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 3h75_1_A DATA FIRST_RESID -1 DATA SEQUENCE LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXTSVVFLN PGNSTETFWV SYSQFXQAAA RDLGLDLRIL YAERDPQNTL DATA SEQUENCE QQARELFQGR DKPDYLXLVN EQYVAPQILR LSQGSGIKLF IVNSPLTLDQ DATA SEQUENCE RWIGSXVGDD EEAGYRXLKE LLHKLGPVPA GHGIELLAFS GLKVTPAAQL DATA SEQUENCE RERGLRRALA EHPQVHLRQL VYGEWNRERA YRQAQQLLKR YPKTQLVWSA DATA SEQUENCE NDEXALGAXQ AARELGRKPG TDLLFSGVNS SPEALQALID GKLSVLEAGH DATA SEQUENCE FTLGGWALVA LHDDALGLDA RRLGGPDWQL SLFQALTPAQ ARQLLRLGDQ DATA SEQUENCE VGTRVDFRGL SAQGKPDSYR YPFGLQLLLR 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 L HA 0.000 nan 4.340 nan 0.000 0.249 -1 L C 0.000 176.879 176.870 0.016 0.000 1.165 -1 L CA 0.000 54.844 54.840 0.007 0.000 0.813 -1 L CB 0.000 42.064 42.059 0.008 0.000 0.961 53 S N 1.444 117.204 115.700 0.100 0.000 2.501 53 S HA 0.928 5.398 4.470 0.001 0.000 0.301 53 S C -0.585 174.114 174.600 0.164 0.000 1.096 53 S CA -0.764 57.491 58.200 0.093 0.000 1.063 53 S CB 1.669 64.903 63.200 0.057 0.000 1.042 53 S HN 0.603 nan 8.310 nan 0.000 0.494 54 V N 2.333 122.320 119.914 0.122 0.000 2.760 54 V HA 0.564 4.685 4.120 0.001 0.000 0.309 54 V C -0.851 175.312 176.094 0.115 0.000 1.077 54 V CA -0.717 61.675 62.300 0.154 0.000 0.910 54 V CB 2.047 33.921 31.823 0.085 0.000 1.008 54 V HN 0.864 nan 8.190 nan 0.000 0.424 55 V N 4.764 124.763 119.914 0.140 0.000 2.448 55 V HA 0.517 4.637 4.120 0.001 0.000 0.295 55 V C -0.940 175.261 176.094 0.178 0.000 1.025 55 V CA -0.520 61.842 62.300 0.103 0.000 0.859 55 V CB 1.678 33.525 31.823 0.040 0.000 0.988 55 V HN 0.703 nan 8.190 nan 0.000 0.431 56 F N 6.185 126.121 119.950 -0.024 0.000 2.444 56 F HA 0.632 5.161 4.527 0.002 0.000 0.342 56 F C -0.487 175.249 175.800 -0.108 0.000 1.121 56 F CA -1.312 56.670 58.000 -0.029 0.000 0.997 56 F CB 1.351 40.345 39.000 -0.011 0.000 1.130 56 F HN 0.320 nan 8.300 nan 0.000 0.454 57 L N 6.573 127.381 121.223 -0.692 0.000 2.302 57 L HA 0.264 4.604 4.340 0.001 0.000 0.285 57 L C 0.151 176.212 176.870 -1.350 0.000 1.090 57 L CA -0.450 53.934 54.840 -0.760 0.000 0.866 57 L CB 0.012 41.837 42.059 -0.389 0.000 1.244 57 L HN 0.570 nan 8.230 nan 0.000 0.435 58 N N 5.864 123.719 118.700 -1.408 0.000 2.430 58 N HA 0.149 4.889 4.740 0.001 0.000 0.265 58 N C -1.593 173.372 175.510 -0.908 0.000 1.100 58 N CA -1.476 50.762 53.050 -1.353 0.000 0.961 58 N CB 1.790 39.599 38.487 -1.129 0.000 1.075 58 N HN 0.289 nan 8.380 nan 0.000 0.478 59 P HA 0.064 nan 4.420 nan 0.000 0.231 59 P C 0.704 177.703 177.300 -0.502 0.000 1.168 59 P CA 0.308 63.016 63.100 -0.654 0.000 0.779 59 P CB 0.323 31.688 31.700 -0.558 0.000 0.844 60 G N 0.468 108.833 108.800 -0.725 0.000 2.535 60 G HA2 0.187 4.147 3.960 0.001 0.000 0.282 60 G HA3 0.187 4.147 3.960 0.001 0.000 0.282 60 G C -0.064 174.897 174.900 0.102 0.000 1.350 60 G CA -0.444 44.555 45.100 -0.167 0.000 1.039 60 G HN 0.042 nan 8.290 nan 0.000 0.509 61 N N -0.496 118.276 118.700 0.120 0.000 2.515 61 N HA 0.149 4.889 4.740 0.001 0.000 0.279 61 N C 1.488 176.848 175.510 -0.251 0.000 1.164 61 N CA 0.090 53.132 53.050 -0.013 0.000 0.982 61 N CB 1.579 40.072 38.487 0.010 0.000 1.170 61 N HN 0.440 nan 8.380 nan 0.000 0.474 62 S N -1.541 113.814 115.700 -0.574 0.000 2.603 62 S HA -0.087 4.384 4.470 0.001 0.000 0.229 62 S C 1.175 175.510 174.600 -0.441 0.000 0.972 62 S CA 0.784 58.361 58.200 -1.039 0.000 0.935 62 S CB -0.515 62.187 63.200 -0.829 0.000 0.769 62 S HN 0.721 nan 8.310 nan 0.000 0.536 63 T N -1.856 112.568 114.554 -0.216 0.000 3.091 63 T HA 0.295 4.646 4.350 0.001 0.000 0.277 63 T C -0.024 174.664 174.700 -0.019 0.000 0.996 63 T CA -0.526 61.516 62.100 -0.096 0.000 0.897 63 T CB -0.165 68.662 68.868 -0.067 0.000 1.109 63 T HN 0.443 nan 8.240 nan 0.000 0.534 64 E N 1.815 122.031 120.200 0.027 0.000 2.129 64 E HA 0.200 4.551 4.350 0.001 0.000 0.283 64 E C 0.708 177.383 176.600 0.125 0.000 1.080 64 E CA -0.126 56.348 56.400 0.123 0.000 0.867 64 E CB 0.591 30.437 29.700 0.245 0.000 1.056 64 E HN 0.166 nan 8.360 nan 0.000 0.404 65 T N 5.120 119.720 114.554 0.075 0.000 2.592 65 T HA -0.286 4.065 4.350 0.001 0.000 0.267 65 T C 1.251 175.956 174.700 0.007 0.000 1.060 65 T CA 1.785 63.903 62.100 0.030 0.000 1.167 65 T CB -0.399 68.475 68.868 0.011 0.000 0.863 65 T HN 0.640 nan 8.240 nan 0.000 0.431 66 F N 0.081 119.969 119.950 -0.103 0.000 2.075 66 F HA -0.069 4.458 4.527 0.000 0.000 0.297 66 F C 2.019 177.689 175.800 -0.216 0.000 1.113 66 F CA 1.067 58.918 58.000 -0.249 0.000 1.218 66 F CB -0.627 38.115 39.000 -0.429 0.000 0.984 66 F HN 0.215 nan 8.300 nan 0.000 0.472 67 W N -0.332 120.916 121.300 -0.086 0.000 2.425 67 W HA -0.081 4.579 4.660 -0.000 0.000 0.277 67 W C 2.296 178.843 176.519 0.046 0.000 1.231 67 W CA 0.979 58.270 57.345 -0.089 0.000 1.248 67 W CB -0.407 29.143 29.460 0.150 0.000 1.117 67 W HN -0.182 nan 8.180 nan 0.000 0.568 68 V N -0.814 119.241 119.914 0.234 0.000 2.453 68 V HA -0.250 3.870 4.120 0.001 0.000 0.247 68 V C 2.091 178.234 176.094 0.082 0.000 1.048 68 V CA 2.024 64.446 62.300 0.202 0.000 1.049 68 V CB -0.865 31.011 31.823 0.089 0.000 0.672 68 V HN 0.031 nan 8.190 nan 0.000 0.457 69 S N -1.236 114.417 115.700 -0.077 0.000 2.382 69 S HA -0.209 4.262 4.470 0.001 0.000 0.228 69 S C 1.819 176.391 174.600 -0.048 0.000 1.027 69 S CA 1.605 59.717 58.200 -0.146 0.000 0.991 69 S CB -0.414 62.554 63.200 -0.386 0.000 0.823 69 S HN 0.685 nan 8.310 nan 0.000 0.469 70 Y N 2.233 122.335 120.300 -0.329 0.000 2.145 70 Y HA -0.183 4.368 4.550 0.001 0.000 0.286 70 Y C 2.638 178.514 175.900 -0.039 0.000 1.145 70 Y CA 1.630 59.562 58.100 -0.279 0.000 1.148 70 Y CB -0.361 37.816 38.460 -0.472 0.000 0.981 70 Y HN 0.174 nan 8.280 nan 0.000 0.507 71 S N -0.020 115.859 115.700 0.299 0.000 2.356 71 S HA -0.218 4.252 4.470 0.001 0.000 0.223 71 S C 1.810 176.464 174.600 0.090 0.000 1.032 71 S CA 1.334 59.669 58.200 0.225 0.000 1.005 71 S CB -0.297 63.072 63.200 0.282 0.000 0.867 71 S HN 0.496 nan 8.310 nan 0.000 0.449 72 Q N -0.033 119.822 119.800 0.093 0.000 2.124 72 Q HA 0.066 4.407 4.340 0.001 0.000 0.202 72 Q C 0.940 176.955 176.000 0.026 0.000 0.977 72 Q CA 0.639 56.473 55.803 0.052 0.000 0.850 72 Q CB -0.514 28.259 28.738 0.058 0.000 0.901 72 Q HN 0.497 nan 8.270 nan 0.000 0.429 76 A N 1.390 124.019 122.820 -0.318 0.000 1.902 76 A HA 0.045 4.365 4.320 0.001 0.000 0.217 76 A C 2.134 179.401 177.584 -0.529 0.000 1.181 76 A CA 1.976 53.838 52.037 -0.293 0.000 0.623 76 A CB -0.580 18.300 19.000 -0.201 0.000 0.818 76 A HN 0.386 nan 8.150 nan 0.000 0.443 77 A N -0.167 121.979 122.820 -1.124 0.000 1.898 77 A HA 0.196 4.517 4.320 0.001 0.000 0.216 77 A C 2.497 179.650 177.584 -0.719 0.000 1.181 77 A CA 1.971 53.023 52.037 -1.641 0.000 0.620 77 A CB -0.986 16.840 19.000 -1.957 0.000 0.819 77 A HN 1.031 nan 8.150 nan 0.000 0.442 78 A N -0.128 122.395 122.820 -0.494 0.000 1.902 78 A HA -0.174 4.146 4.320 0.001 0.000 0.217 78 A C 2.262 179.731 177.584 -0.192 0.000 1.181 78 A CA 1.549 53.417 52.037 -0.281 0.000 0.623 78 A CB -0.467 18.410 19.000 -0.205 0.000 0.818 78 A HN 0.549 nan 8.150 nan 0.000 0.443 79 R N -0.874 119.516 120.500 -0.183 0.000 2.081 79 R HA -0.142 4.199 4.340 0.001 0.000 0.235 79 R C 1.926 178.176 176.300 -0.084 0.000 1.131 79 R CA 1.594 57.630 56.100 -0.107 0.000 0.960 79 R CB -0.422 29.827 30.300 -0.086 0.000 0.856 79 R HN 0.599 nan 8.270 nan 0.000 0.436 80 D N 0.450 120.791 120.400 -0.097 0.000 2.183 80 D HA -0.070 4.571 4.640 0.001 0.000 0.203 80 D C 1.548 177.814 176.300 -0.057 0.000 0.969 80 D CA 0.814 54.795 54.000 -0.032 0.000 0.842 80 D CB 0.168 41.019 40.800 0.086 0.000 0.957 80 D HN 0.107 nan 8.370 nan 0.000 0.484 81 L N -1.022 120.128 121.223 -0.122 0.000 2.558 81 L HA 0.278 4.618 4.340 0.001 0.000 0.225 81 L C 1.360 178.234 176.870 0.007 0.000 1.128 81 L CA 0.326 55.089 54.840 -0.130 0.000 0.868 81 L CB -0.010 41.912 42.059 -0.228 0.000 1.006 81 L HN 0.193 nan 8.230 nan 0.000 0.454 82 G N 1.221 110.011 108.800 -0.017 0.000 2.246 82 G HA2 -0.263 3.697 3.960 0.001 0.000 0.273 82 G HA3 -0.263 3.697 3.960 0.001 0.000 0.273 82 G C -0.084 174.826 174.900 0.016 0.000 1.055 82 G CA -0.042 45.064 45.100 0.009 0.000 0.851 82 G HN 0.227 nan 8.290 nan 0.000 0.500 83 L N -0.284 120.931 121.223 -0.013 0.000 2.331 83 L HA 0.551 4.891 4.340 0.001 0.000 0.275 83 L C 0.031 176.887 176.870 -0.024 0.000 1.022 83 L CA -1.054 53.778 54.840 -0.013 0.000 0.812 83 L CB 1.583 43.617 42.059 -0.042 0.000 1.257 83 L HN 0.179 nan 8.230 nan 0.000 0.435 84 D N 2.940 123.337 120.400 -0.004 0.000 2.428 84 D HA 0.372 5.013 4.640 0.001 0.000 0.221 84 D C -1.076 175.225 176.300 0.002 0.000 1.123 84 D CA -0.256 53.743 54.000 -0.002 0.000 0.869 84 D CB 0.914 41.720 40.800 0.010 0.000 1.032 84 D HN 0.198 nan 8.370 nan 0.000 0.506 85 L N 3.938 125.153 121.223 -0.014 0.000 2.329 85 L HA 0.614 4.955 4.340 0.001 0.000 0.279 85 L C -0.947 175.927 176.870 0.006 0.000 1.014 85 L CA -0.402 54.434 54.840 -0.007 0.000 0.814 85 L CB 1.307 43.340 42.059 -0.043 0.000 1.257 85 L HN 0.327 nan 8.230 nan 0.000 0.424 86 R N 5.821 126.336 120.500 0.024 0.000 2.513 86 R HA 0.633 4.973 4.340 0.001 0.000 0.301 86 R C -1.321 174.992 176.300 0.021 0.000 0.968 86 R CA -0.630 55.480 56.100 0.017 0.000 0.872 86 R CB 1.915 32.220 30.300 0.008 0.000 1.177 86 R HN 0.618 nan 8.270 nan 0.000 0.444 87 I N 4.748 125.316 120.570 -0.003 0.000 2.362 87 I HA 0.329 4.500 4.170 0.001 0.000 0.289 87 I C -0.502 175.514 176.117 -0.168 0.000 0.994 87 I CA -0.682 60.574 61.300 -0.074 0.000 1.158 87 I CB 1.498 39.456 38.000 -0.069 0.000 1.315 87 I HN 0.350 nan 8.210 nan 0.000 0.451 88 L N 6.916 127.983 121.223 -0.262 0.000 2.280 88 L HA 0.439 4.779 4.340 0.001 0.000 0.287 88 L C -0.928 175.741 176.870 -0.334 0.000 1.023 88 L CA -0.747 53.967 54.840 -0.212 0.000 0.819 88 L CB 0.818 42.776 42.059 -0.168 0.000 1.212 88 L HN 0.424 nan 8.230 nan 0.000 0.420 89 Y N 1.090 121.298 120.300 -0.153 0.000 2.304 89 Y HA 0.224 4.775 4.550 0.002 0.000 0.328 89 Y C 1.070 176.868 175.900 -0.169 0.000 1.123 89 Y CA 0.044 58.036 58.100 -0.179 0.000 1.218 89 Y CB 1.770 40.166 38.460 -0.107 0.000 1.207 89 Y HN 0.688 nan 8.280 nan 0.000 0.495 90 A N 1.564 124.351 122.820 -0.055 0.000 2.132 90 A HA 0.037 4.357 4.320 0.001 0.000 0.213 90 A C 0.616 178.191 177.584 -0.015 0.000 1.154 90 A CA 0.352 52.348 52.037 -0.068 0.000 0.753 90 A CB -0.262 18.660 19.000 -0.130 0.000 0.826 90 A HN 0.812 nan 8.150 nan 0.000 0.469 91 E N -0.486 119.729 120.200 0.024 0.000 2.389 91 E HA -0.219 4.131 4.350 0.001 0.000 0.243 91 E C -0.369 176.242 176.600 0.017 0.000 1.154 91 E CA 0.765 57.174 56.400 0.015 0.000 0.723 91 E CB -1.554 28.147 29.700 0.002 0.000 1.261 91 E HN 0.595 nan 8.360 nan 0.000 0.390 92 R N -0.911 119.598 120.500 0.015 0.000 3.770 92 R HA -0.191 4.149 4.340 0.001 0.000 0.305 92 R C -0.243 176.078 176.300 0.035 0.000 1.184 92 R CA 1.379 57.504 56.100 0.040 0.000 0.823 92 R CB -1.739 28.615 30.300 0.090 0.000 1.285 92 R HN 0.422 nan 8.270 nan 0.000 0.499 93 D N -0.524 119.881 120.400 0.007 0.000 2.440 93 D HA 0.335 4.975 4.640 0.001 0.000 0.252 93 D C -1.793 174.502 176.300 -0.009 0.000 1.180 93 D CA -2.285 51.719 54.000 0.007 0.000 0.894 93 D CB 1.431 42.232 40.800 0.002 0.000 1.111 93 D HN -0.156 nan 8.370 nan 0.000 0.544 94 P HA -0.149 nan 4.420 nan 0.000 0.218 94 P C 1.294 178.589 177.300 -0.008 0.000 1.146 94 P CA 0.918 64.017 63.100 -0.002 0.000 0.813 94 P CB 0.414 32.135 31.700 0.035 0.000 0.778 95 Q N -0.997 118.800 119.800 -0.004 0.000 2.226 95 Q HA -0.113 4.227 4.340 0.001 0.000 0.204 95 Q C 1.640 177.629 176.000 -0.018 0.000 0.975 95 Q CA 1.077 56.877 55.803 -0.006 0.000 0.866 95 Q CB -0.873 27.861 28.738 -0.006 0.000 0.915 95 Q HN 0.396 nan 8.270 nan 0.000 0.440 96 N N -0.238 118.446 118.700 -0.028 0.000 2.270 96 N HA -0.069 4.671 4.740 0.001 0.000 0.181 96 N C 1.638 177.110 175.510 -0.063 0.000 1.016 96 N CA 1.199 54.225 53.050 -0.040 0.000 0.870 96 N CB -0.267 38.197 38.487 -0.039 0.000 0.979 96 N HN 0.189 nan 8.380 nan 0.000 0.431 97 T N 1.708 116.217 114.554 -0.076 0.000 2.746 97 T HA -0.082 4.268 4.350 0.001 0.000 0.267 97 T C 1.960 176.615 174.700 -0.074 0.000 1.039 97 T CA 0.549 62.586 62.100 -0.105 0.000 1.142 97 T CB -0.283 68.515 68.868 -0.117 0.000 0.866 97 T HN 0.081 nan 8.240 nan 0.000 0.444 98 L N 1.184 122.386 121.223 -0.034 0.000 2.046 98 L HA -0.048 4.293 4.340 0.001 0.000 0.208 98 L C 2.467 179.326 176.870 -0.018 0.000 1.077 98 L CA 1.828 56.665 54.840 -0.005 0.000 0.747 98 L CB -0.754 41.317 42.059 0.019 0.000 0.896 98 L HN 0.081 nan 8.230 nan 0.000 0.432 99 Q N -0.527 119.257 119.800 -0.027 0.000 2.119 99 Q HA -0.210 4.131 4.340 0.001 0.000 0.201 99 Q C 2.254 178.217 176.000 -0.062 0.000 0.972 99 Q CA 1.796 57.581 55.803 -0.030 0.000 0.847 99 Q CB -0.167 28.556 28.738 -0.025 0.000 0.903 99 Q HN 0.663 nan 8.270 nan 0.000 0.433 100 Q N -1.020 118.727 119.800 -0.087 0.000 2.084 100 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 100 Q C 1.964 177.847 176.000 -0.195 0.000 0.978 100 Q CA 1.441 57.171 55.803 -0.123 0.000 0.844 100 Q CB -0.220 28.439 28.738 -0.131 0.000 0.898 100 Q HN 0.469 nan 8.270 nan 0.000 0.426 101 A N 1.099 123.787 122.820 -0.221 0.000 1.872 101 A HA -0.186 4.134 4.320 0.001 0.000 0.214 101 A C 2.020 179.306 177.584 -0.496 0.000 1.187 101 A CA 1.355 53.128 52.037 -0.440 0.000 0.614 101 A CB -0.508 18.342 19.000 -0.249 0.000 0.826 101 A HN 0.233 nan 8.150 nan 0.000 0.442 102 R N 0.024 120.453 120.500 -0.119 0.000 2.096 102 R HA -0.203 4.137 4.340 0.001 0.000 0.240 102 R C 1.944 178.247 176.300 0.005 0.000 1.139 102 R CA 2.081 58.215 56.100 0.056 0.000 0.952 102 R CB -0.306 30.032 30.300 0.063 0.000 0.854 102 R HN 0.677 nan 8.270 nan 0.000 0.436 103 E N 0.132 120.294 120.200 -0.062 0.000 2.208 103 E HA -0.138 4.212 4.350 0.001 0.000 0.193 103 E C 2.062 178.615 176.600 -0.078 0.000 0.988 103 E CA 0.723 57.096 56.400 -0.045 0.000 0.828 103 E CB 0.031 29.705 29.700 -0.044 0.000 0.763 103 E HN 0.389 nan 8.360 nan 0.000 0.478 104 L N -0.038 121.063 121.223 -0.203 0.000 2.056 104 L HA -0.151 4.189 4.340 0.001 0.000 0.207 104 L C 1.995 178.795 176.870 -0.117 0.000 1.078 104 L CA 0.893 55.599 54.840 -0.223 0.000 0.749 104 L CB -0.176 41.650 42.059 -0.389 0.000 0.901 104 L HN 0.139 nan 8.230 nan 0.000 0.433 105 F N -0.034 119.925 119.950 0.014 0.000 2.234 105 F HA -0.175 4.352 4.527 0.000 0.000 0.299 105 F C 2.529 178.336 175.800 0.011 0.000 1.087 105 F CA 0.899 58.908 58.000 0.015 0.000 1.340 105 F CB -0.693 38.318 39.000 0.017 0.000 1.031 105 F HN 0.160 nan 8.300 nan 0.000 0.500 106 Q N -0.283 119.619 119.800 0.171 0.000 2.424 106 Q HA 0.163 4.503 4.340 0.001 0.000 0.204 106 Q C 1.435 177.472 176.000 0.062 0.000 0.933 106 Q CA 0.420 56.285 55.803 0.102 0.000 0.929 106 Q CB -0.011 28.772 28.738 0.075 0.000 1.037 106 Q HN 0.350 nan 8.270 nan 0.000 0.511 107 G N 0.447 109.275 108.800 0.047 0.000 2.535 107 G HA2 0.435 4.396 3.960 0.001 0.000 0.303 107 G HA3 0.435 4.396 3.960 0.001 0.000 0.303 107 G C -0.418 174.501 174.900 0.032 0.000 1.237 107 G CA -0.613 44.503 45.100 0.027 0.000 0.986 107 G HN 0.016 nan 8.290 nan 0.000 0.494 108 R N -0.853 119.660 120.500 0.021 0.000 2.541 108 R HA 0.297 4.638 4.340 0.001 0.000 0.254 108 R C -0.387 175.923 176.300 0.017 0.000 1.130 108 R CA -0.570 55.542 56.100 0.021 0.000 1.152 108 R CB 0.449 30.758 30.300 0.015 0.000 1.222 108 R HN 0.543 nan 8.270 nan 0.000 0.579 109 D N 1.274 121.684 120.400 0.016 0.000 2.735 109 D HA -0.159 4.482 4.640 0.001 0.000 0.235 109 D C -0.908 175.401 176.300 0.016 0.000 1.175 109 D CA 1.175 55.182 54.000 0.013 0.000 0.683 109 D CB -0.573 40.231 40.800 0.008 0.000 1.008 109 D HN 0.362 nan 8.370 nan 0.000 0.416 110 K N 1.010 121.426 120.400 0.025 0.000 2.295 110 K HA 0.284 4.605 4.320 0.001 0.000 0.270 110 K C -1.607 175.010 176.600 0.029 0.000 1.011 110 K CA -0.933 55.376 56.287 0.036 0.000 0.953 110 K CB 0.657 33.197 32.500 0.067 0.000 0.956 110 K HN 0.091 nan 8.250 nan 0.000 0.477 111 P HA 0.051 nan 4.420 nan 0.000 0.276 111 P C -0.418 176.894 177.300 0.021 0.000 1.252 111 P CA -0.293 62.833 63.100 0.043 0.000 0.802 111 P CB 0.725 32.465 31.700 0.067 0.000 1.035 112 D N -0.607 119.791 120.400 -0.004 0.000 2.149 112 D HA -0.060 4.580 4.640 0.001 0.000 0.201 112 D C 0.156 176.242 176.300 -0.356 0.000 0.972 112 D CA 1.849 55.736 54.000 -0.188 0.000 0.835 112 D CB -0.104 40.578 40.800 -0.197 0.000 0.966 112 D HN 0.431 nan 8.370 nan 0.000 0.476 113 Y N -0.485 119.874 120.300 0.099 0.000 2.499 113 Y HA 0.461 5.011 4.550 -0.000 0.000 0.347 113 Y C 0.170 176.168 175.900 0.163 0.000 0.987 113 Y CA -0.829 57.366 58.100 0.158 0.000 1.044 113 Y CB 2.390 40.931 38.460 0.134 0.000 1.245 113 Y HN -0.253 nan 8.280 nan 0.000 0.461 117 V N 1.521 121.526 119.914 0.153 0.000 2.607 117 V HA 0.334 4.455 4.120 0.001 0.000 0.289 117 V C 0.309 176.464 176.094 0.101 0.000 1.053 117 V CA -0.167 62.229 62.300 0.160 0.000 0.996 117 V CB 1.240 33.137 31.823 0.123 0.000 0.995 117 V HN 0.789 nan 8.190 nan 0.000 0.476 118 N N 3.450 122.214 118.700 0.107 0.000 2.530 118 N HA 0.279 5.019 4.740 0.001 0.000 0.273 118 N C -0.499 175.057 175.510 0.076 0.000 1.173 118 N CA 0.058 53.151 53.050 0.073 0.000 0.967 118 N CB 0.911 39.432 38.487 0.057 0.000 1.109 118 N HN 0.916 nan 8.380 nan 0.000 0.453 119 E N 0.517 120.745 120.200 0.046 0.000 2.412 119 E HA 0.082 4.433 4.350 0.001 0.000 0.279 119 E C -0.244 176.333 176.600 -0.038 0.000 0.984 119 E CA -0.343 56.078 56.400 0.034 0.000 0.788 119 E CB 0.827 30.569 29.700 0.070 0.000 1.277 119 E HN 0.633 nan 8.360 nan 0.000 0.455 120 Q N 0.928 120.636 119.800 -0.153 0.000 2.472 120 Q HA -0.028 4.313 4.340 0.001 0.000 0.208 120 Q C 0.350 176.072 176.000 -0.464 0.000 0.958 120 Q CA 1.035 56.628 55.803 -0.350 0.000 0.932 120 Q CB 0.131 28.547 28.738 -0.536 0.000 1.007 120 Q HN 0.535 nan 8.270 nan 0.000 0.508 121 Y N -0.747 119.568 120.300 0.026 0.000 2.673 121 Y HA 0.169 4.720 4.550 0.002 0.000 0.278 121 Y C 2.073 177.986 175.900 0.022 0.000 1.127 121 Y CA -0.116 57.996 58.100 0.021 0.000 1.261 121 Y CB 0.458 38.928 38.460 0.016 0.000 1.412 121 Y HN -0.092 nan 8.280 nan 0.000 0.496 122 V N -0.192 119.824 119.914 0.171 0.000 2.446 122 V HA -0.098 4.022 4.120 0.001 0.000 0.244 122 V C 2.445 178.586 176.094 0.079 0.000 1.039 122 V CA 1.458 63.822 62.300 0.107 0.000 1.045 122 V CB -1.098 30.771 31.823 0.077 0.000 0.681 122 V HN 0.360 nan 8.190 nan 0.000 0.459 123 A N 0.873 123.730 122.820 0.063 0.000 1.892 123 A HA -0.158 4.163 4.320 0.001 0.000 0.218 123 A C 0.502 178.119 177.584 0.054 0.000 1.188 123 A CA 2.274 54.344 52.037 0.055 0.000 0.631 123 A CB -1.915 17.108 19.000 0.038 0.000 0.822 123 A HN 0.518 nan 8.150 nan 0.000 0.447 124 P HA -0.170 nan 4.420 nan 0.000 0.215 124 P C 1.470 178.799 177.300 0.048 0.000 1.153 124 P CA 1.468 64.588 63.100 0.034 0.000 0.853 124 P CB -0.128 31.588 31.700 0.025 0.000 0.788 125 Q N -0.853 118.987 119.800 0.067 0.000 2.119 125 Q HA -0.103 4.238 4.340 0.001 0.000 0.201 125 Q C 2.183 178.239 176.000 0.093 0.000 0.972 125 Q CA 1.149 56.996 55.803 0.072 0.000 0.847 125 Q CB -0.584 28.202 28.738 0.079 0.000 0.903 125 Q HN 0.321 nan 8.270 nan 0.000 0.433 126 I N 0.652 121.294 120.570 0.120 0.000 2.315 126 I HA -0.261 3.910 4.170 0.001 0.000 0.248 126 I C 2.142 178.351 176.117 0.154 0.000 1.117 126 I CA 0.891 62.315 61.300 0.207 0.000 1.404 126 I CB -0.181 37.938 38.000 0.200 0.000 1.071 126 I HN 0.200 nan 8.210 nan 0.000 0.419 127 L N 0.217 121.489 121.223 0.081 0.000 2.046 127 L HA -0.193 4.148 4.340 0.001 0.000 0.208 127 L C 2.762 179.614 176.870 -0.031 0.000 1.077 127 L CA 1.452 56.308 54.840 0.027 0.000 0.747 127 L CB -0.536 41.534 42.059 0.019 0.000 0.896 127 L HN 0.170 nan 8.230 nan 0.000 0.432 128 R N -0.524 119.966 120.500 -0.016 0.000 2.092 128 R HA -0.116 4.224 4.340 0.001 0.000 0.231 128 R C 2.103 178.349 176.300 -0.089 0.000 1.119 128 R CA 0.935 57.012 56.100 -0.039 0.000 0.970 128 R CB -0.271 30.024 30.300 -0.008 0.000 0.864 128 R HN 0.194 nan 8.270 nan 0.000 0.440 129 L N 0.607 121.779 121.223 -0.085 0.000 2.217 129 L HA -0.082 4.259 4.340 0.001 0.000 0.211 129 L C 2.399 178.884 176.870 -0.642 0.000 1.107 129 L CA 1.571 56.314 54.840 -0.161 0.000 0.783 129 L CB -0.554 41.567 42.059 0.104 0.000 0.919 129 L HN 0.175 nan 8.230 nan 0.000 0.442 130 S N -1.643 113.572 115.700 -0.808 0.000 2.481 130 S HA -0.097 4.374 4.470 0.001 0.000 0.231 130 S C 0.940 175.227 174.600 -0.522 0.000 0.996 130 S CA -0.113 57.400 58.200 -1.146 0.000 0.942 130 S CB -0.621 62.273 63.200 -0.510 0.000 0.768 130 S HN 0.481 nan 8.310 nan 0.000 0.520 131 Q N 1.286 120.902 119.800 -0.306 0.000 2.264 131 Q HA 0.336 4.677 4.340 0.001 0.000 0.296 131 Q C 1.128 177.040 176.000 -0.146 0.000 1.103 131 Q CA 0.654 56.358 55.803 -0.165 0.000 0.967 131 Q CB -0.210 28.463 28.738 -0.108 0.000 1.090 131 Q HN 0.673 nan 8.270 nan 0.000 0.379 132 G N 1.835 110.578 108.800 -0.096 0.000 2.159 132 G HA2 -0.353 3.608 3.960 0.001 0.000 0.256 132 G HA3 -0.353 3.608 3.960 0.001 0.000 0.256 132 G C 0.823 175.688 174.900 -0.058 0.000 0.977 132 G CA 0.526 45.589 45.100 -0.061 0.000 0.652 132 G HN 0.725 nan 8.290 nan 0.000 0.531 133 S N -0.732 114.911 115.700 -0.095 0.000 2.470 133 S HA 0.383 4.853 4.470 0.001 0.000 0.225 133 S C 2.413 177.028 174.600 0.026 0.000 1.006 133 S CA 1.519 59.698 58.200 -0.035 0.000 0.934 133 S CB 0.100 63.248 63.200 -0.085 0.000 0.778 133 S HN 2.363 nan 8.310 nan 0.000 0.517 134 G N 1.049 109.856 108.800 0.012 0.000 2.179 134 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 134 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 134 G C 0.039 174.958 174.900 0.031 0.000 0.977 134 G CA 0.322 45.434 45.100 0.021 0.000 0.641 134 G HN 0.603 nan 8.290 nan 0.000 0.533 135 I N 1.057 121.672 120.570 0.074 0.000 2.365 135 I HA 0.300 4.471 4.170 0.001 0.000 0.291 135 I C 0.646 176.842 176.117 0.130 0.000 1.004 135 I CA -0.535 60.827 61.300 0.103 0.000 1.311 135 I CB 1.190 39.330 38.000 0.235 0.000 1.401 135 I HN -0.056 nan 8.210 nan 0.000 0.491 136 K N 6.627 127.082 120.400 0.092 0.000 2.249 136 K HA 0.522 4.842 4.320 0.001 0.000 0.280 136 K C -0.867 175.994 176.600 0.435 0.000 1.033 136 K CA -0.404 56.057 56.287 0.289 0.000 0.946 136 K CB 1.073 33.721 32.500 0.247 0.000 1.005 136 K HN 0.443 nan 8.250 nan 0.000 0.469 137 L N 3.016 124.496 121.223 0.427 0.000 2.331 137 L HA 0.520 4.861 4.340 0.001 0.000 0.275 137 L C -0.728 176.418 176.870 0.459 0.000 1.022 137 L CA -0.912 54.161 54.840 0.388 0.000 0.812 137 L CB 0.721 42.919 42.059 0.232 0.000 1.257 137 L HN 0.494 nan 8.230 nan 0.000 0.435 138 F N 3.623 123.727 119.950 0.256 0.000 2.579 138 F HA 0.500 5.027 4.527 -0.001 0.000 0.325 138 F C -0.603 175.303 175.800 0.178 0.000 1.162 138 F CA -0.745 57.383 58.000 0.212 0.000 0.946 138 F CB 1.210 40.382 39.000 0.287 0.000 1.211 138 F HN 0.090 nan 8.300 nan 0.000 0.447 139 I N 7.251 127.677 120.570 -0.239 0.000 2.331 139 I HA 0.436 4.607 4.170 0.001 0.000 0.292 139 I C -0.075 175.909 176.117 -0.222 0.000 0.998 139 I CA -0.647 60.575 61.300 -0.130 0.000 1.267 139 I CB 0.922 38.864 38.000 -0.096 0.000 1.386 139 I HN 0.381 nan 8.210 nan 0.000 0.476 140 V N 3.691 123.603 119.914 -0.004 0.000 3.113 140 V HA 0.700 4.821 4.120 0.001 0.000 0.316 140 V C 0.460 176.646 176.094 0.154 0.000 1.125 140 V CA -0.508 61.827 62.300 0.059 0.000 1.026 140 V CB 1.844 33.776 31.823 0.180 0.000 1.080 140 V HN 0.764 nan 8.190 nan 0.000 0.444 141 N N -0.320 118.491 118.700 0.185 0.000 2.649 141 N HA -0.183 4.557 4.740 0.001 0.000 0.214 141 N C 0.338 175.957 175.510 0.182 0.000 1.042 141 N CA 2.141 55.326 53.050 0.225 0.000 1.906 141 N CB -1.363 37.305 38.487 0.301 0.000 0.898 141 N HN 1.649 nan 8.380 nan 0.000 0.532 142 S N -1.182 114.601 115.700 0.140 0.000 2.564 142 S HA 0.791 5.261 4.470 0.001 0.000 0.274 142 S C -3.161 171.482 174.600 0.070 0.000 1.124 142 S CA -1.332 56.938 58.200 0.116 0.000 0.869 142 S CB 3.371 66.646 63.200 0.124 0.000 1.105 142 S HN -0.067 nan 8.310 nan 0.000 0.472 143 P HA 0.209 nan 4.420 nan 0.000 0.267 143 P C -0.717 176.590 177.300 0.011 0.000 1.200 143 P CA -0.281 62.838 63.100 0.032 0.000 0.772 143 P CB 0.261 31.983 31.700 0.037 0.000 0.855 144 L N 1.885 123.103 121.223 -0.009 0.000 2.397 144 L HA 0.232 4.572 4.340 0.001 0.000 0.271 144 L C 1.339 178.200 176.870 -0.015 0.000 1.148 144 L CA -0.135 54.693 54.840 -0.020 0.000 0.825 144 L CB 0.391 42.426 42.059 -0.039 0.000 1.117 144 L HN 0.466 nan 8.230 nan 0.000 0.456 145 T N -0.544 114.000 114.554 -0.017 0.000 2.847 145 T HA 0.304 4.655 4.350 0.001 0.000 0.279 145 T C 1.330 176.019 174.700 -0.018 0.000 0.984 145 T CA -0.812 61.278 62.100 -0.017 0.000 0.988 145 T CB 0.898 69.751 68.868 -0.024 0.000 1.040 145 T HN 0.458 nan 8.240 nan 0.000 0.528 146 L N 0.061 121.275 121.223 -0.015 0.000 2.079 146 L HA -0.109 4.232 4.340 0.001 0.000 0.210 146 L C 2.762 179.623 176.870 -0.015 0.000 1.081 146 L CA 1.536 56.368 54.840 -0.014 0.000 0.752 146 L CB -0.588 41.465 42.059 -0.011 0.000 0.896 146 L HN 0.781 nan 8.230 nan 0.000 0.433 147 D N -0.222 120.168 120.400 -0.016 0.000 2.097 147 D HA -0.193 4.448 4.640 0.001 0.000 0.195 147 D C 2.241 178.532 176.300 -0.015 0.000 0.989 147 D CA 1.294 55.285 54.000 -0.014 0.000 0.827 147 D CB 0.039 40.830 40.800 -0.016 0.000 0.966 147 D HN 0.470 nan 8.370 nan 0.000 0.456 148 Q N -0.024 119.765 119.800 -0.018 0.000 2.170 148 Q HA -0.056 4.285 4.340 0.001 0.000 0.203 148 Q C 0.381 176.367 176.000 -0.023 0.000 0.976 148 Q CA 0.668 56.460 55.803 -0.019 0.000 0.858 148 Q CB 0.182 28.907 28.738 -0.021 0.000 0.907 148 Q HN 0.031 nan 8.270 nan 0.000 0.433 149 R N 0.658 121.143 120.500 -0.024 0.000 2.216 149 R HA 0.067 4.408 4.340 0.001 0.000 0.332 149 R C -0.878 175.410 176.300 -0.019 0.000 1.056 149 R CA -0.264 55.820 56.100 -0.026 0.000 0.901 149 R CB -0.101 30.183 30.300 -0.027 0.000 1.039 149 R HN 0.157 nan 8.270 nan 0.000 0.456 150 W N 5.306 126.648 121.300 0.070 0.000 2.210 150 W HA 0.221 4.880 4.660 -0.002 0.000 0.330 150 W C -0.501 176.118 176.519 0.165 0.000 1.334 150 W CA 0.158 57.573 57.345 0.117 0.000 1.227 150 W CB 0.420 29.965 29.460 0.141 0.000 1.178 150 W HN 0.496 nan 8.180 nan 0.000 0.560 151 I N 7.080 127.278 120.570 -0.620 0.000 2.512 151 I HA 0.479 4.649 4.170 0.001 0.000 0.287 151 I C 0.495 176.051 176.117 -0.935 0.000 1.069 151 I CA -0.765 60.197 61.300 -0.564 0.000 1.056 151 I CB 1.396 39.262 38.000 -0.224 0.000 1.229 151 I HN 0.587 nan 8.210 nan 0.000 0.429 152 G N 3.221 111.521 108.800 -0.834 0.000 2.788 152 G HA2 0.861 4.822 3.960 0.001 0.000 0.293 152 G HA3 0.861 4.822 3.960 0.001 0.000 0.293 152 G C -0.965 173.715 174.900 -0.367 0.000 1.305 152 G CA -0.439 44.420 45.100 -0.400 0.000 1.005 152 G HN 0.646 nan 8.290 nan 0.000 0.496 156 G N 0.448 109.337 108.800 0.148 0.000 2.782 156 G HA2 0.674 4.635 3.960 0.001 0.000 0.201 156 G HA3 0.674 4.635 3.960 0.001 0.000 0.201 156 G C -0.679 174.319 174.900 0.164 0.000 1.374 156 G CA 0.337 45.508 45.100 0.117 0.000 1.039 156 G HN 1.431 nan 8.290 nan 0.000 0.576 157 D N -0.752 119.781 120.400 0.222 0.000 2.749 157 D HA 0.187 4.828 4.640 0.001 0.000 0.338 157 D C -0.119 176.418 176.300 0.395 0.000 1.236 157 D CA -0.454 53.712 54.000 0.278 0.000 0.845 157 D CB 0.693 41.635 40.800 0.237 0.000 1.080 157 D HN 0.141 nan 8.370 nan 0.000 0.497 158 D N 0.958 121.568 120.400 0.349 0.000 2.123 158 D HA -0.209 4.432 4.640 0.001 0.000 0.196 158 D C 1.480 177.855 176.300 0.124 0.000 0.992 158 D CA 1.022 55.170 54.000 0.248 0.000 0.833 158 D CB 0.412 41.347 40.800 0.225 0.000 0.954 158 D HN 0.570 nan 8.370 nan 0.000 0.455 159 E N 0.542 120.830 120.200 0.146 0.000 2.077 159 E HA -0.233 4.117 4.350 0.001 0.000 0.193 159 E C 1.888 178.572 176.600 0.139 0.000 0.989 159 E CA 1.135 57.612 56.400 0.129 0.000 0.800 159 E CB 0.121 29.876 29.700 0.093 0.000 0.746 159 E HN 0.035 nan 8.360 nan 0.000 0.452 160 E N 0.449 120.731 120.200 0.136 0.000 2.085 160 E HA -0.178 4.173 4.350 0.001 0.000 0.194 160 E C 1.712 178.398 176.600 0.143 0.000 0.994 160 E CA 1.529 58.029 56.400 0.165 0.000 0.801 160 E CB -0.330 29.469 29.700 0.165 0.000 0.743 160 E HN 0.333 nan 8.360 nan 0.000 0.453 161 A N 0.176 122.988 122.820 -0.013 0.000 1.902 161 A HA -0.059 4.262 4.320 0.001 0.000 0.217 161 A C 2.490 180.025 177.584 -0.081 0.000 1.181 161 A CA 1.836 53.714 52.037 -0.265 0.000 0.623 161 A CB -1.368 17.019 19.000 -1.021 0.000 0.818 161 A HN 0.428 nan 8.150 nan 0.000 0.443 162 G N -1.888 106.962 108.800 0.084 0.000 2.402 162 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 162 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 162 G C 1.554 176.724 174.900 0.450 0.000 1.162 162 G CA 1.260 46.599 45.100 0.397 0.000 0.777 162 G HN 0.574 nan 8.290 nan 0.000 0.539 163 Y N 1.602 122.001 120.300 0.165 0.000 2.133 163 Y HA 0.118 4.668 4.550 0.001 0.000 0.287 163 Y C 1.914 177.882 175.900 0.113 0.000 1.134 163 Y CA 0.601 58.772 58.100 0.117 0.000 1.133 163 Y CB -0.108 38.398 38.460 0.077 0.000 0.987 163 Y HN -0.065 nan 8.280 nan 0.000 0.502 167 K N 0.387 120.661 120.400 -0.209 0.000 2.063 167 K HA -0.109 4.211 4.320 0.001 0.000 0.208 167 K C 1.503 178.035 176.600 -0.113 0.000 1.048 167 K CA 1.700 57.843 56.287 -0.241 0.000 0.928 167 K CB -0.002 32.299 32.500 -0.332 0.000 0.713 167 K HN 0.331 nan 8.250 nan 0.000 0.442 168 E N 0.975 121.137 120.200 -0.064 0.000 2.072 168 E HA -0.133 4.217 4.350 0.001 0.000 0.191 168 E C 2.162 178.779 176.600 0.028 0.000 0.985 168 E CA 0.874 57.275 56.400 0.002 0.000 0.801 168 E CB -0.148 29.552 29.700 0.001 0.000 0.750 168 E HN 0.292 nan 8.360 nan 0.000 0.452 169 L N 0.488 121.711 121.223 0.001 0.000 2.046 169 L HA -0.185 4.155 4.340 0.001 0.000 0.208 169 L C 2.642 179.489 176.870 -0.038 0.000 1.077 169 L CA 0.852 55.689 54.840 -0.006 0.000 0.747 169 L CB -0.417 41.645 42.059 0.004 0.000 0.896 169 L HN 0.117 nan 8.230 nan 0.000 0.432 170 L N -1.113 120.063 121.223 -0.079 0.000 2.083 170 L HA -0.268 4.073 4.340 0.001 0.000 0.209 170 L C 2.659 179.489 176.870 -0.067 0.000 1.083 170 L CA 1.173 55.939 54.840 -0.123 0.000 0.752 170 L CB -0.583 41.318 42.059 -0.262 0.000 0.899 170 L HN 0.326 nan 8.230 nan 0.000 0.433 171 H N 0.544 119.551 119.070 -0.105 0.000 2.321 171 H HA -0.151 4.406 4.556 0.001 0.000 0.300 171 H C 2.185 177.484 175.328 -0.047 0.000 1.087 171 H CA 1.734 57.741 56.048 -0.067 0.000 1.319 171 H CB 0.180 29.911 29.762 -0.052 0.000 1.379 171 H HN 0.120 nan 8.280 nan 0.000 0.501 172 K N -0.443 119.918 120.400 -0.065 0.000 2.148 172 K HA -0.076 4.244 4.320 0.001 0.000 0.204 172 K C 2.083 178.618 176.600 -0.108 0.000 1.050 172 K CA 0.985 57.215 56.287 -0.096 0.000 0.942 172 K CB -0.088 32.408 32.500 -0.007 0.000 0.724 172 K HN 0.188 nan 8.250 nan 0.000 0.446 173 L N 0.598 121.766 121.223 -0.092 0.000 2.083 173 L HA -0.046 4.294 4.340 0.001 0.000 0.209 173 L C 0.869 177.676 176.870 -0.105 0.000 1.083 173 L CA 1.949 56.738 54.840 -0.085 0.000 0.752 173 L CB -0.710 41.300 42.059 -0.082 0.000 0.899 173 L HN 0.379 nan 8.230 nan 0.000 0.433 174 G N -1.511 107.206 108.800 -0.139 0.000 2.750 174 G HA2 -0.248 3.712 3.960 0.001 0.000 0.228 174 G HA3 -0.248 3.712 3.960 0.001 0.000 0.228 174 G C -2.173 172.666 174.900 -0.101 0.000 1.367 174 G CA -0.422 44.594 45.100 -0.140 0.000 0.871 174 G HN 0.378 nan 8.290 nan 0.000 0.560 175 P HA 0.393 nan 4.420 nan 0.000 0.270 175 P C 0.711 177.956 177.300 -0.093 0.000 1.221 175 P CA 1.051 64.104 63.100 -0.078 0.000 0.788 175 P CB 1.159 32.818 31.700 -0.068 0.000 0.904 176 V N -0.253 119.594 119.914 -0.112 0.000 4.842 176 V HA 0.010 4.131 4.120 0.001 0.000 0.545 176 V C -2.207 173.750 176.094 -0.230 0.000 2.089 176 V CA 0.078 62.278 62.300 -0.167 0.000 2.520 176 V CB -1.325 30.421 31.823 -0.130 0.000 1.014 176 V HN 0.465 nan 8.190 nan 0.000 0.396 177 P HA 0.354 nan 4.420 nan 0.000 0.277 177 P C 0.152 177.410 177.300 -0.070 0.000 1.309 177 P CA 1.914 64.969 63.100 -0.075 0.000 0.908 177 P CB 0.001 31.681 31.700 -0.033 0.000 1.178 178 A N -1.433 121.409 122.820 0.036 0.000 2.773 178 A HA 0.284 4.605 4.320 0.001 0.000 0.277 178 A C 1.092 178.827 177.584 0.250 0.000 1.374 178 A CA 1.029 53.119 52.037 0.089 0.000 0.725 178 A CB -2.148 16.874 19.000 0.037 0.000 1.108 178 A HN 1.226 nan 8.150 nan 0.000 0.392 179 G N -0.154 108.759 108.800 0.188 0.000 2.253 179 G HA2 -0.167 3.793 3.960 0.001 0.000 0.251 179 G HA3 -0.167 3.793 3.960 0.001 0.000 0.251 179 G C -0.015 174.950 174.900 0.108 0.000 0.998 179 G CA 1.092 46.275 45.100 0.139 0.000 0.621 179 G HN 2.149 nan 8.290 nan 0.000 0.524 180 H N 0.829 119.898 119.070 -0.002 0.000 2.473 180 H HA 0.610 5.167 4.556 0.001 0.000 0.327 180 H C 0.908 176.203 175.328 -0.056 0.000 1.105 180 H CA 0.111 56.151 56.048 -0.013 0.000 1.280 180 H CB 1.337 31.086 29.762 -0.022 0.000 1.450 180 H HN 0.483 nan 8.280 nan 0.000 0.492 181 G N 1.322 110.138 108.800 0.027 0.000 2.502 181 G HA2 0.494 4.455 3.960 0.001 0.000 0.305 181 G HA3 0.494 4.455 3.960 0.001 0.000 0.305 181 G C -0.485 174.290 174.900 -0.209 0.000 1.190 181 G CA -0.714 44.233 45.100 -0.256 0.000 0.933 181 G HN 0.624 nan 8.290 nan 0.000 0.503 182 I N 1.067 121.436 120.570 -0.336 0.000 2.405 182 I HA 0.179 4.350 4.170 0.001 0.000 0.280 182 I C -0.093 175.917 176.117 -0.179 0.000 1.027 182 I CA -0.275 60.914 61.300 -0.187 0.000 1.161 182 I CB 1.338 39.241 38.000 -0.161 0.000 1.300 182 I HN 0.434 nan 8.210 nan 0.000 0.463 183 E N 5.871 126.012 120.200 -0.098 0.000 2.338 183 E HA 0.368 4.719 4.350 0.001 0.000 0.272 183 E C -0.892 175.655 176.600 -0.088 0.000 1.029 183 E CA -0.462 55.897 56.400 -0.068 0.000 0.872 183 E CB 2.128 31.816 29.700 -0.021 0.000 1.015 183 E HN 0.290 nan 8.360 nan 0.000 0.417 184 L N 3.779 124.936 121.223 -0.111 0.000 2.381 184 L HA 0.482 4.823 4.340 0.001 0.000 0.268 184 L C -1.718 175.061 176.870 -0.152 0.000 0.997 184 L CA -0.516 54.255 54.840 -0.115 0.000 0.818 184 L CB 1.379 43.370 42.059 -0.113 0.000 1.310 184 L HN 0.472 nan 8.230 nan 0.000 0.416 185 L N 4.210 125.371 121.223 -0.103 0.000 2.346 185 L HA 0.926 5.266 4.340 0.001 0.000 0.274 185 L C -0.542 176.282 176.870 -0.076 0.000 1.007 185 L CA -0.774 53.982 54.840 -0.140 0.000 0.818 185 L CB 1.954 43.991 42.059 -0.036 0.000 1.284 185 L HN 0.827 nan 8.230 nan 0.000 0.424 186 A N 2.662 125.348 122.820 -0.223 0.000 2.356 186 A HA 0.809 5.130 4.320 0.001 0.000 0.310 186 A C -1.420 176.019 177.584 -0.242 0.000 1.075 186 A CA -0.309 51.711 52.037 -0.028 0.000 0.746 186 A CB 0.844 19.753 19.000 -0.152 0.000 1.221 186 A HN 0.501 nan 8.150 nan 0.000 0.443 187 F N 1.765 121.846 119.950 0.219 0.000 2.403 187 F HA 0.541 5.068 4.527 0.001 0.000 0.355 187 F C 0.849 176.726 175.800 0.128 0.000 1.119 187 F CA -0.050 58.008 58.000 0.097 0.000 1.007 187 F CB 2.208 41.267 39.000 0.098 0.000 1.194 187 F HN 0.550 nan 8.300 nan 0.000 0.443 188 S N 1.685 117.433 115.700 0.080 0.000 2.758 188 S HA 0.814 5.284 4.470 0.001 0.000 0.292 188 S C 0.621 175.143 174.600 -0.130 0.000 1.131 188 S CA -0.151 58.090 58.200 0.068 0.000 0.997 188 S CB 1.156 64.331 63.200 -0.041 0.000 1.111 188 S HN 0.736 nan 8.310 nan 0.000 0.552 189 G N 0.423 108.903 108.800 -0.535 0.000 2.928 189 G HA2 0.378 4.338 3.960 0.001 0.000 0.163 189 G HA3 0.378 4.338 3.960 0.001 0.000 0.163 189 G C -0.670 173.746 174.900 -0.807 0.000 1.573 189 G CA -0.677 43.516 45.100 -1.512 0.000 1.084 189 G HN 0.670 nan 8.290 nan 0.000 0.569 190 L N 1.286 121.910 121.223 -0.997 0.000 2.369 190 L HA 0.162 4.503 4.340 0.001 0.000 0.279 190 L C 1.930 178.689 176.870 -0.185 0.000 1.108 190 L CA -0.237 54.408 54.840 -0.324 0.000 0.852 190 L CB 1.294 43.315 42.059 -0.065 0.000 1.169 190 L HN 0.646 nan 8.230 nan 0.000 0.452 191 K N 2.653 122.865 120.400 -0.313 0.000 2.089 191 K HA -0.196 4.125 4.320 0.001 0.000 0.210 191 K C 1.570 178.067 176.600 -0.173 0.000 1.048 191 K CA 2.040 58.031 56.287 -0.493 0.000 0.926 191 K CB 0.056 31.918 32.500 -1.064 0.000 0.714 191 K HN 0.680 nan 8.250 nan 0.000 0.448 192 V N -0.465 119.402 119.914 -0.079 0.000 3.510 192 V HA -0.007 4.114 4.120 0.001 0.000 0.270 192 V C 0.796 176.939 176.094 0.081 0.000 1.201 192 V CA 0.757 63.078 62.300 0.034 0.000 1.166 192 V CB -1.149 30.754 31.823 0.133 0.000 0.825 192 V HN 0.354 nan 8.190 nan 0.000 0.484 193 T N -2.061 112.565 114.554 0.121 0.000 2.909 193 T HA 0.458 4.808 4.350 0.001 0.000 0.286 193 T C -1.077 173.744 174.700 0.202 0.000 1.002 193 T CA -1.430 60.792 62.100 0.202 0.000 1.074 193 T CB 1.493 70.578 68.868 0.361 0.000 0.984 193 T HN 0.209 nan 8.240 nan 0.000 0.495 194 P HA -0.070 nan 4.420 nan 0.000 0.218 194 P C 1.585 179.022 177.300 0.229 0.000 1.149 194 P CA 1.170 64.371 63.100 0.170 0.000 0.817 194 P CB -0.232 31.551 31.700 0.138 0.000 0.785 195 A N 0.762 123.765 122.820 0.306 0.000 1.902 195 A HA -0.089 4.232 4.320 0.001 0.000 0.217 195 A C 2.511 180.346 177.584 0.418 0.000 1.181 195 A CA 2.323 54.568 52.037 0.347 0.000 0.623 195 A CB -1.517 17.701 19.000 0.362 0.000 0.818 195 A HN 0.242 nan 8.150 nan 0.000 0.443 196 A N -0.717 122.384 122.820 0.468 0.000 1.873 196 A HA -0.170 4.150 4.320 0.001 0.000 0.215 196 A C 2.132 179.882 177.584 0.277 0.000 1.186 196 A CA 1.558 53.801 52.037 0.344 0.000 0.616 196 A CB -0.618 18.473 19.000 0.151 0.000 0.823 196 A HN 0.642 nan 8.150 nan 0.000 0.442 197 Q N -0.296 119.634 119.800 0.217 0.000 2.061 197 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 197 Q C 2.113 178.210 176.000 0.160 0.000 0.984 197 Q CA 1.581 57.482 55.803 0.164 0.000 0.846 197 Q CB -0.387 28.421 28.738 0.116 0.000 0.902 197 Q HN 0.657 nan 8.270 nan 0.000 0.421 198 L N 0.115 121.442 121.223 0.173 0.000 2.056 198 L HA -0.173 4.168 4.340 0.001 0.000 0.207 198 L C 2.523 179.505 176.870 0.186 0.000 1.078 198 L CA 1.189 56.124 54.840 0.158 0.000 0.749 198 L CB -0.307 41.847 42.059 0.158 0.000 0.901 198 L HN 0.159 nan 8.230 nan 0.000 0.433 199 R N -0.235 120.412 120.500 0.245 0.000 2.092 199 R HA -0.188 4.153 4.340 0.001 0.000 0.231 199 R C 2.201 178.750 176.300 0.414 0.000 1.119 199 R CA 1.327 57.625 56.100 0.329 0.000 0.970 199 R CB -0.227 30.270 30.300 0.329 0.000 0.864 199 R HN 0.390 nan 8.270 nan 0.000 0.440 200 E N 0.726 121.107 120.200 0.301 0.000 2.106 200 E HA -0.232 4.119 4.350 0.001 0.000 0.192 200 E C 2.021 178.626 176.600 0.009 0.000 0.984 200 E CA 0.903 57.346 56.400 0.072 0.000 0.806 200 E CB 0.122 29.866 29.700 0.072 0.000 0.750 200 E HN -0.005 nan 8.360 nan 0.000 0.458 201 R N 0.359 120.903 120.500 0.073 0.000 2.091 201 R HA -0.084 4.256 4.340 0.001 0.000 0.238 201 R C 2.159 178.492 176.300 0.056 0.000 1.136 201 R CA 2.023 58.151 56.100 0.046 0.000 0.959 201 R CB -1.181 29.154 30.300 0.057 0.000 0.856 201 R HN 0.239 nan 8.270 nan 0.000 0.437 202 G N 0.720 109.590 108.800 0.117 0.000 2.418 202 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 202 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 202 G C 1.335 176.351 174.900 0.194 0.000 1.158 202 G CA 0.840 46.053 45.100 0.189 0.000 0.771 202 G HN 0.380 nan 8.290 nan 0.000 0.545 203 L N 0.672 121.916 121.223 0.035 0.000 2.012 203 L HA 0.001 4.342 4.340 0.001 0.000 0.210 203 L C 2.770 179.542 176.870 -0.164 0.000 1.073 203 L CA 1.701 56.392 54.840 -0.249 0.000 0.748 203 L CB -0.396 41.109 42.059 -0.922 0.000 0.891 203 L HN 0.008 nan 8.230 nan 0.000 0.431 204 R N -0.039 120.387 120.500 -0.124 0.000 2.096 204 R HA -0.119 4.222 4.340 0.001 0.000 0.235 204 R C 2.359 178.661 176.300 0.003 0.000 1.127 204 R CA 1.541 57.596 56.100 -0.076 0.000 0.968 204 R CB -0.723 29.542 30.300 -0.059 0.000 0.861 204 R HN 0.489 nan 8.270 nan 0.000 0.440 205 R N 0.178 120.716 120.500 0.063 0.000 2.075 205 R HA -0.025 4.316 4.340 0.001 0.000 0.232 205 R C 2.291 178.730 176.300 0.232 0.000 1.126 205 R CA 1.396 57.562 56.100 0.110 0.000 0.963 205 R CB -0.329 30.004 30.300 0.055 0.000 0.858 205 R HN 0.198 nan 8.270 nan 0.000 0.435 206 A N 1.002 124.011 122.820 0.315 0.000 1.930 206 A HA -0.099 4.221 4.320 0.001 0.000 0.217 206 A C 2.128 179.815 177.584 0.172 0.000 1.175 206 A CA 1.030 53.213 52.037 0.243 0.000 0.627 206 A CB -0.443 18.559 19.000 0.004 0.000 0.815 206 A HN 0.177 nan 8.150 nan 0.000 0.443 207 L N -0.805 120.453 121.223 0.058 0.000 2.131 207 L HA -0.177 4.164 4.340 0.001 0.000 0.210 207 L C 2.997 179.893 176.870 0.044 0.000 1.092 207 L CA 0.947 55.805 54.840 0.029 0.000 0.759 207 L CB -0.448 41.580 42.059 -0.050 0.000 0.903 207 L HN 0.438 nan 8.230 nan 0.000 0.435 208 A N -0.238 122.603 122.820 0.035 0.000 2.015 208 A HA -0.167 4.154 4.320 0.001 0.000 0.219 208 A C 2.040 179.616 177.584 -0.012 0.000 1.163 208 A CA 1.287 53.331 52.037 0.012 0.000 0.646 208 A CB -0.279 18.726 19.000 0.009 0.000 0.806 208 A HN 0.477 nan 8.150 nan 0.000 0.448 209 E N -0.958 119.232 120.200 -0.017 0.000 2.442 209 E HA 0.009 4.360 4.350 0.001 0.000 0.195 209 E C -0.351 175.959 176.600 -0.483 0.000 1.030 209 E CA 0.246 56.532 56.400 -0.190 0.000 0.869 209 E CB 0.109 29.720 29.700 -0.148 0.000 0.857 209 E HN 0.654 nan 8.360 nan 0.000 0.505 210 H N 0.425 119.498 119.070 0.005 0.000 2.448 210 H HA 0.121 4.677 4.556 0.001 0.000 0.237 210 H C -1.910 173.414 175.328 -0.006 0.000 1.391 210 H CA -1.627 54.415 56.048 -0.010 0.000 1.477 210 H CB 0.967 30.711 29.762 -0.031 0.000 1.520 210 H HN 0.080 nan 8.280 nan 0.000 0.502 211 P HA -0.191 nan 4.420 nan 0.000 0.223 211 P C 1.457 178.827 177.300 0.117 0.000 1.144 211 P CA 0.964 64.112 63.100 0.081 0.000 0.783 211 P CB 0.526 32.256 31.700 0.050 0.000 0.771 212 Q N 0.254 120.086 119.800 0.053 0.000 2.297 212 Q HA -0.008 4.332 4.340 0.001 0.000 0.204 212 Q C 0.271 176.092 176.000 -0.298 0.000 0.962 212 Q CA 0.484 56.247 55.803 -0.067 0.000 0.879 212 Q CB 0.009 28.724 28.738 -0.038 0.000 0.947 212 Q HN 0.041 nan 8.270 nan 0.000 0.462 213 V N 2.078 121.921 119.914 -0.117 0.000 2.488 213 V HA 0.079 4.200 4.120 0.001 0.000 0.277 213 V C -0.658 175.424 176.094 -0.020 0.000 1.046 213 V CA 0.026 62.239 62.300 -0.145 0.000 0.986 213 V CB 0.792 32.575 31.823 -0.066 0.000 0.989 213 V HN 0.277 nan 8.190 nan 0.000 0.475 214 H N 4.671 123.701 119.070 -0.068 0.000 2.673 214 H HA 0.342 4.898 4.556 0.001 0.000 0.293 214 H C -0.340 174.902 175.328 -0.142 0.000 1.065 214 H CA -1.026 54.967 56.048 -0.091 0.000 1.236 214 H CB 1.426 31.142 29.762 -0.077 0.000 1.389 214 H HN 0.522 nan 8.280 nan 0.000 0.481 215 L N 4.044 125.242 121.223 -0.042 0.000 2.485 215 L HA 0.069 4.409 4.340 0.001 0.000 0.279 215 L C 1.034 177.780 176.870 -0.206 0.000 1.124 215 L CA -0.024 54.727 54.840 -0.149 0.000 0.888 215 L CB 0.288 42.245 42.059 -0.170 0.000 1.217 215 L HN 0.534 nan 8.230 nan 0.000 0.464 216 R N 2.616 122.924 120.500 -0.320 0.000 2.119 216 R HA 0.098 4.439 4.340 0.001 0.000 0.222 216 R C 0.137 176.143 176.300 -0.491 0.000 1.088 216 R CA 0.532 56.310 56.100 -0.536 0.000 0.984 216 R CB -0.411 29.236 30.300 -1.088 0.000 0.884 216 R HN 0.784 nan 8.270 nan 0.000 0.447 217 Q N -0.821 118.740 119.800 -0.399 0.000 2.503 217 Q HA 0.401 4.741 4.340 0.001 0.000 0.268 217 Q C -2.125 173.685 176.000 -0.316 0.000 0.982 217 Q CA -0.298 55.331 55.803 -0.289 0.000 0.907 217 Q CB 1.698 30.311 28.738 -0.209 0.000 1.467 217 Q HN 0.123 nan 8.270 nan 0.000 0.394 218 L N 4.763 125.805 121.223 -0.302 0.000 2.349 218 L HA 0.893 5.234 4.340 0.001 0.000 0.278 218 L C -1.142 175.469 176.870 -0.432 0.000 0.996 218 L CA -0.791 53.819 54.840 -0.384 0.000 0.825 218 L CB 1.437 43.281 42.059 -0.358 0.000 1.243 218 L HN 0.622 nan 8.230 nan 0.000 0.412 219 V N 1.276 120.880 119.914 -0.517 0.000 3.019 219 V HA 0.545 4.665 4.120 0.001 0.000 0.317 219 V C -1.225 174.578 176.094 -0.484 0.000 1.094 219 V CA -0.763 61.294 62.300 -0.405 0.000 1.000 219 V CB 1.730 33.400 31.823 -0.255 0.000 1.060 219 V HN 0.611 nan 8.190 nan 0.000 0.443 220 Y N 1.438 121.721 120.300 -0.029 0.000 2.504 220 Y HA 0.643 5.193 4.550 0.001 0.000 0.339 220 Y C 1.324 177.231 175.900 0.012 0.000 0.974 220 Y CA 0.057 58.138 58.100 -0.032 0.000 1.232 220 Y CB 1.596 40.020 38.460 -0.060 0.000 1.108 220 Y HN 0.879 nan 8.280 nan 0.000 0.509 221 G N 1.015 109.900 108.800 0.141 0.000 2.985 221 G HA2 -0.008 3.953 3.960 0.001 0.000 0.209 221 G HA3 -0.008 3.953 3.960 0.001 0.000 0.209 221 G C 0.320 175.273 174.900 0.089 0.000 1.165 221 G CA -0.098 45.105 45.100 0.171 0.000 0.776 221 G HN 0.868 nan 8.290 nan 0.000 0.541 222 E N -2.192 117.987 120.200 -0.036 0.000 2.586 222 E HA -0.321 4.029 4.350 0.001 0.000 0.259 222 E C 0.276 176.880 176.600 0.007 0.000 1.107 222 E CA 0.380 56.702 56.400 -0.130 0.000 0.754 222 E CB -2.256 27.459 29.700 0.025 0.000 1.335 222 E HN 0.812 nan 8.360 nan 0.000 0.411 223 W N -2.549 118.845 121.300 0.156 0.000 2.323 223 W HA -0.270 4.390 4.660 0.001 0.000 0.261 223 W C 0.670 177.251 176.519 0.103 0.000 1.029 223 W CA 0.285 57.703 57.345 0.122 0.000 0.499 223 W CB -1.496 28.048 29.460 0.139 0.000 2.045 223 W HN 0.322 nan 8.180 nan 0.000 1.374 224 N N 1.592 120.456 118.700 0.274 0.000 2.434 224 N HA 0.211 4.952 4.740 0.001 0.000 0.272 224 N C 1.199 176.793 175.510 0.140 0.000 1.040 224 N CA 0.032 53.198 53.050 0.193 0.000 0.956 224 N CB 0.954 39.538 38.487 0.161 0.000 1.108 224 N HN 0.228 nan 8.380 nan 0.000 0.481 225 R N 3.257 123.821 120.500 0.107 0.000 2.070 225 R HA -0.156 4.184 4.340 0.001 0.000 0.233 225 R C 1.636 177.985 176.300 0.082 0.000 1.137 225 R CA 2.062 58.199 56.100 0.062 0.000 0.945 225 R CB -0.021 30.292 30.300 0.023 0.000 0.845 225 R HN 0.757 nan 8.270 nan 0.000 0.430 226 E N -0.062 120.191 120.200 0.089 0.000 2.150 226 E HA -0.252 4.099 4.350 0.001 0.000 0.193 226 E C 2.135 178.852 176.600 0.196 0.000 0.985 226 E CA 0.916 57.402 56.400 0.143 0.000 0.814 226 E CB -0.356 29.404 29.700 0.100 0.000 0.752 226 E HN 0.315 nan 8.360 nan 0.000 0.466 227 R N 1.087 121.675 120.500 0.147 0.000 2.066 227 R HA -0.088 4.253 4.340 0.001 0.000 0.232 227 R C 2.399 178.793 176.300 0.157 0.000 1.131 227 R CA 1.411 57.597 56.100 0.143 0.000 0.955 227 R CB -0.361 30.018 30.300 0.132 0.000 0.851 227 R HN 0.257 nan 8.270 nan 0.000 0.432 228 A N 0.161 123.064 122.820 0.138 0.000 1.933 228 A HA -0.221 4.100 4.320 0.001 0.000 0.218 228 A C 2.000 179.600 177.584 0.026 0.000 1.175 228 A CA 1.342 53.420 52.037 0.069 0.000 0.628 228 A CB -0.873 18.056 19.000 -0.117 0.000 0.814 228 A HN 0.646 nan 8.150 nan 0.000 0.444 229 Y N 0.672 120.945 120.300 -0.044 0.000 2.128 229 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 229 Y C 2.410 178.328 175.900 0.031 0.000 1.154 229 Y CA 2.104 60.185 58.100 -0.031 0.000 1.149 229 Y CB -0.213 38.233 38.460 -0.023 0.000 0.976 229 Y HN 0.170 nan 8.280 nan 0.000 0.505 230 R N 0.555 121.010 120.500 -0.074 0.000 2.081 230 R HA -0.148 4.193 4.340 0.001 0.000 0.235 230 R C 2.202 178.470 176.300 -0.054 0.000 1.131 230 R CA 1.844 57.856 56.100 -0.147 0.000 0.960 230 R CB -0.889 29.418 30.300 0.012 0.000 0.856 230 R HN 0.592 nan 8.270 nan 0.000 0.436 231 Q N -0.045 119.806 119.800 0.085 0.000 2.084 231 Q HA -0.028 4.312 4.340 0.001 0.000 0.202 231 Q C 2.106 178.242 176.000 0.226 0.000 0.978 231 Q CA 1.599 57.512 55.803 0.183 0.000 0.844 231 Q CB -0.178 28.762 28.738 0.337 0.000 0.898 231 Q HN 0.341 nan 8.270 nan 0.000 0.426 232 A N 1.003 123.966 122.820 0.238 0.000 1.930 232 A HA -0.237 4.083 4.320 0.001 0.000 0.217 232 A C 1.971 179.605 177.584 0.083 0.000 1.175 232 A CA 1.280 53.466 52.037 0.249 0.000 0.627 232 A CB -0.408 18.655 19.000 0.106 0.000 0.815 232 A HN 0.335 nan 8.150 nan 0.000 0.443 233 Q N -0.615 119.135 119.800 -0.082 0.000 2.096 233 Q HA -0.267 4.073 4.340 0.001 0.000 0.204 233 Q C 2.318 178.296 176.000 -0.037 0.000 0.982 233 Q CA 1.994 57.726 55.803 -0.119 0.000 0.850 233 Q CB -0.204 28.378 28.738 -0.260 0.000 0.901 233 Q HN 0.809 nan 8.270 nan 0.000 0.422 234 Q N 0.100 119.892 119.800 -0.014 0.000 2.033 234 Q HA -0.060 4.280 4.340 0.001 0.000 0.196 234 Q C 2.247 178.255 176.000 0.014 0.000 0.970 234 Q CA 0.832 56.632 55.803 -0.006 0.000 0.828 234 Q CB -0.036 28.701 28.738 -0.001 0.000 0.895 234 Q HN 0.331 nan 8.270 nan 0.000 0.440 235 L N 0.593 121.869 121.223 0.088 0.000 2.042 235 L HA -0.207 4.134 4.340 0.001 0.000 0.210 235 L C 2.293 179.271 176.870 0.179 0.000 1.076 235 L CA 1.026 55.965 54.840 0.165 0.000 0.749 235 L CB -0.403 41.791 42.059 0.225 0.000 0.893 235 L HN 0.247 nan 8.230 nan 0.000 0.432 236 L N -0.391 120.926 121.223 0.155 0.000 2.275 236 L HA -0.181 4.160 4.340 0.001 0.000 0.215 236 L C 2.601 179.514 176.870 0.072 0.000 1.119 236 L CA 0.983 55.906 54.840 0.137 0.000 0.790 236 L CB -0.327 41.817 42.059 0.141 0.000 0.919 236 L HN 0.264 nan 8.230 nan 0.000 0.443 237 K N 0.237 120.651 120.400 0.022 0.000 2.098 237 K HA -0.160 4.161 4.320 0.001 0.000 0.203 237 K C 2.303 178.856 176.600 -0.078 0.000 1.051 237 K CA 0.593 56.869 56.287 -0.018 0.000 0.957 237 K CB 0.208 32.690 32.500 -0.029 0.000 0.738 237 K HN -0.033 nan 8.250 nan 0.000 0.447 238 R N -0.144 120.256 120.500 -0.166 0.000 2.092 238 R HA -0.089 4.252 4.340 0.001 0.000 0.231 238 R C -0.062 175.925 176.300 -0.521 0.000 1.119 238 R CA 1.443 57.300 56.100 -0.406 0.000 0.970 238 R CB -0.054 29.868 30.300 -0.630 0.000 0.864 238 R HN 0.137 nan 8.270 nan 0.000 0.440 239 Y N 0.629 120.932 120.300 0.006 0.000 2.747 239 Y HA 0.363 4.914 4.550 0.001 0.000 0.362 239 Y C -1.803 174.103 175.900 0.010 0.000 1.026 239 Y CA -2.861 55.242 58.100 0.004 0.000 1.135 239 Y CB 1.519 39.977 38.460 -0.003 0.000 1.175 239 Y HN 0.130 nan 8.280 nan 0.000 0.643 240 P HA -0.148 nan 4.420 nan 0.000 0.225 240 P C 0.527 177.871 177.300 0.074 0.000 1.148 240 P CA 1.249 64.393 63.100 0.074 0.000 0.779 240 P CB 0.461 32.185 31.700 0.040 0.000 0.780 241 K N -0.594 119.859 120.400 0.088 0.000 2.486 241 K HA 0.065 4.386 4.320 0.001 0.000 0.194 241 K C 0.583 177.210 176.600 0.044 0.000 1.033 241 K CA 0.222 56.547 56.287 0.063 0.000 1.004 241 K CB -0.515 32.026 32.500 0.069 0.000 0.798 241 K HN 0.096 nan 8.250 nan 0.000 0.495 242 T N 2.382 116.970 114.554 0.057 0.000 2.866 242 T HA -0.042 4.308 4.350 0.001 0.000 0.293 242 T C 0.927 175.614 174.700 -0.022 0.000 1.005 242 T CA 0.635 62.742 62.100 0.012 0.000 1.162 242 T CB 0.698 69.586 68.868 0.033 0.000 0.968 242 T HN 0.264 nan 8.240 nan 0.000 0.530 243 Q N 1.715 121.481 119.800 -0.057 0.000 2.245 243 Q HA 0.317 4.658 4.340 0.001 0.000 0.250 243 Q C -0.090 175.834 176.000 -0.126 0.000 0.830 243 Q CA 0.203 55.962 55.803 -0.073 0.000 0.950 243 Q CB 0.721 29.424 28.738 -0.057 0.000 1.124 243 Q HN 0.538 nan 8.270 nan 0.000 0.502 244 L N 0.929 122.070 121.223 -0.137 0.000 2.386 244 L HA 0.584 4.924 4.340 0.001 0.000 0.271 244 L C -0.950 175.816 176.870 -0.173 0.000 0.993 244 L CA -1.035 53.709 54.840 -0.160 0.000 0.819 244 L CB 2.531 44.534 42.059 -0.094 0.000 1.294 244 L HN -0.255 nan 8.230 nan 0.000 0.414 245 V N 1.354 121.117 119.914 -0.253 0.000 2.447 245 V HA 0.248 4.368 4.120 0.001 0.000 0.292 245 V C -1.098 175.067 176.094 0.119 0.000 1.021 245 V CA -0.470 61.765 62.300 -0.108 0.000 0.850 245 V CB 1.633 33.219 31.823 -0.395 0.000 1.005 245 V HN 0.736 nan 8.190 nan 0.000 0.426 246 W N 4.696 126.009 121.300 0.022 0.000 2.338 246 W HA 0.649 5.310 4.660 0.000 0.000 0.307 246 W C 0.041 176.650 176.519 0.150 0.000 1.167 246 W CA 0.172 57.546 57.345 0.048 0.000 1.208 246 W CB 1.436 30.891 29.460 -0.009 0.000 1.228 246 W HN 0.500 nan 8.180 nan 0.000 0.499 247 S N 3.796 119.409 115.700 -0.146 0.000 2.521 247 S HA 0.489 4.960 4.470 0.001 0.000 0.295 247 S C 0.553 174.797 174.600 -0.593 0.000 1.098 247 S CA -0.336 57.790 58.200 -0.123 0.000 0.999 247 S CB 1.868 65.085 63.200 0.028 0.000 1.034 247 S HN 0.672 nan 8.310 nan 0.000 0.483 248 A N 2.370 124.951 122.820 -0.399 0.000 2.168 248 A HA 0.080 4.400 4.320 0.001 0.000 0.215 248 A C 0.784 178.381 177.584 0.021 0.000 1.152 248 A CA 0.857 52.725 52.037 -0.281 0.000 0.716 248 A CB -0.526 18.557 19.000 0.139 0.000 0.794 248 A HN 0.816 nan 8.150 nan 0.000 0.465 249 N N -1.633 117.099 118.700 0.053 0.000 2.825 249 N HA 0.097 4.837 4.740 0.001 0.000 0.253 249 N C -0.457 175.052 175.510 -0.001 0.000 1.426 249 N CA 0.027 53.096 53.050 0.030 0.000 0.851 249 N CB 0.284 38.846 38.487 0.124 0.000 1.470 249 N HN -0.022 nan 8.380 nan 0.000 0.517 250 D N -0.660 119.729 120.400 -0.018 0.000 2.183 250 D HA -0.078 4.563 4.640 0.001 0.000 0.203 250 D C 0.074 176.367 176.300 -0.011 0.000 0.969 250 D CA 1.113 55.100 54.000 -0.021 0.000 0.842 250 D CB -0.184 40.604 40.800 -0.020 0.000 0.957 250 D HN 0.555 nan 8.370 nan 0.000 0.484 254 L N 0.895 122.028 121.223 -0.149 0.000 2.083 254 L HA -0.049 4.291 4.340 0.001 0.000 0.209 254 L C 2.665 179.440 176.870 -0.158 0.000 1.083 254 L CA 1.590 56.327 54.840 -0.172 0.000 0.752 254 L CB -0.462 41.529 42.059 -0.114 0.000 0.899 254 L HN 0.569 nan 8.230 nan 0.000 0.433 255 G N -0.237 108.497 108.800 -0.110 0.000 2.404 255 G HA2 -0.033 3.927 3.960 0.001 0.000 0.215 255 G HA3 -0.033 3.927 3.960 0.001 0.000 0.215 255 G C 0.971 175.878 174.900 0.012 0.000 1.174 255 G CA 0.534 45.617 45.100 -0.030 0.000 0.780 255 G HN 0.435 nan 8.290 nan 0.000 0.537 259 A N 1.255 124.238 122.820 0.273 0.000 1.940 259 A HA -0.004 4.317 4.320 0.001 0.000 0.219 259 A C 2.071 179.729 177.584 0.123 0.000 1.176 259 A CA 2.113 54.253 52.037 0.171 0.000 0.631 259 A CB -0.762 18.250 19.000 0.021 0.000 0.814 259 A HN 0.545 nan 8.150 nan 0.000 0.446 260 A N -0.184 122.722 122.820 0.143 0.000 1.877 260 A HA -0.172 4.149 4.320 0.001 0.000 0.216 260 A C 2.248 179.899 177.584 0.112 0.000 1.186 260 A CA 1.520 53.659 52.037 0.170 0.000 0.620 260 A CB -0.493 18.693 19.000 0.311 0.000 0.822 260 A HN 0.548 nan 8.150 nan 0.000 0.443 261 R N -0.401 120.143 120.500 0.074 0.000 2.096 261 R HA -0.146 4.194 4.340 0.001 0.000 0.235 261 R C 2.002 178.336 176.300 0.056 0.000 1.127 261 R CA 1.595 57.726 56.100 0.051 0.000 0.968 261 R CB -0.344 29.968 30.300 0.019 0.000 0.861 261 R HN 0.672 nan 8.270 nan 0.000 0.440 262 E N 0.440 120.684 120.200 0.073 0.000 2.265 262 E HA -0.122 4.229 4.350 0.001 0.000 0.196 262 E C 1.489 178.122 176.600 0.055 0.000 0.996 262 E CA 0.718 57.160 56.400 0.069 0.000 0.832 262 E CB 0.100 29.860 29.700 0.099 0.000 0.756 262 E HN 0.322 nan 8.360 nan 0.000 0.491 263 L N -1.090 120.168 121.223 0.059 0.000 2.607 263 L HA 0.213 4.554 4.340 0.001 0.000 0.228 263 L C 1.360 178.259 176.870 0.047 0.000 1.123 263 L CA 0.339 55.209 54.840 0.049 0.000 0.890 263 L CB 0.405 42.497 42.059 0.056 0.000 1.103 263 L HN 0.287 nan 8.230 nan 0.000 0.468 264 G N -0.204 108.626 108.800 0.049 0.000 2.176 264 G HA2 -0.202 3.758 3.960 0.001 0.000 0.232 264 G HA3 -0.202 3.758 3.960 0.001 0.000 0.232 264 G C 0.342 175.273 174.900 0.052 0.000 0.986 264 G CA -0.467 44.659 45.100 0.044 0.000 0.643 264 G HN 0.125 nan 8.290 nan 0.000 0.522 265 R N 0.289 120.832 120.500 0.071 0.000 2.637 265 R HA 0.524 4.865 4.340 0.001 0.000 0.269 265 R C 0.123 176.477 176.300 0.090 0.000 1.089 265 R CA -0.076 56.076 56.100 0.088 0.000 1.177 265 R CB 0.306 30.681 30.300 0.125 0.000 1.091 265 R HN 0.149 nan 8.270 nan 0.000 0.540 266 K N 2.266 122.724 120.400 0.096 0.000 2.530 266 K HA 0.324 4.645 4.320 0.001 0.000 0.230 266 K C -2.531 174.146 176.600 0.128 0.000 1.002 266 K CA -2.053 54.286 56.287 0.086 0.000 1.014 266 K CB 1.571 34.105 32.500 0.057 0.000 1.286 266 K HN 0.234 nan 8.250 nan 0.000 0.480 267 P HA -0.057 nan 4.420 nan 0.000 0.261 267 P C 0.901 178.292 177.300 0.152 0.000 1.183 267 P CA 1.145 64.389 63.100 0.239 0.000 0.761 267 P CB 0.546 32.245 31.700 -0.002 0.000 0.785 268 G N 2.110 111.023 108.800 0.188 0.000 2.234 268 G HA2 -0.264 3.696 3.960 0.001 0.000 0.235 268 G HA3 -0.264 3.696 3.960 0.001 0.000 0.235 268 G C 0.918 175.858 174.900 0.067 0.000 0.997 268 G CA 0.663 45.827 45.100 0.107 0.000 0.623 268 G HN 0.489 nan 8.290 nan 0.000 0.514 269 T N 0.271 114.865 114.554 0.068 0.000 3.286 269 T HA 0.244 4.594 4.350 0.001 0.000 0.237 269 T C 1.622 176.342 174.700 0.033 0.000 0.969 269 T CA 1.536 63.660 62.100 0.040 0.000 1.298 269 T CB -0.070 68.819 68.868 0.035 0.000 1.053 269 T HN 0.471 nan 8.240 nan 0.000 0.402 270 D N -0.103 120.324 120.400 0.045 0.000 2.407 270 D HA 0.297 4.938 4.640 0.001 0.000 0.208 270 D C -0.056 176.259 176.300 0.026 0.000 1.083 270 D CA -0.147 53.871 54.000 0.030 0.000 0.844 270 D CB 0.325 41.145 40.800 0.033 0.000 0.967 270 D HN 0.171 nan 8.370 nan 0.000 0.506 271 L N 1.018 122.271 121.223 0.050 0.000 2.482 271 L HA 0.435 4.775 4.340 0.001 0.000 0.269 271 L C -1.885 174.986 176.870 0.001 0.000 0.967 271 L CA -0.846 53.990 54.840 -0.006 0.000 0.851 271 L CB 1.763 43.857 42.059 0.059 0.000 1.242 271 L HN -0.001 nan 8.230 nan 0.000 0.404 272 L N 5.048 126.196 121.223 -0.124 0.000 2.295 272 L HA 0.554 4.895 4.340 0.001 0.000 0.285 272 L C -0.939 175.813 176.870 -0.198 0.000 1.035 272 L CA -0.386 54.430 54.840 -0.040 0.000 0.806 272 L CB 1.283 43.330 42.059 -0.020 0.000 1.214 272 L HN 0.462 nan 8.230 nan 0.000 0.426 273 F N 0.659 120.622 119.950 0.020 0.000 2.522 273 F HA 0.533 5.060 4.527 0.001 0.000 0.324 273 F C 0.463 176.257 175.800 -0.009 0.000 1.077 273 F CA -0.556 57.454 58.000 0.017 0.000 0.944 273 F CB 2.336 41.337 39.000 0.000 0.000 1.175 273 F HN 0.463 nan 8.300 nan 0.000 0.468 274 S N 0.909 116.695 115.700 0.143 0.000 2.600 274 S HA 0.999 5.469 4.470 0.001 0.000 0.300 274 S C -0.586 173.973 174.600 -0.069 0.000 1.087 274 S CA -0.618 57.584 58.200 0.004 0.000 0.965 274 S CB 2.052 65.207 63.200 -0.075 0.000 1.089 274 S HN 1.072 nan 8.310 nan 0.000 0.496 275 G N -0.159 108.568 108.800 -0.121 0.000 2.649 275 G HA2 0.618 4.578 3.960 0.001 0.000 0.290 275 G HA3 0.618 4.578 3.960 0.001 0.000 0.290 275 G C -1.884 172.913 174.900 -0.171 0.000 1.426 275 G CA -0.686 44.325 45.100 -0.148 0.000 0.794 275 G HN 1.016 nan 8.290 nan 0.000 0.483 276 V N 1.162 120.979 119.914 -0.162 0.000 2.735 276 V HA 0.806 4.926 4.120 0.001 0.000 0.310 276 V C -0.127 175.957 176.094 -0.016 0.000 1.061 276 V CA -0.605 61.609 62.300 -0.143 0.000 0.913 276 V CB 1.542 33.189 31.823 -0.293 0.000 1.005 276 V HN 1.082 nan 8.190 nan 0.000 0.428 277 N N 1.771 120.558 118.700 0.145 0.000 6.996 277 N HA -0.122 4.618 4.740 0.001 0.000 0.426 277 N C -0.279 175.314 175.510 0.138 0.000 0.941 277 N CA 0.350 53.531 53.050 0.218 0.000 1.136 277 N CB -0.764 37.777 38.487 0.091 0.000 0.873 277 N HN 1.041 nan 8.380 nan 0.000 0.181 278 S N -2.238 113.493 115.700 0.051 0.000 2.801 278 S HA 0.349 4.819 4.470 0.001 0.000 0.236 278 S C -0.219 174.324 174.600 -0.095 0.000 0.852 278 S CA 0.230 58.406 58.200 -0.040 0.000 1.089 278 S CB -0.480 62.652 63.200 -0.113 0.000 1.376 278 S HN 1.007 nan 8.310 nan 0.000 0.470 279 S N 1.260 116.928 115.700 -0.054 0.000 2.573 279 S HA 0.328 4.799 4.470 0.001 0.000 0.277 279 S C -1.596 172.967 174.600 -0.062 0.000 1.346 279 S CA -0.457 57.706 58.200 -0.061 0.000 1.034 279 S CB 0.294 63.474 63.200 -0.033 0.000 0.879 279 S HN 0.144 nan 8.310 nan 0.000 0.528 280 P HA -0.154 nan 4.420 nan 0.000 0.215 280 P C 1.442 178.716 177.300 -0.044 0.000 1.157 280 P CA 1.445 64.513 63.100 -0.054 0.000 0.874 280 P CB 0.055 31.725 31.700 -0.050 0.000 0.790 281 E N -0.783 119.390 120.200 -0.045 0.000 2.110 281 E HA -0.172 4.178 4.350 0.001 0.000 0.193 281 E C 1.944 178.515 176.600 -0.047 0.000 0.988 281 E CA 1.077 57.449 56.400 -0.047 0.000 0.804 281 E CB -0.430 29.239 29.700 -0.052 0.000 0.745 281 E HN 0.073 nan 8.360 nan 0.000 0.458 282 A N 0.743 123.537 122.820 -0.044 0.000 1.898 282 A HA -0.124 4.197 4.320 0.001 0.000 0.216 282 A C 2.134 179.701 177.584 -0.029 0.000 1.181 282 A CA 0.879 52.892 52.037 -0.039 0.000 0.620 282 A CB -0.536 18.445 19.000 -0.031 0.000 0.819 282 A HN 0.248 nan 8.150 nan 0.000 0.442 283 L N -1.062 120.145 121.223 -0.027 0.000 2.046 283 L HA -0.230 4.111 4.340 0.001 0.000 0.208 283 L C 2.843 179.703 176.870 -0.017 0.000 1.077 283 L CA 1.719 56.548 54.840 -0.017 0.000 0.747 283 L CB -0.468 41.577 42.059 -0.023 0.000 0.896 283 L HN 0.451 nan 8.230 nan 0.000 0.432 284 Q N 0.293 120.078 119.800 -0.024 0.000 2.124 284 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 284 Q C 2.184 178.170 176.000 -0.023 0.000 0.977 284 Q CA 1.957 57.747 55.803 -0.023 0.000 0.850 284 Q CB -0.231 28.490 28.738 -0.028 0.000 0.901 284 Q HN 0.431 nan 8.270 nan 0.000 0.429 285 A N -0.063 122.738 122.820 -0.032 0.000 1.933 285 A HA -0.119 4.202 4.320 0.001 0.000 0.218 285 A C 1.989 179.562 177.584 -0.019 0.000 1.175 285 A CA 1.377 53.392 52.037 -0.037 0.000 0.628 285 A CB -0.735 18.229 19.000 -0.060 0.000 0.814 285 A HN 0.466 nan 8.150 nan 0.000 0.444 286 L N -0.043 121.174 121.223 -0.011 0.000 2.056 286 L HA -0.066 4.274 4.340 0.001 0.000 0.207 286 L C 2.215 179.089 176.870 0.006 0.000 1.078 286 L CA 1.670 56.512 54.840 0.003 0.000 0.749 286 L CB -0.374 41.690 42.059 0.009 0.000 0.901 286 L HN 0.427 nan 8.230 nan 0.000 0.433 287 I N -0.283 120.288 120.570 0.002 0.000 2.286 287 I HA -0.272 3.899 4.170 0.001 0.000 0.248 287 I C 1.559 177.677 176.117 0.002 0.000 1.115 287 I CA 1.304 62.606 61.300 0.004 0.000 1.392 287 I CB -0.508 37.492 38.000 0.000 0.000 1.065 287 I HN 0.277 nan 8.210 nan 0.000 0.418 288 D N 0.560 120.958 120.400 -0.003 0.000 2.363 288 D HA 0.011 4.651 4.640 0.001 0.000 0.220 288 D C 1.758 178.059 176.300 0.002 0.000 0.994 288 D CA 1.121 55.119 54.000 -0.004 0.000 0.890 288 D CB 0.149 40.942 40.800 -0.012 0.000 0.906 288 D HN 0.474 nan 8.370 nan 0.000 0.530 289 G N 0.987 109.791 108.800 0.007 0.000 2.179 289 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 289 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 289 G C 1.360 176.273 174.900 0.022 0.000 0.977 289 G CA 0.407 45.517 45.100 0.016 0.000 0.641 289 G HN 0.202 nan 8.290 nan 0.000 0.533 290 K N -0.909 119.495 120.400 0.007 0.000 2.167 290 K HA 0.206 4.527 4.320 0.001 0.000 0.203 290 K C 1.137 177.746 176.600 0.015 0.000 1.052 290 K CA 0.525 56.813 56.287 0.002 0.000 0.956 290 K CB -0.071 32.405 32.500 -0.040 0.000 0.735 290 K HN 0.553 nan 8.250 nan 0.000 0.451 291 L N 0.815 122.043 121.223 0.007 0.000 2.282 291 L HA 0.186 4.526 4.340 0.001 0.000 0.288 291 L C 0.742 177.647 176.870 0.058 0.000 1.033 291 L CA 0.361 55.221 54.840 0.033 0.000 0.807 291 L CB 1.823 43.877 42.059 -0.009 0.000 1.209 291 L HN -0.096 nan 8.230 nan 0.000 0.423 292 S N 2.685 118.442 115.700 0.096 0.000 2.439 292 S HA 0.207 4.678 4.470 0.001 0.000 0.224 292 S C 0.244 174.873 174.600 0.048 0.000 1.029 292 S CA 0.314 58.555 58.200 0.069 0.000 0.946 292 S CB 0.219 63.464 63.200 0.075 0.000 0.797 292 S HN 0.415 nan 8.310 nan 0.000 0.504 293 V N 1.993 121.932 119.914 0.041 0.000 2.686 293 V HA 0.582 4.703 4.120 0.001 0.000 0.306 293 V C -1.442 174.650 176.094 -0.003 0.000 1.065 293 V CA -0.753 61.557 62.300 0.016 0.000 0.894 293 V CB 1.940 33.764 31.823 0.002 0.000 1.004 293 V HN 0.181 nan 8.190 nan 0.000 0.424 294 L N 3.948 125.172 121.223 0.001 0.000 2.457 294 L HA 0.615 4.956 4.340 0.001 0.000 0.266 294 L C -0.363 176.519 176.870 0.019 0.000 0.979 294 L CA -0.067 54.772 54.840 -0.002 0.000 0.857 294 L CB 1.685 43.753 42.059 0.016 0.000 1.213 294 L HN 0.593 nan 8.230 nan 0.000 0.418 295 E N 3.782 123.969 120.200 -0.023 0.000 2.229 295 E HA 0.691 5.041 4.350 0.001 0.000 0.283 295 E C -0.631 176.099 176.600 0.218 0.000 1.030 295 E CA -0.099 56.314 56.400 0.021 0.000 0.836 295 E CB 1.751 31.297 29.700 -0.257 0.000 1.068 295 E HN 0.689 nan 8.360 nan 0.000 0.401 296 A N 0.836 123.880 122.820 0.374 0.000 2.566 296 A HA 0.795 5.115 4.320 0.001 0.000 0.292 296 A C 0.564 178.376 177.584 0.379 0.000 1.112 296 A CA 0.016 52.319 52.037 0.442 0.000 0.707 296 A CB 1.842 21.017 19.000 0.292 0.000 1.302 296 A HN 0.571 nan 8.150 nan 0.000 0.409 297 G N -0.499 108.494 108.800 0.321 0.000 2.705 297 G HA2 -0.141 3.820 3.960 0.001 0.000 0.193 297 G HA3 -0.141 3.820 3.960 0.001 0.000 0.193 297 G C 0.859 175.610 174.900 -0.248 0.000 1.015 297 G CA 0.977 46.072 45.100 -0.009 0.000 0.743 297 G HN 1.843 nan 8.290 nan 0.000 0.476 298 H N 1.559 120.349 119.070 -0.466 0.000 2.546 298 H HA 0.109 4.665 4.556 0.000 0.000 0.277 298 H C 2.122 177.365 175.328 -0.142 0.000 1.004 298 H CA 0.906 56.703 56.048 -0.419 0.000 1.231 298 H CB -0.989 28.429 29.762 -0.574 0.000 1.382 298 H HN 0.776 nan 8.280 nan 0.000 0.580 299 F N 2.330 122.061 119.950 -0.365 0.000 2.546 299 F HA 0.036 4.565 4.527 0.003 0.000 0.298 299 F C 1.885 177.170 175.800 -0.859 0.000 1.120 299 F CA 0.998 58.669 58.000 -0.548 0.000 1.456 299 F CB -0.634 38.054 39.000 -0.519 0.000 1.088 299 F HN 0.133 nan 8.300 nan 0.000 0.572 300 T N -1.948 111.628 114.554 -1.630 0.000 3.081 300 T HA 0.058 4.408 4.350 0.001 0.000 0.255 300 T C 1.822 175.613 174.700 -1.515 0.000 1.113 300 T CA 0.545 61.425 62.100 -2.033 0.000 1.082 300 T CB -0.650 67.027 68.868 -1.986 0.000 0.939 300 T HN 0.513 nan 8.240 nan 0.000 0.506 301 L N 1.360 122.026 121.223 -0.928 0.000 2.043 301 L HA 0.008 4.348 4.340 0.001 0.000 0.212 301 L C 2.752 179.244 176.870 -0.630 0.000 1.075 301 L CA 1.883 56.399 54.840 -0.541 0.000 0.752 301 L CB -0.910 41.087 42.059 -0.103 0.000 0.891 301 L HN 0.460 nan 8.230 nan 0.000 0.432 302 G N -1.264 106.909 108.800 -1.044 0.000 2.442 302 G HA2 -0.241 3.719 3.960 0.001 0.000 0.219 302 G HA3 -0.241 3.719 3.960 0.001 0.000 0.219 302 G C 1.446 175.969 174.900 -0.627 0.000 1.141 302 G CA 0.646 45.251 45.100 -0.825 0.000 0.763 302 G HN 0.566 nan 8.290 nan 0.000 0.554 303 G N 0.139 108.547 108.800 -0.653 0.000 2.402 303 G HA2 -0.180 3.780 3.960 0.001 0.000 0.216 303 G HA3 -0.180 3.780 3.960 0.001 0.000 0.216 303 G C 1.645 176.273 174.900 -0.454 0.000 1.162 303 G CA 0.714 45.431 45.100 -0.638 0.000 0.777 303 G HN 0.592 nan 8.290 nan 0.000 0.539 304 W N 0.913 121.930 121.300 -0.473 0.000 2.363 304 W HA 0.118 4.781 4.660 0.006 0.000 0.296 304 W C 2.992 178.979 176.519 -0.888 0.000 1.212 304 W CA 0.180 56.890 57.345 -1.058 0.000 1.260 304 W CB -0.019 28.479 29.460 -1.604 0.000 1.131 304 W HN 0.266 nan 8.180 nan 0.000 0.530 305 A N 0.829 123.424 122.820 -0.375 0.000 1.933 305 A HA -0.175 4.146 4.320 0.001 0.000 0.218 305 A C 1.940 179.251 177.584 -0.455 0.000 1.175 305 A CA 1.347 53.203 52.037 -0.302 0.000 0.628 305 A CB -0.974 18.009 19.000 -0.029 0.000 0.814 305 A HN 0.327 nan 8.150 nan 0.000 0.444 306 L N -0.612 120.366 121.223 -0.408 0.000 2.141 306 L HA -0.126 4.215 4.340 0.001 0.000 0.209 306 L C 2.454 179.135 176.870 -0.315 0.000 1.094 306 L CA 0.701 55.311 54.840 -0.383 0.000 0.763 306 L CB -0.468 41.353 42.059 -0.396 0.000 0.908 306 L HN 0.245 nan 8.230 nan 0.000 0.437 307 V N 0.149 119.897 119.914 -0.278 0.000 2.358 307 V HA -0.274 3.847 4.120 0.001 0.000 0.246 307 V C 2.764 178.740 176.094 -0.197 0.000 1.047 307 V CA 1.823 64.032 62.300 -0.153 0.000 1.035 307 V CB -0.797 31.041 31.823 0.025 0.000 0.658 307 V HN 0.474 nan 8.190 nan 0.000 0.452 308 A N -0.269 122.299 122.820 -0.421 0.000 1.902 308 A HA -0.136 4.184 4.320 0.001 0.000 0.217 308 A C 2.207 179.580 177.584 -0.353 0.000 1.181 308 A CA 1.714 53.463 52.037 -0.479 0.000 0.623 308 A CB -0.505 17.905 19.000 -0.982 0.000 0.818 308 A HN 0.500 nan 8.150 nan 0.000 0.443 309 L N -1.247 119.652 121.223 -0.540 0.000 2.093 309 L HA -0.175 4.166 4.340 0.001 0.000 0.208 309 L C 2.733 179.332 176.870 -0.452 0.000 1.085 309 L CA 1.456 55.870 54.840 -0.710 0.000 0.755 309 L CB -0.796 40.669 42.059 -0.990 0.000 0.904 309 L HN 0.645 nan 8.230 nan 0.000 0.435 310 H N 0.774 119.639 119.070 -0.341 0.000 2.352 310 H HA -0.207 4.348 4.556 -0.002 0.000 0.299 310 H C 1.477 176.745 175.328 -0.100 0.000 1.097 310 H CA 2.175 58.114 56.048 -0.182 0.000 1.311 310 H CB 0.121 29.803 29.762 -0.133 0.000 1.377 310 H HN 0.312 nan 8.280 nan 0.000 0.504 311 D N 0.092 120.546 120.400 0.089 0.000 2.149 311 D HA -0.110 4.530 4.640 0.001 0.000 0.201 311 D C 1.980 178.278 176.300 -0.004 0.000 0.972 311 D CA 1.240 55.302 54.000 0.104 0.000 0.835 311 D CB -0.560 40.408 40.800 0.279 0.000 0.966 311 D HN 0.538 nan 8.370 nan 0.000 0.476 312 D N 0.291 120.651 120.400 -0.067 0.000 2.117 312 D HA -0.107 4.533 4.640 0.001 0.000 0.197 312 D C 1.907 178.136 176.300 -0.117 0.000 0.987 312 D CA 1.529 55.445 54.000 -0.139 0.000 0.829 312 D CB -0.001 40.585 40.800 -0.356 0.000 0.961 312 D HN 0.085 nan 8.370 nan 0.000 0.460 313 A N -0.163 122.613 122.820 -0.073 0.000 2.019 313 A HA -0.032 4.289 4.320 0.001 0.000 0.219 313 A C 2.160 179.690 177.584 -0.091 0.000 1.164 313 A CA 0.768 52.791 52.037 -0.023 0.000 0.644 313 A CB -0.583 18.427 19.000 0.017 0.000 0.805 313 A HN 0.402 nan 8.150 nan 0.000 0.449 314 L N -1.497 119.649 121.223 -0.128 0.000 2.591 314 L HA 0.188 4.529 4.340 0.001 0.000 0.228 314 L C 1.707 178.545 176.870 -0.054 0.000 1.133 314 L CA 0.536 55.313 54.840 -0.105 0.000 0.880 314 L CB -0.106 41.876 42.059 -0.129 0.000 1.033 314 L HN 0.573 nan 8.230 nan 0.000 0.450 315 G N 0.429 109.199 108.800 -0.050 0.000 2.176 315 G HA2 -0.285 3.675 3.960 0.001 0.000 0.253 315 G HA3 -0.285 3.675 3.960 0.001 0.000 0.253 315 G C 0.339 175.241 174.900 0.004 0.000 0.979 315 G CA -0.230 44.851 45.100 -0.030 0.000 0.641 315 G HN 0.252 nan 8.290 nan 0.000 0.530 316 L N 2.417 123.655 121.223 0.025 0.000 2.480 316 L HA 0.335 4.676 4.340 0.001 0.000 0.243 316 L C 0.945 177.896 176.870 0.135 0.000 1.315 316 L CA -0.042 54.843 54.840 0.075 0.000 1.231 316 L CB -0.349 41.767 42.059 0.095 0.000 1.444 316 L HN 0.495 nan 8.230 nan 0.000 0.409 317 D N 0.731 121.199 120.400 0.114 0.000 2.574 317 D HA 0.685 5.325 4.640 0.001 0.000 0.210 317 D C 0.557 176.949 176.300 0.154 0.000 1.277 317 D CA 0.159 54.266 54.000 0.177 0.000 1.121 317 D CB 0.745 41.614 40.800 0.116 0.000 1.192 317 D HN 0.163 nan 8.370 nan 0.000 0.602 318 A N -0.507 122.401 122.820 0.147 0.000 5.950 318 A HA -0.194 4.127 4.320 0.001 0.000 0.259 318 A C 0.402 178.023 177.584 0.061 0.000 2.176 318 A CA 1.098 53.195 52.037 0.100 0.000 0.709 318 A CB -1.465 17.578 19.000 0.071 0.000 1.054 318 A HN 0.636 nan 8.150 nan 0.000 0.357 319 R N 0.501 121.019 120.500 0.031 0.000 2.743 319 R HA 0.484 4.825 4.340 0.001 0.000 0.167 319 R C 2.074 178.378 176.300 0.007 0.000 0.873 319 R CA 0.842 56.940 56.100 -0.003 0.000 1.366 319 R CB -0.456 29.841 30.300 -0.005 0.000 0.940 319 R HN 1.378 nan 8.270 nan 0.000 0.545 320 R N -0.647 119.849 120.500 -0.006 0.000 1.439 320 R HA -0.313 4.027 4.340 0.001 0.000 0.054 320 R C 1.432 177.725 176.300 -0.012 0.000 0.951 320 R CA 2.595 58.690 56.100 -0.009 0.000 1.466 320 R CB -2.239 28.060 30.300 -0.002 0.000 0.473 320 R HN 0.496 nan 8.270 nan 0.000 0.556 321 L N 1.984 123.223 121.223 0.027 0.000 2.551 321 L HA 0.101 4.442 4.340 0.001 0.000 0.228 321 L C 1.802 178.833 176.870 0.268 0.000 1.153 321 L CA 1.159 56.032 54.840 0.055 0.000 0.851 321 L CB -0.288 41.854 42.059 0.139 0.000 0.959 321 L HN 0.850 nan 8.230 nan 0.000 0.451 322 G N -0.822 108.007 108.800 0.049 0.000 2.176 322 G HA2 -0.206 3.754 3.960 0.001 0.000 0.232 322 G HA3 -0.206 3.754 3.960 0.001 0.000 0.232 322 G C 0.557 174.926 174.900 -0.884 0.000 0.986 322 G CA -0.210 44.790 45.100 -0.166 0.000 0.643 322 G HN 0.509 nan 8.290 nan 0.000 0.522 323 G N 0.139 108.349 108.800 -0.982 0.000 2.588 323 G HA2 0.625 4.586 3.960 0.001 0.000 0.281 323 G HA3 0.625 4.586 3.960 0.001 0.000 0.281 323 G C -0.442 174.153 174.900 -0.507 0.000 1.236 323 G CA -0.073 44.175 45.100 -1.420 0.000 0.969 323 G HN 0.173 nan 8.290 nan 0.000 0.504 324 P HA 0.143 nan 4.420 nan 0.000 0.255 324 P C -0.516 176.693 177.300 -0.151 0.000 1.248 324 P CA 0.440 63.448 63.100 -0.154 0.000 0.807 324 P CB 0.674 32.441 31.700 0.111 0.000 1.150 325 D N 0.445 120.699 120.400 -0.243 0.000 2.458 325 D HA 0.099 4.739 4.640 0.001 0.000 0.258 325 D C -0.078 176.212 176.300 -0.017 0.000 1.134 325 D CA -0.254 53.713 54.000 -0.055 0.000 0.915 325 D CB 0.440 41.204 40.800 -0.060 0.000 1.028 325 D HN 0.095 nan 8.370 nan 0.000 0.508 326 W N 1.433 122.836 121.300 0.172 0.000 2.238 326 W HA 0.173 4.830 4.660 -0.004 0.000 0.321 326 W C 0.574 177.175 176.519 0.136 0.000 1.293 326 W CA -0.283 57.179 57.345 0.194 0.000 1.204 326 W CB 0.987 30.622 29.460 0.291 0.000 1.167 326 W HN 0.092 nan 8.180 nan 0.000 0.553 327 Q N 3.660 123.652 119.800 0.320 0.000 2.339 327 Q HA 0.478 4.818 4.340 0.001 0.000 0.268 327 Q C -0.569 175.566 176.000 0.226 0.000 1.027 327 Q CA -0.534 55.399 55.803 0.217 0.000 0.759 327 Q CB 1.921 30.739 28.738 0.135 0.000 1.244 327 Q HN 0.319 nan 8.270 nan 0.000 0.464 328 L N 0.561 121.911 121.223 0.212 0.000 2.333 328 L HA 0.607 4.947 4.340 0.001 0.000 0.269 328 L C -0.092 176.857 176.870 0.132 0.000 1.010 328 L CA -0.937 54.011 54.840 0.181 0.000 0.818 328 L CB 2.106 44.283 42.059 0.196 0.000 1.306 328 L HN 0.425 nan 8.230 nan 0.000 0.430 329 S N 1.827 117.591 115.700 0.108 0.000 2.532 329 S HA 0.459 4.930 4.470 0.001 0.000 0.318 329 S C 0.689 175.334 174.600 0.074 0.000 1.083 329 S CA -0.522 57.739 58.200 0.102 0.000 1.131 329 S CB 0.682 63.939 63.200 0.094 0.000 0.973 329 S HN 0.483 nan 8.310 nan 0.000 0.468 330 L N 1.366 122.607 121.223 0.030 0.000 2.537 330 L HA 0.398 4.738 4.340 0.001 0.000 0.224 330 L C -0.161 176.679 176.870 -0.049 0.000 1.065 330 L CA 0.244 55.060 54.840 -0.040 0.000 0.860 330 L CB 0.038 42.020 42.059 -0.129 0.000 1.086 330 L HN 0.442 nan 8.230 nan 0.000 0.482 331 F N 1.375 121.372 119.950 0.077 0.000 2.518 331 F HA 0.243 4.771 4.527 0.002 0.000 0.359 331 F C 0.419 176.254 175.800 0.057 0.000 1.118 331 F CA 0.212 58.246 58.000 0.057 0.000 1.287 331 F CB 0.393 39.405 39.000 0.020 0.000 1.132 331 F HN -0.002 nan 8.300 nan 0.000 0.587 332 Q N 1.292 121.273 119.800 0.301 0.000 2.315 332 Q HA 0.603 4.943 4.340 0.001 0.000 0.273 332 Q C -1.136 174.954 176.000 0.149 0.000 1.053 332 Q CA -1.154 54.755 55.803 0.177 0.000 0.817 332 Q CB 2.357 31.174 28.738 0.131 0.000 1.326 332 Q HN 0.696 nan 8.270 nan 0.000 0.423 333 A N 3.688 126.565 122.820 0.095 0.000 2.437 333 A HA 0.321 4.642 4.320 0.001 0.000 0.303 333 A C 0.013 177.635 177.584 0.064 0.000 1.324 333 A CA -0.302 51.773 52.037 0.063 0.000 0.983 333 A CB -0.378 18.644 19.000 0.037 0.000 1.142 333 A HN 0.691 nan 8.150 nan 0.000 0.541 334 L N 2.621 123.887 121.223 0.072 0.000 2.543 334 L HA 0.091 4.432 4.340 0.001 0.000 0.285 334 L C 1.405 178.304 176.870 0.048 0.000 1.236 334 L CA 0.164 55.043 54.840 0.065 0.000 0.871 334 L CB 0.209 42.309 42.059 0.068 0.000 1.121 334 L HN 0.833 nan 8.230 nan 0.000 0.501 335 T N -0.567 114.014 114.554 0.045 0.000 2.902 335 T HA 0.312 4.663 4.350 0.001 0.000 0.280 335 T C -1.930 172.790 174.700 0.033 0.000 0.992 335 T CA -1.929 60.193 62.100 0.037 0.000 1.015 335 T CB 1.642 70.531 68.868 0.034 0.000 1.044 335 T HN 0.313 nan 8.240 nan 0.000 0.520 336 P HA -0.024 nan 4.420 nan 0.000 0.216 336 P C 1.653 178.966 177.300 0.022 0.000 1.150 336 P CA 1.385 64.498 63.100 0.022 0.000 0.837 336 P CB -0.263 31.448 31.700 0.019 0.000 0.786 337 A N -0.279 122.555 122.820 0.023 0.000 1.902 337 A HA -0.273 4.047 4.320 0.001 0.000 0.217 337 A C 2.226 179.826 177.584 0.027 0.000 1.181 337 A CA 1.690 53.741 52.037 0.023 0.000 0.623 337 A CB -1.315 17.699 19.000 0.023 0.000 0.818 337 A HN 0.204 nan 8.150 nan 0.000 0.443 338 Q N -0.748 119.072 119.800 0.034 0.000 2.119 338 Q HA -0.051 4.289 4.340 0.001 0.000 0.201 338 Q C 2.408 178.433 176.000 0.042 0.000 0.972 338 Q CA 1.232 57.061 55.803 0.043 0.000 0.847 338 Q CB -0.375 28.395 28.738 0.053 0.000 0.903 338 Q HN 0.681 nan 8.270 nan 0.000 0.433 339 A N 1.212 124.052 122.820 0.035 0.000 1.933 339 A HA -0.224 4.096 4.320 0.001 0.000 0.218 339 A C 2.041 179.634 177.584 0.015 0.000 1.175 339 A CA 1.612 53.664 52.037 0.026 0.000 0.628 339 A CB -0.418 18.594 19.000 0.020 0.000 0.814 339 A HN 0.169 nan 8.150 nan 0.000 0.444 340 R N -0.095 120.414 120.500 0.016 0.000 2.081 340 R HA -0.147 4.193 4.340 0.001 0.000 0.235 340 R C 2.279 178.587 176.300 0.013 0.000 1.131 340 R CA 2.109 58.215 56.100 0.011 0.000 0.960 340 R CB -0.490 29.817 30.300 0.011 0.000 0.856 340 R HN 0.686 nan 8.270 nan 0.000 0.436 341 Q N -0.155 119.658 119.800 0.021 0.000 2.050 341 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 341 Q C 2.181 178.197 176.000 0.027 0.000 0.980 341 Q CA 1.828 57.647 55.803 0.027 0.000 0.840 341 Q CB -0.163 28.597 28.738 0.037 0.000 0.898 341 Q HN 0.369 nan 8.270 nan 0.000 0.424 342 L N 0.220 121.460 121.223 0.028 0.000 2.141 342 L HA -0.183 4.158 4.340 0.001 0.000 0.209 342 L C 2.359 179.218 176.870 -0.019 0.000 1.094 342 L CA 0.351 55.199 54.840 0.014 0.000 0.763 342 L CB -0.374 41.694 42.059 0.015 0.000 0.908 342 L HN 0.262 nan 8.230 nan 0.000 0.437 343 L N 0.258 121.472 121.223 -0.015 0.000 2.027 343 L HA -0.186 4.155 4.340 0.001 0.000 0.206 343 L C 2.746 179.605 176.870 -0.019 0.000 1.074 343 L CA 1.670 56.495 54.840 -0.025 0.000 0.745 343 L CB -0.592 41.456 42.059 -0.018 0.000 0.898 343 L HN 0.114 nan 8.230 nan 0.000 0.433 344 R N -0.747 119.749 120.500 -0.007 0.000 2.081 344 R HA -0.151 4.190 4.340 0.001 0.000 0.235 344 R C 2.240 178.539 176.300 -0.001 0.000 1.131 344 R CA 2.011 58.109 56.100 -0.003 0.000 0.960 344 R CB -0.337 29.965 30.300 0.004 0.000 0.856 344 R HN 0.466 nan 8.270 nan 0.000 0.436 345 L N -0.186 121.040 121.223 0.004 0.000 2.131 345 L HA 0.114 4.455 4.340 0.001 0.000 0.206 345 L C 1.653 178.522 176.870 -0.001 0.000 1.087 345 L CA 0.635 55.482 54.840 0.012 0.000 0.767 345 L CB -0.617 41.463 42.059 0.035 0.000 0.917 345 L HN 0.614 nan 8.230 nan 0.000 0.441 346 G N 0.569 109.352 108.800 -0.028 0.000 2.582 346 G HA2 -0.373 3.587 3.960 0.001 0.000 0.288 346 G HA3 -0.373 3.587 3.960 0.001 0.000 0.288 346 G C 0.141 175.009 174.900 -0.054 0.000 1.247 346 G CA 0.423 45.487 45.100 -0.059 0.000 0.972 346 G HN 0.303 nan 8.290 nan 0.000 0.557 347 D N 1.212 121.585 120.400 -0.045 0.000 2.338 347 D HA 0.122 4.763 4.640 0.001 0.000 0.239 347 D C 2.176 178.500 176.300 0.039 0.000 1.095 347 D CA 0.550 54.544 54.000 -0.011 0.000 0.888 347 D CB 0.238 41.027 40.800 -0.019 0.000 0.899 347 D HN 0.377 nan 8.370 nan 0.000 0.525 348 Q N -0.184 119.638 119.800 0.037 0.000 2.319 348 Q HA 0.059 4.400 4.340 0.001 0.000 0.202 348 Q C 2.007 178.056 176.000 0.081 0.000 0.896 348 Q CA -0.057 55.774 55.803 0.047 0.000 0.942 348 Q CB 0.481 29.235 28.738 0.027 0.000 1.083 348 Q HN 0.194 nan 8.270 nan 0.000 0.510 349 V N 0.903 120.888 119.914 0.118 0.000 2.469 349 V HA -0.179 3.941 4.120 0.001 0.000 0.251 349 V C 1.962 178.201 176.094 0.240 0.000 1.064 349 V CA 2.353 64.759 62.300 0.176 0.000 1.066 349 V CB -0.585 31.369 31.823 0.219 0.000 0.667 349 V HN 0.444 nan 8.190 nan 0.000 0.461 350 G N -0.647 108.326 108.800 0.290 0.000 2.448 350 G HA2 -0.281 3.679 3.960 0.001 0.000 0.219 350 G HA3 -0.281 3.679 3.960 0.001 0.000 0.219 350 G C 1.626 176.572 174.900 0.077 0.000 1.127 350 G CA 1.468 46.669 45.100 0.168 0.000 0.766 350 G HN 0.658 nan 8.290 nan 0.000 0.552 351 T N -1.371 113.225 114.554 0.068 0.000 2.977 351 T HA -0.009 4.342 4.350 0.001 0.000 0.271 351 T C 2.100 176.812 174.700 0.021 0.000 1.105 351 T CA 0.713 62.838 62.100 0.041 0.000 1.116 351 T CB -0.167 68.720 68.868 0.030 0.000 0.878 351 T HN 0.343 nan 8.240 nan 0.000 0.509 352 R N 0.492 121.006 120.500 0.023 0.000 2.334 352 R HA 0.335 4.676 4.340 0.001 0.000 0.220 352 R C -0.398 175.872 176.300 -0.050 0.000 0.917 352 R CA -0.169 55.933 56.100 0.003 0.000 1.073 352 R CB 0.433 30.751 30.300 0.031 0.000 1.056 352 R HN 0.300 nan 8.270 nan 0.000 0.506 353 V N 1.381 121.207 119.914 -0.145 0.000 2.427 353 V HA 0.067 4.187 4.120 0.001 0.000 0.286 353 V C -0.282 175.544 176.094 -0.447 0.000 1.034 353 V CA -0.838 61.238 62.300 -0.373 0.000 0.893 353 V CB 1.692 33.050 31.823 -0.775 0.000 0.982 353 V HN 0.005 nan 8.190 nan 0.000 0.452 354 D N 3.464 123.685 120.400 -0.298 0.000 2.522 354 D HA 0.264 4.904 4.640 0.001 0.000 0.218 354 D C 0.684 176.890 176.300 -0.155 0.000 1.149 354 D CA -0.171 53.733 54.000 -0.161 0.000 0.981 354 D CB 0.138 40.894 40.800 -0.074 0.000 1.041 354 D HN 0.339 nan 8.370 nan 0.000 0.518 355 F N 1.380 121.320 119.950 -0.017 0.000 2.102 355 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 355 F C 2.550 178.312 175.800 -0.063 0.000 1.105 355 F CA 0.862 58.850 58.000 -0.020 0.000 1.239 355 F CB -0.339 38.589 39.000 -0.120 0.000 0.991 355 F HN 0.305 nan 8.300 nan 0.000 0.474 356 R N 0.540 121.088 120.500 0.081 0.000 2.127 356 R HA -0.140 4.201 4.340 0.001 0.000 0.238 356 R C 2.348 178.639 176.300 -0.015 0.000 1.134 356 R CA 1.401 57.480 56.100 -0.034 0.000 0.975 356 R CB -0.858 29.424 30.300 -0.030 0.000 0.865 356 R HN 0.393 nan 8.270 nan 0.000 0.447 357 G N 0.195 108.997 108.800 0.004 0.000 2.509 357 G HA2 -0.146 3.814 3.960 0.001 0.000 0.218 357 G HA3 -0.146 3.814 3.960 0.001 0.000 0.218 357 G C 1.292 176.208 174.900 0.027 0.000 1.124 357 G CA 0.211 45.308 45.100 -0.005 0.000 0.776 357 G HN 0.254 nan 8.290 nan 0.000 0.547 358 L N 0.644 121.925 121.223 0.096 0.000 2.418 358 L HA 0.147 4.487 4.340 0.001 0.000 0.218 358 L C 1.769 178.815 176.870 0.292 0.000 1.125 358 L CA -0.209 54.767 54.840 0.226 0.000 0.835 358 L CB -0.120 42.104 42.059 0.274 0.000 0.953 358 L HN 0.183 nan 8.230 nan 0.000 0.454 359 S N 0.323 116.106 115.700 0.137 0.000 2.558 359 S HA 0.162 4.633 4.470 0.001 0.000 0.288 359 S C 1.216 175.838 174.600 0.037 0.000 1.318 359 S CA 0.146 58.442 58.200 0.159 0.000 1.056 359 S CB 1.412 64.644 63.200 0.053 0.000 0.853 359 S HN 0.292 nan 8.310 nan 0.000 0.505 360 A N 3.684 126.585 122.820 0.135 0.000 2.235 360 A HA 0.121 4.441 4.320 0.001 0.000 0.208 360 A C 1.065 178.588 177.584 -0.102 0.000 1.172 360 A CA 0.133 52.105 52.037 -0.109 0.000 0.786 360 A CB -0.420 18.611 19.000 0.052 0.000 0.804 360 A HN 0.889 nan 8.150 nan 0.000 0.479 361 Q N -0.003 119.789 119.800 -0.013 0.000 2.255 361 Q HA 0.303 4.644 4.340 0.001 0.000 0.280 361 Q C 1.071 177.034 176.000 -0.062 0.000 1.068 361 Q CA 0.768 56.568 55.803 -0.004 0.000 0.911 361 Q CB -0.029 28.746 28.738 0.063 0.000 1.157 361 Q HN 0.862 nan 8.270 nan 0.000 0.380 362 G N 3.392 112.158 108.800 -0.056 0.000 2.168 362 G HA2 -0.293 3.668 3.960 0.001 0.000 0.257 362 G HA3 -0.293 3.668 3.960 0.001 0.000 0.257 362 G C -0.160 174.677 174.900 -0.105 0.000 0.997 362 G CA 0.575 45.637 45.100 -0.064 0.000 0.708 362 G HN 0.522 nan 8.290 nan 0.000 0.520 363 K N 1.437 121.742 120.400 -0.158 0.000 2.143 363 K HA 0.563 4.884 4.320 0.001 0.000 0.272 363 K C -1.061 175.470 176.600 -0.115 0.000 1.001 363 K CA -1.661 54.488 56.287 -0.230 0.000 0.915 363 K CB 0.997 33.186 32.500 -0.519 0.000 1.047 363 K HN 0.196 nan 8.250 nan 0.000 0.458 364 P HA 0.059 nan 4.420 nan 0.000 0.274 364 P C -0.604 176.703 177.300 0.011 0.000 1.260 364 P CA -0.359 62.729 63.100 -0.021 0.000 0.793 364 P CB 0.572 32.267 31.700 -0.009 0.000 1.048 365 D N -1.073 119.336 120.400 0.015 0.000 2.354 365 D HA 0.154 4.794 4.640 0.001 0.000 0.247 365 D C 0.569 176.888 176.300 0.031 0.000 1.138 365 D CA 0.973 54.988 54.000 0.025 0.000 0.958 365 D CB 0.715 41.521 40.800 0.010 0.000 1.144 365 D HN 0.572 nan 8.370 nan 0.000 0.458 366 S N 0.461 116.173 115.700 0.020 0.000 2.827 366 S HA -0.262 4.209 4.470 0.001 0.000 0.269 366 S C -0.000 174.589 174.600 -0.017 0.000 1.323 366 S CA 0.366 58.561 58.200 -0.008 0.000 1.176 366 S CB -2.566 60.630 63.200 -0.007 0.000 1.436 366 S HN 0.540 nan 8.310 nan 0.000 0.673 367 Y N 3.996 124.233 120.300 -0.106 0.000 2.393 367 Y HA 0.666 5.207 4.550 -0.014 0.000 0.338 367 Y C 0.471 176.240 175.900 -0.218 0.000 1.029 367 Y CA -0.435 57.577 58.100 -0.146 0.000 1.239 367 Y CB 0.603 38.974 38.460 -0.147 0.000 1.170 367 Y HN 0.382 nan 8.280 nan 0.000 0.515 368 R N 5.014 125.006 120.500 -0.847 0.000 2.670 368 R HA 0.253 4.594 4.340 0.001 0.000 0.289 368 R C -1.460 174.193 176.300 -1.078 0.000 0.965 368 R CA -1.201 54.460 56.100 -0.732 0.000 0.899 368 R CB 1.481 31.560 30.300 -0.368 0.000 1.173 368 R HN 0.588 nan 8.270 nan 0.000 0.456 369 Y N 2.764 122.597 120.300 -0.779 0.000 2.721 369 Y HA 0.029 4.590 4.550 0.018 0.000 0.329 369 Y C -1.085 174.241 175.900 -0.957 0.000 1.211 369 Y CA -1.261 56.188 58.100 -1.085 0.000 1.512 369 Y CB 0.152 37.613 38.460 -1.665 0.000 1.249 369 Y HN 0.363 nan 8.280 nan 0.000 0.549 370 P HA 0.077 nan 4.420 nan 0.000 0.236 370 P C -0.841 176.199 177.300 -0.434 0.000 1.749 370 P CA -0.211 62.633 63.100 -0.427 0.000 0.994 370 P CB -0.355 31.169 31.700 -0.293 0.000 1.599 371 F N 1.739 121.360 119.950 -0.548 0.000 2.612 371 F HA 0.391 4.923 4.527 0.007 0.000 0.389 371 F C 1.621 177.022 175.800 -0.664 0.000 1.055 371 F CA 0.751 58.091 58.000 -1.100 0.000 1.232 371 F CB -0.468 37.777 39.000 -1.258 0.000 1.044 371 F HN 0.181 nan 8.300 nan 0.000 0.560 372 G N 2.247 110.842 108.800 -0.342 0.000 2.368 372 G HA2 0.297 4.258 3.960 0.001 0.000 0.293 372 G HA3 0.297 4.258 3.960 0.001 0.000 0.293 372 G C -0.543 174.427 174.900 0.117 0.000 1.467 372 G CA -0.959 44.127 45.100 -0.023 0.000 0.804 372 G HN 0.546 nan 8.290 nan 0.000 0.535 373 L N 0.147 121.421 121.223 0.085 0.000 2.201 373 L HA 0.046 4.386 4.340 0.001 0.000 0.212 373 L C 2.663 179.581 176.870 0.080 0.000 1.105 373 L CA 2.332 57.215 54.840 0.073 0.000 0.775 373 L CB -0.366 41.728 42.059 0.057 0.000 0.913 373 L HN 0.653 nan 8.230 nan 0.000 0.440 374 Q N -0.354 119.478 119.800 0.054 0.000 2.234 374 Q HA -0.164 4.177 4.340 0.001 0.000 0.206 374 Q C 2.018 178.045 176.000 0.045 0.000 0.980 374 Q CA 1.670 57.497 55.803 0.040 0.000 0.869 374 Q CB -0.451 28.296 28.738 0.015 0.000 0.912 374 Q HN 0.624 nan 8.270 nan 0.000 0.436 375 L N -0.723 120.535 121.223 0.059 0.000 2.265 375 L HA -0.152 4.189 4.340 0.001 0.000 0.215 375 L C 1.327 178.257 176.870 0.101 0.000 1.117 375 L CA 0.378 55.258 54.840 0.067 0.000 0.782 375 L CB -0.225 41.886 42.059 0.087 0.000 0.914 375 L HN 0.238 nan 8.230 nan 0.000 0.441 376 L N -1.328 119.974 121.223 0.131 0.000 2.416 376 L HA 0.022 4.363 4.340 0.001 0.000 0.216 376 L C 1.849 178.775 176.870 0.094 0.000 1.098 376 L CA 1.028 55.948 54.840 0.133 0.000 0.840 376 L CB -0.091 42.064 42.059 0.161 0.000 0.981 376 L HN 0.120 nan 8.230 nan 0.000 0.462 377 L N -1.516 119.752 121.223 0.075 0.000 2.616 377 L HA 0.174 4.515 4.340 0.001 0.000 0.229 377 L C 1.216 178.111 176.870 0.041 0.000 1.110 377 L CA -0.178 54.697 54.840 0.059 0.000 0.884 377 L CB -0.132 41.961 42.059 0.058 0.000 1.115 377 L HN 0.104 nan 8.230 nan 0.000 0.481 378 R N 0.000 120.521 120.500 0.035 0.000 2.786 378 R HA 0.000 4.341 4.340 0.001 0.000 0.208 378 R CA 0.000 56.113 56.100 0.022 0.000 0.921 378 R CB 0.000 30.309 30.300 0.015 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535