055 0.000 0.834 325 A CB 0.006 19.025 19.000 0.031 0.000 1.526 325 A HN 0.742 nan 8.150 nan 0.000 0.578 326 E N 0.579 120.694 120.200 -0.140 0.000 2.344 326 E HA 0.175 4.525 4.350 0.001 0.000 0.270 326 E C -0.427 176.011 176.600 -0.271 0.000 1.021 326 E CA -0.010 56.245 56.400 -0.242 0.000 0.887 326 E CB 0.679 30.110 29.700 -0.448 0.000 0.997 326 E HN 0.534 nan 8.360 nan 0.000 0.429 327 E N 3.022 123.144 120.200 -0.131 0.000 2.259 327 E HA 0.073 4.423 4.350 0.001 0.000 0.281 327 E C -1.182 175.390 176.600 -0.046 0.000 1.027 327 E CA -0.410 55.826 56.400 -0.273 0.000 0.838 327 E CB 0.628 30.186 29.700 -0.237 0.000 1.066 327 E HN 0.413 nan 8.360 nan 0.000 0.401 328 H N 4.608 123.597 119.070 -0.136 0.000 2.782 328 H HA 0.422 4.978 4.556 0.001 0.000 0.347 328 H C -2.705 172.578 175.328 -0.075 0.000 1.038 328 H CA -2.251 53.786 56.048 -0.019 0.000 1.255 328 H CB 1.695 31.512 29.762 0.091 0.000 1.623 328 H HN 0.355 nan 8.280 nan 0.000 0.525 329 P HA 0.107 nan 4.420 nan 0.000 0.281 329 P C -1.041 175.962 177.300 -0.495 0.000 1.252 329 P CA -0.642 62.205 63.100 -0.423 0.000 0.778 329 P CB 0.799 32.330 31.700 -0.281 0.000 0.895 330 L N 4.808 125.880 121.223 -0.251 0.000 2.255 330 L HA 0.364 4.704 4.340 0.001 0.000 0.289 330 L C -0.084 176.682 176.870 -0.173 0.000 1.046 330 L CA -0.107 54.632 54.840 -0.169 0.000 0.816 330 L CB 0.060 42.063 42.059 -0.094 0.000 1.197 330 L HN 0.235 nan 8.230 nan 0.000 0.427 331 R N 4.178 124.588 120.500 -0.151 0.000 2.428 331 R HA 0.717 5.057 4.340 0.001 0.000 0.294 331 R C -0.129 176.097 176.300 -0.124 0.000 1.000 331 R CA -0.543 55.479 56.100 -0.130 0.000 0.960 331 R CB 1.268 31.507 30.300 -0.101 0.000 1.076 331 R HN 0.812 nan 8.270 nan 0.000 0.475 332 A N 2.126 124.868 122.820 -0.130 0.000 2.462 332 A HA 0.061 4.381 4.320 0.001 0.000 0.243 332 A C 0.170 177.712 177.584 -0.070 0.000 1.076 332 A CA -0.122 51.845 52.037 -0.117 0.000 0.773 332 A CB 0.188 19.122 19.000 -0.111 0.000 1.010 332 A HN 0.892 nan 8.150 nan 0.000 0.493 333 E N 1.031 121.200 120.200 -0.053 0.000 2.558 333 E HA 0.152 4.502 4.350 0.001 0.000 0.205 333 E C -0.170 176.417 176.600 -0.021 0.000 1.006 333 E CA 0.088 56.469 56.400 -0.032 0.000 0.961 333 E CB 0.456 30.141 29.700 -0.024 0.000 1.044 333 E HN 0.649 nan 8.360 nan 0.000 0.465 334 R N 0.432 120.918 120.500 -0.023 0.000 2.781 334 R HA 0.311 4.651 4.340 0.001 0.000 0.269 334 R C -0.863 175.431 176.300 -0.011 0.000 1.025 334 R CA -0.898 55.196 56.100 -0.010 0.000 0.914 334 R CB 1.389 31.690 30.300 0.000 0.000 1.236 334 R HN -0.072 nan 8.270 nan 0.000 0.465 335 E N 0.327 120.525 120.200 -0.004 0.000 2.212 335 E HA 0.717 5.067 4.350 0.001 0.000 0.270 335 E C 0.131 176.734 176.600 0.005 0.000 0.956 335 E CA -0.824 55.574 56.400 -0.003 0.000 0.825 335 E CB 2.043 31.742 29.700 -0.002 0.000 1.167 335 E HN 0.807 nan 8.360 nan 0.000 0.400 336 G N -0.295 108.509 108.800 0.006 0.000 2.339 336 G HA2 0.171 4.132 3.960 0.001 0.000 0.275 336 G HA3 0.171 4.132 3.960 0.001 0.000 0.275 336 G C -1.597 173.312 174.900 0.014 0.000 1.323 336 G CA -0.559 44.548 45.100 0.012 0.000 0.927 336 G HN 0.343 nan 8.290 nan 0.000 0.486 337 V N 0.271 120.198 119.914 0.021 0.000 2.540 337 V HA 0.570 4.690 4.120 0.001 0.000 0.302 337 V C 0.593 176.714 176.094 0.045 0.000 1.035 337 V CA -0.820 61.492 62.300 0.021 0.000 0.873 337 V CB 1.544 33.365 31.823 -0.004 0.000 0.992 337 V HN 0.852 nan 8.190 nan 0.000 0.428 338 V N 6.034 125.988 119.914 0.066 0.000 2.493 338 V HA 0.144 4.264 4.120 0.001 0.000 0.292 338 V C 1.299 177.428 176.094 0.059 0.000 1.016 338 V CA 0.468 62.829 62.300 0.102 0.000 1.097 338 V CB 0.310 32.224 31.823 0.152 0.000 0.947 338 V HN 0.854 nan 8.190 nan 0.000 0.479 339 R N 2.680 123.214 120.500 0.057 0.000 2.250 339 R HA 0.297 4.637 4.340 0.001 0.000 0.194 339 R C 0.553 176.865 176.300 0.020 0.000 0.927 339 R CA 0.158 56.285 56.100 0.046 0.000 1.052 339 R CB 0.909 31.246 30.300 0.063 0.000 1.055 339 R HN 0.826 nan 8.270 nan 0.000 0.537 340 E N 0.068 120.265 120.200 -0.004 0.000 2.390 340 E HA 0.257 4.607 4.350 0.001 0.000 0.280 340 E C -1.789 174.714 176.600 -0.160 0.000 0.992 340 E CA -0.570 55.799 56.400 -0.052 0.000 0.790 340 E CB 2.533 32.222 29.700 -0.018 0.000 1.248 340 E HN -0.182 nan 8.360 nan 0.000 0.447 341 V N 3.297 123.083 119.914 -0.212 0.000 2.439 341 V HA 0.149 4.270 4.120 0.001 0.000 0.277 341 V C -0.542 175.443 176.094 -0.181 0.000 1.008 341 V CA -0.894 61.181 62.300 -0.375 0.000 0.846 341 V CB 1.296 32.807 31.823 -0.520 0.000 1.031 341 V HN 0.699 nan 8.190 nan 0.000 0.441 342 D N 3.619 123.956 120.400 -0.106 0.000 2.426 342 D HA 0.094 4.734 4.640 0.001 0.000 0.261 342 D C 1.240 177.538 176.300 -0.004 0.000 1.245 342 D CA 0.764 54.759 54.000 -0.007 0.000 0.917 342 D CB 1.816 42.645 40.800 0.049 0.000 1.123 342 D HN 0.633 nan 8.370 nan 0.000 0.508 343 A N 4.775 127.607 122.820 0.021 0.000 1.933 343 A HA -0.257 4.063 4.320 0.001 0.000 0.218 343 A C 1.913 179.522 177.584 0.041 0.000 1.175 343 A CA 1.114 53.161 52.037 0.016 0.000 0.628 343 A CB -0.713 18.303 19.000 0.027 0.000 0.814 343 A HN 0.781 nan 8.150 nan 0.000 0.444 344 Y N 0.905 121.178 120.300 -0.045 0.000 2.128 344 Y HA -0.203 4.348 4.550 0.001 0.000 0.284 344 Y C 2.091 177.931 175.900 -0.099 0.000 1.154 344 Y CA 2.212 60.250 58.100 -0.104 0.000 1.149 344 Y CB -0.144 38.296 38.460 -0.033 0.000 0.976 344 Y HN 0.141 nan 8.280 nan 0.000 0.505 345 K N -0.218 120.062 120.400 -0.200 0.000 2.148 345 K HA -0.073 4.248 4.320 0.001 0.000 0.204 345 K C 2.221 178.711 176.600 -0.183 0.000 1.050 345 K CA 1.325 57.450 56.287 -0.271 0.000 0.942 345 K CB -0.835 31.640 32.500 -0.042 0.000 0.724 345 K HN 0.339 nan 8.250 nan 0.000 0.446 346 V N 0.758 120.614 119.914 -0.097 0.000 2.427 346 V HA -0.154 3.966 4.120 0.001 0.000 0.248 346 V C 2.428 178.475 176.094 -0.079 0.000 1.051 346 V CA 2.103 64.374 62.300 -0.049 0.000 1.048 346 V CB -0.965 30.839 31.823 -0.031 0.000 0.666 346 V HN 0.389 nan 8.190 nan 0.000 0.456 347 G N -0.301 108.427 108.800 -0.120 0.000 2.408 347 G HA2 -0.173 3.787 3.960 0.001 0.000 0.217 347 G HA3 -0.173 3.787 3.960 0.001 0.000 0.217 347 G C 1.574 176.374 174.900 -0.167 0.000 1.150 347 G CA 0.647 45.683 45.100 -0.108 0.000 0.776 347 G HN 0.466 nan 8.290 nan 0.000 0.542 348 L N 0.522 121.536 121.223 -0.348 0.000 2.141 348 L HA -0.019 4.321 4.340 0.001 0.000 0.209 348 L C 3.355 180.032 176.870 -0.321 0.000 1.094 348 L CA 0.829 55.371 54.840 -0.495 0.000 0.763 348 L CB -0.313 41.131 42.059 -1.026 0.000 0.908 348 L HN 0.316 nan 8.230 nan 0.000 0.437 349 A N -0.238 122.485 122.820 -0.163 0.000 1.873 349 A HA -0.134 4.187 4.320 0.001 0.000 0.215 349 A C 2.313 179.913 177.584 0.027 0.000 1.186 349 A CA 1.574 53.631 52.037 0.033 0.000 0.616 349 A CB -0.791 18.257 19.000 0.080 0.000 0.823 349 A HN 0.158 nan 8.150 nan 0.000 0.442 350 V N -0.066 119.847 119.914 -0.001 0.000 2.332 350 V HA -0.246 3.875 4.120 0.001 0.000 0.248 350 V C 2.513 178.605 176.094 -0.004 0.000 1.055 350 V CA 1.989 64.296 62.300 0.011 0.000 1.038 350 V CB -0.846 30.974 31.823 -0.005 0.000 0.651 350 V HN 0.596 nan 8.190 nan 0.000 0.450 351 L N 1.073 122.276 121.223 -0.032 0.000 2.017 351 L HA -0.099 4.241 4.340 0.001 0.000 0.208 351 L C 2.463 179.333 176.870 0.001 0.000 1.073 351 L CA 2.441 57.264 54.840 -0.028 0.000 0.745 351 L CB -1.027 41.003 42.059 -0.047 0.000 0.894 351 L HN 0.219 nan 8.230 nan 0.000 0.432 352 A N -0.657 122.175 122.820 0.020 0.000 1.978 352 A HA -0.157 4.164 4.320 0.001 0.000 0.220 352 A C 2.210 179.823 177.584 0.048 0.000 1.170 352 A CA 1.895 53.964 52.037 0.054 0.000 0.636 352 A CB -0.920 18.148 19.000 0.114 0.000 0.810 352 A HN 0.526 nan 8.150 nan 0.000 0.448 353 L N -1.545 119.709 121.223 0.052 0.000 2.478 353 L HA 0.113 4.453 4.340 0.001 0.000 0.223 353 L C 1.707 178.605 176.870 0.047 0.000 1.140 353 L CA 0.631 55.511 54.840 0.065 0.000 0.842 353 L CB -0.273 41.841 42.059 0.092 0.000 0.953 353 L HN 0.613 nan 8.230 nan 0.000 0.452 354 G N -0.599 108.215 108.800 0.023 0.000 2.144 354 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 354 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 354 G C 0.758 175.643 174.900 -0.026 0.000 0.988 354 G CA -0.023 45.079 45.100 0.004 0.000 0.659 354 G HN 0.433 nan 8.290 nan 0.000 0.522 355 G N -0.294 108.492 108.800 -0.025 0.000 3.042 355 G HA2 0.565 4.525 3.960 0.001 0.000 0.212 355 G HA3 0.565 4.525 3.960 0.001 0.000 0.212 355 G C 0.737 175.589 174.900 -0.080 0.000 1.166 355 G CA 0.973 46.037 45.100 -0.059 0.000 0.767 355 G HN 1.316 nan 8.290 nan 0.000 0.546 356 G N -0.301 108.463 108.800 -0.060 0.000 2.730 356 G HA2 0.619 4.580 3.960 0.001 0.000 0.289 356 G HA3 0.619 4.580 3.960 0.001 0.000 0.289 356 G C -0.874 173.999 174.900 -0.046 0.000 1.341 356 G CA -1.235 43.828 45.100 -0.061 0.000 0.932 356 G HN 0.444 nan 8.290 nan 0.000 0.481 357 R N -0.285 120.192 120.500 -0.038 0.000 2.562 357 R HA 0.549 4.890 4.340 0.001 0.000 0.298 357 R C -0.060 176.238 176.300 -0.002 0.000 0.961 357 R CA -0.921 55.168 56.100 -0.018 0.000 0.881 357 R CB 2.455 32.748 30.300 -0.012 0.000 1.159 357 R HN 0.416 nan 8.270 nan 0.000 0.450 358 K N 1.284 121.690 120.400 0.011 0.000 2.262 358 K HA 0.101 4.421 4.320 0.001 0.000 0.200 358 K C 0.160 176.779 176.600 0.032 0.000 1.049 358 K CA 0.762 57.064 56.287 0.026 0.000 0.979 358 K CB 0.321 32.839 32.500 0.030 0.000 0.773 358 K HN 0.471 nan 8.250 nan 0.000 0.474 359 R N 1.100 121.616 120.500 0.027 0.000 2.686 359 R HA 0.270 4.611 4.340 0.001 0.000 0.286 359 R C -0.839 175.479 176.300 0.030 0.000 0.969 359 R CA -0.737 55.382 56.100 0.031 0.000 0.898 359 R CB 1.989 32.307 30.300 0.030 0.000 1.183 359 R HN -0.110 nan 8.270 nan 0.000 0.456 360 K N 0.656 121.077 120.400 0.036 0.000 2.489 360 K HA 0.036 4.357 4.320 0.001 0.000 0.278 360 K C 0.941 177.560 176.600 0.032 0.000 1.000 360 K CA 1.383 57.692 56.287 0.036 0.000 1.012 360 K CB 0.492 33.020 32.500 0.045 0.000 0.903 360 K HN 0.927 nan 8.250 nan 0.000 0.485 361 G N 2.136 110.955 108.800 0.032 0.000 2.241 361 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 361 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 361 G C -0.127 174.791 174.900 0.030 0.000 0.998 361 G CA -0.127 44.992 45.100 0.032 0.000 0.621 361 G HN 0.648 nan 8.290 nan 0.000 0.519 362 E N 2.437 122.652 120.200 0.025 0.000 2.373 362 E HA 0.386 4.737 4.350 0.001 0.000 0.267 362 E C -1.811 174.801 176.600 0.021 0.000 1.032 362 E CA -1.157 55.256 56.400 0.022 0.000 0.889 362 E CB 1.107 30.817 29.700 0.016 0.000 0.984 362 E HN 0.337 nan 8.360 nan 0.000 0.425 363 P HA 0.221 nan 4.420 nan 0.000 0.276 363 P C -0.416 176.876 177.300 -0.013 0.000 1.261 363 P CA -0.161 62.957 63.100 0.031 0.000 0.800 363 P CB 0.794 32.527 31.700 0.054 0.000 1.066 364 I N -3.701 116.826 120.570 -0.072 0.000 3.174 364 I HA 0.541 4.712 4.170 0.001 0.000 0.313 364 I C -0.858 175.124 176.117 -0.225 0.000 1.155 364 I CA -1.151 60.050 61.300 -0.164 0.000 0.977 364 I CB 2.300 40.153 38.000 -0.245 0.000 1.248 364 I HN 0.035 nan 8.210 nan 0.000 0.453 365 D N 1.293 121.594 120.400 -0.165 0.000 2.347 365 D HA 0.250 4.890 4.640 0.001 0.000 0.235 365 D C 0.356 176.570 176.300 -0.143 0.000 1.149 365 D CA 0.018 53.972 54.000 -0.076 0.000 0.850 365 D CB 0.696 41.490 40.800 -0.011 0.000 1.061 365 D HN 0.612 nan 8.370 nan 0.000 0.487 366 H N 1.448 120.520 119.070 0.002 0.000 2.555 366 H HA 0.167 4.724 4.556 0.001 0.000 0.269 366 H C 1.894 177.204 175.328 -0.029 0.000 0.988 366 H CA 0.821 56.861 56.048 -0.014 0.000 1.178 366 H CB 0.629 30.380 29.762 -0.018 0.000 1.373 366 H HN 0.505 nan 8.280 nan 0.000 0.588 367 G N 0.565 109.410 108.800 0.074 0.000 2.838 367 G HA2 0.077 4.037 3.960 0.001 0.000 0.210 367 G HA3 0.077 4.037 3.960 0.001 0.000 0.210 367 G C 0.556 175.467 174.900 0.019 0.000 1.153 367 G CA 0.451 45.564 45.100 0.022 0.000 0.778 367 G HN 0.273 nan 8.290 nan 0.000 0.539 368 V N -2.264 117.677 119.914 0.046 0.000 2.997 368 V HA 0.982 5.103 4.120 0.001 0.000 0.311 368 V C 0.468 176.622 176.094 0.101 0.000 1.066 368 V CA -0.043 62.317 62.300 0.100 0.000 1.039 368 V CB 1.081 32.960 31.823 0.094 0.000 1.081 368 V HN 0.759 nan 8.190 nan 0.000 0.467 369 G N 0.627 109.538 108.800 0.186 0.000 2.345 369 G HA2 0.470 4.431 3.960 0.001 0.000 0.285 369 G HA3 0.470 4.431 3.960 0.001 0.000 0.285 369 G C -1.635 173.436 174.900 0.285 0.000 1.297 369 G CA -0.015 45.189 45.100 0.173 0.000 0.875 369 G HN 1.333 nan 8.290 nan 0.000 0.506 370 V N -0.066 119.997 119.914 0.248 0.000 2.876 370 V HA 0.693 4.813 4.120 0.001 0.000 0.312 370 V C -1.509 174.777 176.094 0.320 0.000 1.085 370 V CA -0.697 61.767 62.300 0.273 0.000 0.945 370 V CB 2.018 33.941 31.823 0.166 0.000 1.017 370 V HN 0.877 nan 8.190 nan 0.000 0.428 371 Y N 4.191 124.625 120.300 0.223 0.000 2.332 371 Y HA 0.612 5.163 4.550 0.001 0.000 0.326 371 Y C -0.463 175.522 175.900 0.142 0.000 0.978 371 Y CA -0.747 57.464 58.100 0.185 0.000 1.205 371 Y CB 1.411 40.030 38.460 0.265 0.000 1.131 371 Y HN 0.538 nan 8.280 nan 0.000 0.462 372 L N 7.739 128.846 121.223 -0.192 0.000 2.325 372 L HA 0.181 4.521 4.340 0.001 0.000 0.284 372 L C 0.783 177.591 176.870 -0.103 0.000 1.089 372 L CA 0.088 54.897 54.840 -0.051 0.000 0.836 372 L CB 0.759 42.790 42.059 -0.047 0.000 1.184 372 L HN 0.798 nan 8.230 nan 0.000 0.444 373 L N 2.391 123.650 121.223 0.059 0.000 2.307 373 L HA 0.104 4.444 4.340 0.001 0.000 0.211 373 L C 0.585 177.492 176.870 0.063 0.000 1.099 373 L CA 0.736 55.623 54.840 0.079 0.000 0.816 373 L CB -0.150 41.972 42.059 0.106 0.000 0.952 373 L HN 0.522 nan 8.230 nan 0.000 0.455 374 K N 1.357 121.819 120.400 0.105 0.000 2.358 374 K HA 0.436 4.756 4.320 0.001 0.000 0.260 374 K C -0.730 175.976 176.600 0.177 0.000 0.956 374 K CA -0.404 55.959 56.287 0.127 0.000 0.834 374 K CB 2.247 34.818 32.500 0.119 0.000 1.102 374 K HN -0.179 nan 8.250 nan 0.000 0.431 375 K N 1.763 122.211 120.400 0.080 0.000 2.258 375 K HA 0.523 4.844 4.320 0.001 0.000 0.236 375 K C -2.563 174.055 176.600 0.028 0.000 1.008 375 K CA -2.462 53.842 56.287 0.028 0.000 0.869 375 K CB 0.847 33.340 32.500 -0.012 0.000 1.171 375 K HN 0.162 nan 8.250 nan 0.000 0.447 376 P HA -0.095 nan 4.420 nan 0.000 0.263 376 P C 0.663 177.969 177.300 0.009 0.000 1.168 376 P CA 1.488 64.593 63.100 0.007 0.000 0.759 376 P CB 0.257 31.953 31.700 -0.006 0.000 0.782 377 G N 2.050 110.855 108.800 0.009 0.000 2.284 377 G HA2 -0.189 3.772 3.960 0.001 0.000 0.230 377 G HA3 -0.189 3.772 3.960 0.001 0.000 0.230 377 G C -0.084 174.816 174.900 -0.001 0.000 1.021 377 G CA -0.266 44.830 45.100 -0.007 0.000 0.619 377 G HN 0.522 nan 8.290 nan 0.000 0.510 378 D N 1.579 121.989 120.400 0.017 0.000 2.382 378 D HA 0.445 5.085 4.640 0.001 0.000 0.245 378 D C 0.942 177.254 176.300 0.020 0.000 1.120 378 D CA 0.096 54.108 54.000 0.020 0.000 0.890 378 D CB 0.576 41.398 40.800 0.035 0.000 1.201 378 D HN 0.424 nan 8.370 nan 0.000 0.433 379 R N 0.760 121.266 120.500 0.010 0.000 2.357 379 R HA 0.518 4.858 4.340 0.001 0.000 0.296 379 R C -0.499 175.804 176.300 0.006 0.000 1.052 379 R CA -0.725 55.379 56.100 0.006 0.000 0.988 379 R CB 1.705 32.004 30.300 -0.002 0.000 1.025 379 R HN 0.167 nan 8.270 nan 0.000 0.469 380 V N 2.391 122.307 119.914 0.003 0.000 2.709 380 V HA 0.273 4.393 4.120 0.001 0.000 0.308 380 V C -0.790 175.295 176.094 -0.015 0.000 1.062 380 V CA -0.627 61.667 62.300 -0.010 0.000 0.901 380 V CB 1.993 33.804 31.823 -0.020 0.000 1.003 380 V HN 0.831 nan 8.190 nan 0.000 0.425 381 E N 4.642 124.830 120.200 -0.019 0.000 2.248 381 E HA 0.450 4.801 4.350 0.001 0.000 0.272 381 E C -0.033 176.551 176.600 -0.028 0.000 1.008 381 E CA -0.918 55.471 56.400 -0.019 0.000 0.856 381 E CB 1.275 30.965 29.700 -0.015 0.000 1.120 381 E HN 0.738 nan 8.360 nan 0.000 0.397 382 R N 1.607 122.092 120.500 -0.024 0.000 2.537 382 R HA 0.028 4.368 4.340 0.001 0.000 0.281 382 R C 0.744 177.024 176.300 -0.033 0.000 0.988 382 R CA 1.657 57.740 56.100 -0.029 0.000 1.077 382 R CB -0.095 30.192 30.300 -0.021 0.000 0.932 382 R HN 0.828 nan 8.270 nan 0.000 0.409 383 G N 2.554 111.328 108.800 -0.043 0.000 2.225 383 G HA2 -0.342 3.618 3.960 0.001 0.000 0.254 383 G HA3 -0.342 3.618 3.960 0.001 0.000 0.254 383 G C 0.056 174.924 174.900 -0.054 0.000 0.988 383 G CA 0.386 45.459 45.100 -0.045 0.000 0.625 383 G HN 0.678 nan 8.290 nan 0.000 0.527 384 E N 0.992 121.159 120.200 -0.054 0.000 2.366 384 E HA 0.595 4.945 4.350 0.001 0.000 0.266 384 E C 0.815 177.367 176.600 -0.080 0.000 1.051 384 E CA -0.071 56.296 56.400 -0.055 0.000 0.884 384 E CB 0.662 30.337 29.700 -0.043 0.000 1.006 384 E HN 0.806 nan 8.360 nan 0.000 0.417 385 A N 5.166 127.942 122.820 -0.074 0.000 2.444 385 A HA 0.117 4.437 4.320 0.001 0.000 0.273 385 A C 0.789 178.312 177.584 -0.102 0.000 1.136 385 A CA -0.089 51.892 52.037 -0.093 0.000 0.799 385 A CB 0.081 19.039 19.000 -0.069 0.000 1.081 385 A HN 0.849 nan 8.150 nan 0.000 0.509 386 L N 1.639 122.754 121.223 -0.181 0.000 2.162 386 L HA 0.218 4.558 4.340 0.001 0.000 0.205 386 L C 1.249 178.042 176.870 -0.129 0.000 1.086 386 L CA 1.303 55.971 54.840 -0.286 0.000 0.778 386 L CB -0.205 41.440 42.059 -0.691 0.000 0.928 386 L HN 0.827 nan 8.230 nan 0.000 0.446 387 A N -0.793 121.980 122.820 -0.080 0.000 2.610 387 A HA 0.668 4.988 4.320 0.001 0.000 0.291 387 A C -1.560 176.037 177.584 0.021 0.000 1.086 387 A CA -0.545 51.518 52.037 0.045 0.000 0.677 387 A CB 1.141 20.206 19.000 0.109 0.000 1.278 387 A HN -0.028 nan 8.150 nan 0.000 0.414 388 L N 1.005 122.282 121.223 0.091 0.000 2.322 388 L HA 0.612 4.953 4.340 0.001 0.000 0.281 388 L C -0.874 175.945 176.870 -0.085 0.000 1.014 388 L CA -1.023 53.785 54.840 -0.053 0.000 0.815 388 L CB 1.760 43.785 42.059 -0.057 0.000 1.247 388 L HN 0.440 nan 8.230 nan 0.000 0.421 389 V N 3.143 122.967 119.914 -0.151 0.000 2.398 389 V HA 0.318 4.439 4.120 0.001 0.000 0.286 389 V C -0.871 175.125 176.094 -0.164 0.000 1.026 389 V CA -0.526 61.765 62.300 -0.014 0.000 0.868 389 V CB 1.306 33.215 31.823 0.142 0.000 0.982 389 V HN 0.399 nan 8.190 nan 0.000 0.443 390 Y N 4.984 125.370 120.300 0.142 0.000 2.385 390 Y HA 0.584 5.134 4.550 0.001 0.000 0.341 390 Y C 0.461 176.406 175.900 0.075 0.000 0.965 390 Y CA -0.530 57.605 58.100 0.059 0.000 1.180 390 Y CB 0.722 39.197 38.460 0.025 0.000 1.139 390 Y HN 0.892 nan 8.280 nan 0.000 0.502 391 H N -0.535 118.609 119.070 0.122 0.000 2.834 391 H HA 0.750 5.306 4.556 0.001 0.000 0.369 391 H C -0.547 174.819 175.328 0.063 0.000 1.174 391 H CA -1.668 54.425 56.048 0.075 0.000 1.165 391 H CB 1.534 31.312 29.762 0.026 0.000 1.820 391 H HN 0.345 nan 8.280 nan 0.000 0.558 392 R N 0.575 121.167 120.500 0.153 0.000 2.865 392 R HA 0.330 4.670 4.340 0.001 0.000 0.370 392 R C -0.487 175.913 176.300 0.166 0.000 1.168 392 R CA -0.506 55.651 56.100 0.094 0.000 1.058 392 R CB -0.475 29.863 30.300 0.064 0.000 1.419 392 R HN 0.796 nan 8.270 nan 0.000 0.580 393 R N 0.562 121.285 120.500 0.372 0.000 3.405 393 R HA -0.239 4.101 4.340 0.001 0.000 0.258 393 R C -0.792 175.555 176.300 0.078 0.000 1.030 393 R CA 1.017 57.240 56.100 0.204 0.000 0.691 393 R CB -1.269 29.112 30.300 0.134 0.000 1.093 393 R HN 0.327 nan 8.270 nan 0.000 0.448 394 R N -0.400 120.145 120.500 0.075 0.000 2.538 394 R HA 0.272 4.612 4.340 0.001 0.000 0.292 394 R C 0.645 176.958 176.300 0.021 0.000 1.008 394 R CA -0.058 56.065 56.100 0.038 0.000 0.896 394 R CB 1.920 32.248 30.300 0.047 0.000 1.187 394 R HN 0.315 nan 8.270 nan 0.000 0.440 395 G N 2.336 111.136 108.800 -0.000 0.000 2.321 395 G HA2 -0.293 3.667 3.960 0.001 0.000 0.287 395 G HA3 -0.293 3.667 3.960 0.001 0.000 0.287 395 G C 0.587 175.474 174.900 -0.022 0.000 1.018 395 G CA 0.670 45.768 45.100 -0.003 0.000 0.855 395 G HN 0.537 nan 8.290 nan 0.000 0.507 396 L N 0.120 121.294 121.223 -0.081 0.000 2.093 396 L HA 0.127 4.467 4.340 0.001 0.000 0.208 396 L C 2.465 179.261 176.870 -0.123 0.000 1.085 396 L CA 2.897 57.646 54.840 -0.150 0.000 0.755 396 L CB -0.353 41.480 42.059 -0.377 0.000 0.904 396 L HN 0.523 nan 8.230 nan 0.000 0.435 397 E N -0.654 119.477 120.200 -0.114 0.000 2.051 397 E HA -0.292 4.059 4.350 0.001 0.000 0.192 397 E C 2.117 178.669 176.600 -0.080 0.000 0.991 397 E CA 1.466 57.809 56.400 -0.094 0.000 0.799 397 E CB -0.186 29.464 29.700 -0.083 0.000 0.748 397 E HN 0.657 nan 8.360 nan 0.000 0.449 398 E N -0.187 119.973 120.200 -0.066 0.000 2.077 398 E HA -0.205 4.145 4.350 0.001 0.000 0.193 398 E C 1.966 178.533 176.600 -0.056 0.000 0.989 398 E CA 0.907 57.252 56.400 -0.093 0.000 0.800 398 E CB -0.128 29.562 29.700 -0.016 0.000 0.746 398 E HN 0.340 nan 8.360 nan 0.000 0.452 399 A N 1.233 124.078 122.820 0.042 0.000 1.883 399 A HA -0.176 4.144 4.320 0.001 0.000 0.217 399 A C 2.223 179.852 177.584 0.076 0.000 1.186 399 A CA 1.259 53.360 52.037 0.106 0.000 0.624 399 A CB -0.728 18.320 19.000 0.081 0.000 0.822 399 A HN 0.294 nan 8.150 nan 0.000 0.444 400 L N -0.770 120.468 121.223 0.024 0.000 2.131 400 L HA -0.112 4.228 4.340 0.001 0.000 0.210 400 L C 2.805 179.680 176.870 0.008 0.000 1.092 400 L CA 0.946 55.806 54.840 0.033 0.000 0.759 400 L CB -0.836 41.234 42.059 0.019 0.000 0.903 400 L HN 0.503 nan 8.230 nan 0.000 0.435 401 G N -1.051 107.712 108.800 -0.061 0.000 2.421 401 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 401 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 401 G C 1.389 176.236 174.900 -0.089 0.000 1.171 401 G CA 0.453 45.484 45.100 -0.115 0.000 0.775 401 G HN 0.342 nan 8.290 nan 0.000 0.543 402 H N -0.344 118.729 119.070 0.006 0.000 2.353 402 H HA 0.006 4.563 4.556 0.001 0.000 0.300 402 H C 2.567 177.910 175.328 0.026 0.000 1.090 402 H CA 1.131 57.176 56.048 -0.006 0.000 1.327 402 H CB -0.436 29.301 29.762 -0.043 0.000 1.383 402 H HN 0.239 nan 8.280 nan 0.000 0.508 403 L N 1.212 122.540 121.223 0.175 0.000 2.046 403 L HA -0.119 4.221 4.340 0.001 0.000 0.208 403 L C 2.530 179.534 176.870 0.223 0.000 1.077 403 L CA 1.387 56.337 54.840 0.184 0.000 0.747 403 L CB -0.344 41.815 42.059 0.168 0.000 0.896 403 L HN 0.021 nan 8.230 nan 0.000 0.432 404 R N -0.619 119.963 120.500 0.138 0.000 2.081 404 R HA -0.149 4.191 4.340 0.001 0.000 0.235 404 R C 2.084 178.469 176.300 0.141 0.000 1.131 404 R CA 1.634 57.804 56.100 0.117 0.000 0.960 404 R CB -0.309 30.019 30.300 0.047 0.000 0.856 404 R HN 0.511 nan 8.270 nan 0.000 0.436 405 E N 0.396 120.664 120.200 0.112 0.000 2.153 405 E HA -0.155 4.196 4.350 0.001 0.000 0.194 405 E C 1.983 178.651 176.600 0.113 0.000 0.988 405 E CA 1.005 57.467 56.400 0.102 0.000 0.811 405 E CB -0.067 29.691 29.700 0.097 0.000 0.746 405 E HN 0.347 nan 8.360 nan 0.000 0.466 406 A N 0.817 123.709 122.820 0.120 0.000 1.933 406 A HA -0.137 4.184 4.320 0.001 0.000 0.218 406 A C 0.580 178.163 177.584 -0.001 0.000 1.175 406 A CA 0.868 52.935 52.037 0.050 0.000 0.628 406 A CB -0.467 18.540 19.000 0.012 0.000 0.814 406 A HN 0.169 nan 8.150 nan 0.000 0.444 407 Y N -0.238 120.081 120.300 0.032 0.000 2.402 407 Y HA 0.405 4.956 4.550 0.001 0.000 0.333 407 Y C 0.551 176.467 175.900 0.026 0.000 1.076 407 Y CA 0.284 58.399 58.100 0.025 0.000 1.299 407 Y CB 0.703 39.173 38.460 0.017 0.000 1.197 407 Y HN 0.271 nan 8.280 nan 0.000 0.517 408 A N 6.274 129.172 122.820 0.131 0.000 2.310 408 A HA 0.669 4.990 4.320 0.001 0.000 0.304 408 A C -1.110 176.537 177.584 0.105 0.000 1.231 408 A CA -0.639 51.456 52.037 0.097 0.000 0.799 408 A CB 0.347 19.379 19.000 0.053 0.000 1.162 408 A HN 0.780 nan 8.150 nan 0.000 0.486 409 L N 2.082 123.364 121.223 0.099 0.000 2.334 409 L HA 0.878 5.218 4.340 0.001 0.000 0.270 409 L C 0.841 177.746 176.870 0.059 0.000 1.018 409 L CA -0.423 54.466 54.840 0.082 0.000 0.811 409 L CB 2.264 44.365 42.059 0.071 0.000 1.271 409 L HN 0.859 nan 8.230 nan 0.000 0.443 410 G N -0.116 108.714 108.800 0.050 0.000 2.706 410 G HA2 0.280 4.240 3.960 0.001 0.000 0.307 410 G HA3 0.280 4.240 3.960 0.001 0.000 0.307 410 G C -0.268 174.652 174.900 0.033 0.000 1.307 410 G CA -0.230 44.896 45.100 0.044 0.000 0.790 410 G HN 0.446 nan 8.290 nan 0.000 0.503 411 E N -0.291 119.929 120.200 0.033 0.000 2.250 411 E HA 0.110 4.460 4.350 0.001 0.000 0.192 411 E C 0.615 177.218 176.600 0.005 0.000 0.986 411 E CA 0.691 57.104 56.400 0.021 0.000 0.849 411 E CB 0.866 30.581 29.700 0.025 0.000 0.797 411 E HN 0.573 nan 8.360 nan 0.000 0.482 412 E N -0.571 119.636 120.200 0.011 0.000 2.408 412 E HA 0.595 4.946 4.350 0.001 0.000 0.275 412 E C -1.802 174.742 176.600 -0.093 0.000 0.935 412 E CA -0.752 55.607 56.400 -0.068 0.000 0.775 412 E CB 2.205 31.860 29.700 -0.076 0.000 1.277 412 E HN -0.027 nan 8.360 nan 0.000 0.455 413 A N 2.569 125.237 122.820 -0.253 0.000 2.359 413 A HA 0.555 4.875 4.320 0.001 0.000 0.303 413 A C -1.712 175.686 177.584 -0.310 0.000 1.066 413 A CA -0.665 51.283 52.037 -0.149 0.000 0.730 413 A CB 0.640 19.611 19.000 -0.048 0.000 1.211 413 A HN 0.677 nan 8.150 nan 0.000 0.439 414 H N 2.680 121.754 119.070 0.006 0.000 2.317 414 H HA 0.347 4.904 4.556 0.001 0.000 0.231 414 H C -2.361 172.969 175.328 0.002 0.000 1.442 414 H CA -1.934 54.116 56.048 0.004 0.000 1.336 414 H CB -0.400 29.364 29.762 0.004 0.000 1.533 414 H HN 0.514 nan 8.280 nan 0.000 0.522 415 P HA 0.071 nan 4.420 nan 0.000 0.260 415 P C 0.264 177.592 177.300 0.047 0.000 1.172 415 P CA 0.084 63.214 63.100 0.050 0.000 0.760 415 P CB 0.745 32.458 31.700 0.021 0.000 0.773 416 A N 6.210 129.052 122.820 0.038 0.000 2.386 416 A HA 0.408 4.729 4.320 0.001 0.000 0.246 416 A C -1.888 175.707 177.584 0.018 0.000 1.089 416 A CA -1.127 50.926 52.037 0.027 0.000 0.790 416 A CB -1.265 17.746 19.000 0.019 0.000 1.042 416 A HN 0.432 nan 8.150 nan 0.000 0.497 417 P HA 0.080 nan 4.420 nan 0.000 0.266 417 P C 0.690 177.993 177.300 0.006 0.000 1.195 417 P CA -0.319 62.786 63.100 0.009 0.000 0.768 417 P CB 0.423 32.128 31.700 0.008 0.000 0.838 418 L N 4.421 125.646 121.223 0.003 0.000 2.044 418 L HA -0.022 4.318 4.340 0.001 0.000 0.205 418 L C 0.448 177.319 176.870 0.002 0.000 1.075 418 L CA 1.735 56.575 54.840 0.001 0.000 0.747 418 L CB -0.048 42.009 42.059 -0.004 0.000 0.903 418 L HN 0.101 nan 8.230 nan 0.000 0.435 419 V N 0.925 120.840 119.914 0.002 0.000 2.347 419 V HA 0.153 4.273 4.120 0.001 0.000 0.280 419 V C 1.054 177.150 176.094 0.004 0.000 1.021 419 V CA -0.295 62.007 62.300 0.003 0.000 0.847 419 V CB 1.412 33.236 31.823 0.002 0.000 0.990 419 V HN 0.231 nan 8.190 nan 0.000 0.444 420 L N 3.445 124.671 121.223 0.005 0.000 2.084 420 L HA 0.252 4.592 4.340 0.001 0.000 0.202 420 L C 0.939 177.811 176.870 0.004 0.000 1.074 420 L CA 0.982 55.825 54.840 0.005 0.000 0.757 420 L CB 0.071 42.133 42.059 0.005 0.000 0.918 420 L HN 0.875 nan 8.230 nan 0.000 0.444 421 E N -1.157 119.046 120.200 0.005 0.000 2.422 421 E HA 0.612 4.963 4.350 0.001 0.000 0.280 421 E C -1.643 174.961 176.600 0.006 0.000 1.091 421 E CA -0.928 55.475 56.400 0.004 0.000 0.849 421 E CB 1.651 31.352 29.700 0.003 0.000 1.353 421 E HN -0.064 nan 8.360 nan 0.000 0.449 422 A N 1.307 124.130 122.820 0.005 0.000 2.350 422 A HA 0.827 5.147 4.320 0.001 0.000 0.324 422 A C -0.705 176.882 177.584 0.006 0.000 1.118 422 A CA -0.662 51.379 52.037 0.007 0.000 0.783 422 A CB 0.646 19.651 19.000 0.007 0.000 1.236 422 A HN 0.553 nan 8.150 nan 0.000 0.457 423 I N 0.000 120.574 120.570 0.007 0.000 2.984 423 I HA 0.000 4.170 4.170 0.001 0.000 0.288 423 I CA 0.000 61.303 61.300 0.005 0.000 1.566 423 I CB 0.000 38.001 38.000 0.002 0.000 1.214 423 I HN 0.000 nan 8.210 nan 0.000 0.494