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 1k0e_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLSPAVITLL WRQDAAEFYF SRLSHLPWAM LLHSGYADHP YSRFDIVVAE DATA SEQUENCE PICTLTTFGK ETVVSESEKR TTTTDDPLQV LQQVLDRADI RPTHNEDLPF DATA SEQUENCE QGGALGLFGY DLGRRFESLP EIAEQDIVLP DMAVGIYDWA LIVDHQRHTV DATA SEQUENCE SLLSHNDVNA RRAWLESQQF SPQEDFTLTS DWQSNMTREQ YGEKFRQVQE DATA SEQUENCE YLHSGDCYQV NLAQRFHATY SGDEWQAFLQ LNQANRAPFS AFLRLEQGAI DATA SEQUENCE LSLSPERFIL CDNSEIQTRP IKGTLPRXXX XXXXXXXXXX XANSAKDRAE DATA SEQUENCE NLMIVDLMRN DIGRVAVAGS VKVPELFVVE PFPAVHHLVS TITAQLPEQL DATA SEQUENCE HASDLLRAAF PGGSITGAPK VRAMEIIDEL EPQRRNAWCG SIGYLSFCGN DATA SEQUENCE MDTSITIRTL TAINGQIFCS AGGGIVADSQ EEAEYQETFD KVNRILKQLE DATA SEQUENCE K 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.707 174.700 0.012 0.000 1.109 3 T CA 0.000 62.090 62.100 -0.016 0.000 1.349 3 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 4 L N 2.206 123.436 121.223 0.012 0.000 2.780 4 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 4 L C 1.209 178.113 176.870 0.057 0.000 1.153 4 L CA 0.147 55.002 54.840 0.023 0.000 0.993 4 L CB -0.869 41.198 42.059 0.014 0.000 1.319 4 L HN 0.542 nan 8.230 nan 0.000 0.479 5 S N 4.791 120.515 115.700 0.040 0.000 2.563 5 S HA 0.123 4.593 4.470 -0.000 0.000 0.269 5 S C -1.585 173.003 174.600 -0.020 0.000 1.364 5 S CA -0.616 57.607 58.200 0.038 0.000 1.010 5 S CB 0.056 63.262 63.200 0.010 0.000 0.877 5 S HN 0.580 nan 8.310 nan 0.000 0.549 6 P HA 0.331 nan 4.420 nan 0.000 0.276 6 P C -1.271 175.928 177.300 -0.169 0.000 1.252 6 P CA -0.569 62.319 63.100 -0.353 0.000 0.802 6 P CB 0.500 31.733 31.700 -0.779 0.000 1.035 7 A N 1.289 124.024 122.820 -0.141 0.000 2.354 7 A HA 0.497 4.817 4.320 -0.000 0.000 0.269 7 A C -0.241 177.305 177.584 -0.064 0.000 1.109 7 A CA -0.304 51.689 52.037 -0.073 0.000 0.800 7 A CB 0.041 19.012 19.000 -0.048 0.000 1.045 7 A HN 0.355 nan 8.150 nan 0.000 0.489 8 V N 3.402 123.295 119.914 -0.035 0.000 2.656 8 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 8 V C -0.388 175.708 176.094 0.003 0.000 1.051 8 V CA -0.285 62.005 62.300 -0.016 0.000 0.893 8 V CB 1.771 33.587 31.823 -0.011 0.000 0.999 8 V HN 0.764 nan 8.190 nan 0.000 0.426 9 I N 2.818 123.397 120.570 0.015 0.000 2.406 9 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 9 I C 0.249 176.392 176.117 0.043 0.000 0.999 9 I CA -0.317 60.998 61.300 0.026 0.000 1.124 9 I CB 2.194 40.208 38.000 0.024 0.000 1.289 9 I HN 0.641 nan 8.210 nan 0.000 0.441 10 T N 6.306 120.893 114.554 0.054 0.000 2.889 10 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 10 T C -0.474 174.283 174.700 0.094 0.000 0.995 10 T CA -0.326 61.822 62.100 0.079 0.000 1.092 10 T CB 0.538 69.453 68.868 0.078 0.000 0.954 10 T HN 0.205 nan 8.240 nan 0.000 0.506 11 L N 4.157 125.453 121.223 0.122 0.000 2.332 11 L HA 0.533 4.873 4.340 -0.000 0.000 0.269 11 L C -0.111 176.874 176.870 0.191 0.000 1.016 11 L CA -1.100 53.826 54.840 0.143 0.000 0.809 11 L CB 1.171 43.301 42.059 0.119 0.000 1.280 11 L HN 0.566 nan 8.230 nan 0.000 0.447 12 L N 2.146 123.482 121.223 0.188 0.000 2.601 12 L HA -0.154 4.186 4.340 -0.000 0.000 0.277 12 L C -0.018 176.981 176.870 0.216 0.000 1.219 12 L CA 0.707 55.653 54.840 0.177 0.000 0.915 12 L CB -0.328 41.803 42.059 0.121 0.000 1.160 12 L HN 0.645 nan 8.230 nan 0.000 0.494 13 W N 7.360 128.700 121.300 0.066 0.000 2.181 13 W HA 0.260 4.924 4.660 0.007 0.000 0.335 13 W C -0.320 176.220 176.519 0.035 0.000 1.310 13 W CA -0.485 56.901 57.345 0.069 0.000 1.226 13 W CB 0.576 30.079 29.460 0.071 0.000 1.155 13 W HN 0.646 nan 8.180 nan 0.000 0.565 14 R N 4.014 123.789 120.500 -1.209 0.000 2.561 14 R HA 0.081 4.421 4.340 -0.000 0.000 0.266 14 R C 0.166 175.767 176.300 -1.166 0.000 1.091 14 R CA -0.791 54.759 56.100 -0.917 0.000 0.927 14 R CB 1.367 31.352 30.300 -0.524 0.000 1.240 14 R HN 0.492 nan 8.270 nan 0.000 0.449 15 Q N 1.400 120.852 119.800 -0.580 0.000 2.096 15 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 15 Q C 0.762 176.771 176.000 0.016 0.000 0.982 15 Q CA 2.569 58.284 55.803 -0.147 0.000 0.850 15 Q CB 0.017 28.833 28.738 0.130 0.000 0.901 15 Q HN 0.771 nan 8.270 nan 0.000 0.422 16 D N -1.056 119.337 120.400 -0.012 0.000 2.538 16 D HA 0.113 4.753 4.640 -0.000 0.000 0.234 16 D C 0.857 177.263 176.300 0.177 0.000 1.191 16 D CA 0.584 54.708 54.000 0.207 0.000 0.828 16 D CB -0.073 40.809 40.800 0.137 0.000 0.981 16 D HN 0.337 nan 8.370 nan 0.000 0.490 17 A N 0.532 123.368 122.820 0.027 0.000 2.019 17 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 17 A C 2.329 180.187 177.584 0.457 0.000 1.164 17 A CA 1.521 53.675 52.037 0.195 0.000 0.644 17 A CB -0.552 18.534 19.000 0.143 0.000 0.805 17 A HN 0.420 nan 8.150 nan 0.000 0.449 18 A N 0.027 123.068 122.820 0.367 0.000 1.845 18 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 18 A C 1.945 179.844 177.584 0.524 0.000 1.195 18 A CA 1.696 53.979 52.037 0.411 0.000 0.616 18 A CB -0.625 18.567 19.000 0.321 0.000 0.832 18 A HN 0.606 nan 8.150 nan 0.000 0.443 19 E N -1.477 119.059 120.200 0.559 0.000 2.077 19 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 19 E C 1.759 178.640 176.600 0.469 0.000 0.989 19 E CA 1.189 57.952 56.400 0.605 0.000 0.800 19 E CB -0.280 29.691 29.700 0.453 0.000 0.746 19 E HN 0.663 nan 8.360 nan 0.000 0.452 20 F N 0.848 120.899 119.950 0.169 0.000 2.010 20 F HA -0.301 4.227 4.527 0.001 0.000 0.296 20 F C 1.917 177.682 175.800 -0.058 0.000 1.146 20 F CA 1.754 59.720 58.000 -0.056 0.000 1.181 20 F CB -0.602 38.253 39.000 -0.241 0.000 0.965 20 F HN -0.014 nan 8.300 nan 0.000 0.480 21 Y N -1.380 119.017 120.300 0.161 0.000 2.352 21 Y HA -0.147 4.402 4.550 -0.001 0.000 0.292 21 Y C 2.253 178.162 175.900 0.015 0.000 1.136 21 Y CA 1.357 59.446 58.100 -0.019 0.000 1.227 21 Y CB -0.965 37.605 38.460 0.182 0.000 0.991 21 Y HN 0.211 nan 8.280 nan 0.000 0.545 22 F N 0.371 120.402 119.950 0.136 0.000 2.186 22 F HA -0.187 4.341 4.527 0.000 0.000 0.299 22 F C 2.370 177.994 175.800 -0.294 0.000 1.090 22 F CA 1.300 59.265 58.000 -0.058 0.000 1.307 22 F CB -0.484 38.463 39.000 -0.088 0.000 1.019 22 F HN -0.172 nan 8.300 nan 0.000 0.489 23 S N 0.675 116.324 115.700 -0.085 0.000 2.441 23 S HA -0.221 4.249 4.470 -0.000 0.000 0.242 23 S C 1.753 176.318 174.600 -0.057 0.000 1.018 23 S CA 1.341 59.454 58.200 -0.145 0.000 0.988 23 S CB -0.475 62.718 63.200 -0.011 0.000 0.778 23 S HN 0.469 nan 8.310 nan 0.000 0.498 24 R N 0.512 120.920 120.500 -0.152 0.000 2.317 24 R HA 0.238 4.578 4.340 -0.000 0.000 0.208 24 R C 1.247 177.386 176.300 -0.267 0.000 0.914 24 R CA 0.292 56.317 56.100 -0.124 0.000 1.060 24 R CB -0.281 29.930 30.300 -0.147 0.000 1.015 24 R HN 0.403 nan 8.270 nan 0.000 0.498 25 L N 1.130 122.064 121.223 -0.482 0.000 2.515 25 L HA 0.075 4.415 4.340 -0.000 0.000 0.223 25 L C 2.165 178.617 176.870 -0.697 0.000 1.079 25 L CA 0.522 55.057 54.840 -0.509 0.000 0.857 25 L CB -0.102 41.643 42.059 -0.522 0.000 1.050 25 L HN 0.145 nan 8.230 nan 0.000 0.476 26 S N -1.148 113.894 115.700 -1.096 0.000 2.461 26 S HA -0.294 4.176 4.470 -0.000 0.000 0.246 26 S C 1.678 176.166 174.600 -0.187 0.000 1.007 26 S CA 1.367 59.034 58.200 -0.889 0.000 0.976 26 S CB -0.667 61.742 63.200 -1.319 0.000 0.763 26 S HN 0.527 nan 8.310 nan 0.000 0.508 27 H N -0.088 118.851 119.070 -0.219 0.000 2.586 27 H HA 0.412 4.968 4.556 -0.000 0.000 0.273 27 H C -0.134 175.191 175.328 -0.005 0.000 0.997 27 H CA -0.288 55.730 56.048 -0.049 0.000 1.177 27 H CB 0.190 29.916 29.762 -0.060 0.000 1.471 27 H HN 0.371 nan 8.280 nan 0.000 0.538 28 L N 3.157 124.391 121.223 0.019 0.000 2.319 28 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 28 L C -2.178 174.735 176.870 0.071 0.000 1.099 28 L CA -1.821 53.060 54.840 0.069 0.000 0.828 28 L CB 0.939 43.080 42.059 0.138 0.000 1.150 28 L HN -0.034 nan 8.230 nan 0.000 0.442 29 P HA -0.099 nan 4.420 nan 0.000 0.265 29 P C -0.740 176.630 177.300 0.116 0.000 1.187 29 P CA 0.399 63.476 63.100 -0.038 0.000 0.766 29 P CB 0.167 31.860 31.700 -0.011 0.000 0.820 30 W N -0.236 121.133 121.300 0.116 0.000 2.560 30 W HA -0.228 4.432 4.660 -0.000 0.000 0.279 30 W C 0.230 176.886 176.519 0.229 0.000 1.090 30 W CA 0.309 57.758 57.345 0.173 0.000 0.535 30 W CB -2.318 27.248 29.460 0.176 0.000 2.121 30 W HN 0.361 nan 8.180 nan 0.000 1.314 31 A N 1.011 124.017 122.820 0.311 0.000 2.362 31 A HA 0.757 5.077 4.320 -0.000 0.000 0.276 31 A C 0.099 177.911 177.584 0.380 0.000 1.153 31 A CA 0.212 52.428 52.037 0.298 0.000 0.813 31 A CB 0.297 19.369 19.000 0.119 0.000 1.081 31 A HN 0.209 nan 8.150 nan 0.000 0.507 32 M N 2.450 122.248 119.600 0.329 0.000 2.386 32 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 32 M C -1.274 174.942 176.300 -0.140 0.000 1.120 32 M CA -0.580 54.786 55.300 0.110 0.000 0.909 32 M CB 2.244 34.825 32.600 -0.030 0.000 1.661 32 M HN 0.618 nan 8.290 nan 0.000 0.452 33 L N 4.089 125.039 121.223 -0.454 0.000 2.385 33 L HA 0.715 5.055 4.340 -0.000 0.000 0.273 33 L C -2.003 174.727 176.870 -0.232 0.000 0.990 33 L CA -0.302 54.199 54.840 -0.564 0.000 0.821 33 L CB 1.643 42.995 42.059 -1.179 0.000 1.279 33 L HN 0.705 nan 8.230 nan 0.000 0.412 34 L N 5.145 126.291 121.223 -0.128 0.000 2.305 34 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 34 L C -0.997 175.895 176.870 0.037 0.000 1.013 34 L CA -0.569 54.262 54.840 -0.014 0.000 0.819 34 L CB 1.298 43.355 42.059 -0.003 0.000 1.227 34 L HN 0.695 nan 8.230 nan 0.000 0.417 35 H N 0.885 119.962 119.070 0.013 0.000 2.589 35 H HA 0.272 4.829 4.556 0.000 0.000 0.351 35 H C 0.191 175.475 175.328 -0.074 0.000 1.074 35 H CA -0.312 55.733 56.048 -0.005 0.000 1.203 35 H CB 1.984 31.790 29.762 0.074 0.000 1.558 35 H HN 0.530 nan 8.280 nan 0.000 0.522 36 S N 3.143 118.709 115.700 -0.223 0.000 2.754 36 S HA 0.108 4.578 4.470 -0.000 0.000 0.223 36 S C 1.456 176.006 174.600 -0.084 0.000 0.951 36 S CA 0.638 58.725 58.200 -0.187 0.000 0.954 36 S CB -0.217 62.849 63.200 -0.223 0.000 0.780 36 S HN 1.034 nan 8.310 nan 0.000 0.509 37 G N 1.210 110.096 108.800 0.143 0.000 2.203 37 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 37 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 37 G C 0.153 175.072 174.900 0.031 0.000 1.012 37 G CA 0.128 45.258 45.100 0.050 0.000 0.749 37 G HN 0.529 nan 8.290 nan 0.000 0.512 38 Y N -3.184 117.166 120.300 0.083 0.000 3.396 38 Y HA -0.155 4.394 4.550 -0.001 0.000 0.214 38 Y C 1.477 177.350 175.900 -0.045 0.000 1.203 38 Y CA 0.933 59.012 58.100 -0.036 0.000 1.401 38 Y CB -2.035 36.435 38.460 0.017 0.000 1.409 38 Y HN 1.480 nan 8.280 nan 0.000 0.594 39 A N -0.145 122.696 122.820 0.036 0.000 2.293 39 A HA 0.544 4.864 4.320 -0.000 0.000 0.302 39 A C 0.007 177.629 177.584 0.062 0.000 1.119 39 A CA -0.360 51.721 52.037 0.073 0.000 0.823 39 A CB 0.603 19.668 19.000 0.108 0.000 1.097 39 A HN 0.210 nan 8.150 nan 0.000 0.491 40 D N 0.911 121.351 120.400 0.067 0.000 2.422 40 D HA 0.364 5.004 4.640 -0.000 0.000 0.227 40 D C -0.418 175.950 176.300 0.113 0.000 1.190 40 D CA 0.960 54.984 54.000 0.039 0.000 0.905 40 D CB -0.354 40.438 40.800 -0.014 0.000 1.034 40 D HN 0.525 nan 8.370 nan 0.000 0.507 41 H N 3.074 122.126 119.070 -0.029 0.000 3.060 41 H HA 0.154 4.710 4.556 0.000 0.000 0.330 41 H C -2.262 173.020 175.328 -0.077 0.000 1.305 41 H CA -0.910 55.133 56.048 -0.009 0.000 1.209 41 H CB 2.021 31.836 29.762 0.089 0.000 1.913 41 H HN 0.124 nan 8.280 nan 0.000 0.534 42 P HA -0.054 nan 4.420 nan 0.000 0.221 42 P C -0.013 177.102 177.300 -0.309 0.000 1.150 42 P CA 1.148 64.013 63.100 -0.391 0.000 0.800 42 P CB 0.334 31.520 31.700 -0.857 0.000 0.787 43 Y N 0.183 120.800 120.300 0.528 0.000 2.557 43 Y HA 0.287 4.837 4.550 0.001 0.000 0.352 43 Y C 1.003 176.934 175.900 0.051 0.000 0.918 43 Y CA -0.842 57.446 58.100 0.314 0.000 1.232 43 Y CB -0.065 38.683 38.460 0.479 0.000 1.235 43 Y HN -0.018 nan 8.280 nan 0.000 0.596 44 S N -1.760 114.026 115.700 0.143 0.000 2.902 44 S HA 0.198 4.668 4.470 -0.000 0.000 0.250 44 S C 1.478 176.036 174.600 -0.069 0.000 1.046 44 S CA -0.606 57.572 58.200 -0.036 0.000 1.069 44 S CB 0.200 63.398 63.200 -0.003 0.000 0.967 44 S HN 0.463 nan 8.310 nan 0.000 0.530 45 R N 0.465 120.922 120.500 -0.071 0.000 2.081 45 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 45 R C -0.656 175.449 176.300 -0.324 0.000 1.131 45 R CA 1.468 57.398 56.100 -0.283 0.000 0.960 45 R CB 0.040 29.987 30.300 -0.588 0.000 0.856 45 R HN 0.472 nan 8.270 nan 0.000 0.436 46 F N -0.165 119.847 119.950 0.103 0.000 2.593 46 F HA 0.409 4.937 4.527 0.001 0.000 0.320 46 F C -0.648 175.149 175.800 -0.005 0.000 1.060 46 F CA -1.217 56.837 58.000 0.090 0.000 0.940 46 F CB 1.803 40.833 39.000 0.049 0.000 1.268 46 F HN -0.135 nan 8.300 nan 0.000 0.475 47 D N 2.020 122.559 120.400 0.231 0.000 2.619 47 D HA 0.615 5.255 4.640 -0.000 0.000 0.241 47 D C -0.886 175.440 176.300 0.044 0.000 1.087 47 D CA -0.091 53.914 54.000 0.007 0.000 0.851 47 D CB 2.933 43.638 40.800 -0.158 0.000 1.474 47 D HN 0.298 nan 8.370 nan 0.000 0.478 48 I N 1.082 121.631 120.570 -0.034 0.000 2.533 48 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 48 I C -0.733 175.305 176.117 -0.131 0.000 1.056 48 I CA -0.922 60.320 61.300 -0.098 0.000 1.057 48 I CB 2.528 40.391 38.000 -0.228 0.000 1.240 48 I HN -0.058 nan 8.210 nan 0.000 0.423 49 V N 6.505 126.358 119.914 -0.102 0.000 2.680 49 V HA 0.700 4.820 4.120 -0.000 0.000 0.309 49 V C -0.397 175.509 176.094 -0.312 0.000 1.052 49 V CA -0.563 61.687 62.300 -0.084 0.000 0.908 49 V CB 2.322 34.244 31.823 0.164 0.000 1.001 49 V HN 0.537 nan 8.190 nan 0.000 0.431 50 V N 1.229 120.887 119.914 -0.426 0.000 3.159 50 V HA 1.124 5.244 4.120 -0.000 0.000 0.308 50 V C -0.492 175.330 176.094 -0.453 0.000 1.190 50 V CA -0.485 61.259 62.300 -0.926 0.000 1.037 50 V CB 1.591 32.492 31.823 -1.537 0.000 1.060 50 V HN 1.701 nan 8.190 nan 0.000 0.437 51 A N 0.066 122.698 122.820 -0.314 0.000 2.522 51 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 51 A C -0.317 177.602 177.584 0.559 0.000 1.039 51 A CA 0.107 52.336 52.037 0.320 0.000 0.643 51 A CB 0.783 20.065 19.000 0.470 0.000 1.310 51 A HN 1.540 nan 8.150 nan 0.000 0.436 52 E N -0.507 119.980 120.200 0.478 0.000 2.246 52 E HA -0.126 4.224 4.350 -0.000 0.000 0.211 52 E C -2.282 174.468 176.600 0.250 0.000 1.278 52 E CA 0.971 57.554 56.400 0.306 0.000 0.694 52 E CB -1.272 28.489 29.700 0.102 0.000 1.166 52 E HN 0.527 nan 8.360 nan 0.000 0.370 53 P HA 0.065 nan 4.420 nan 0.000 0.274 53 P C 1.137 178.290 177.300 -0.245 0.000 1.231 53 P CA -0.121 62.751 63.100 -0.381 0.000 0.790 53 P CB 0.448 31.619 31.700 -0.881 0.000 0.951 54 I N -1.442 119.003 120.570 -0.208 0.000 3.578 54 I HA 0.240 4.410 4.170 -0.000 0.000 0.295 54 I C 0.534 176.536 176.117 -0.192 0.000 1.280 54 I CA 0.145 61.364 61.300 -0.134 0.000 1.347 54 I CB -0.051 37.918 38.000 -0.051 0.000 1.051 54 I HN 0.124 nan 8.210 nan 0.000 0.460 55 C N 1.629 120.748 119.300 -0.301 0.000 2.985 55 C HA 0.694 5.154 4.460 -0.000 0.000 0.332 55 C C 0.001 174.715 174.990 -0.460 0.000 1.164 55 C CA 0.172 59.013 59.018 -0.295 0.000 1.347 55 C CB 1.276 28.901 27.740 -0.191 0.000 1.764 55 C HN 0.581 nan 8.230 nan 0.000 0.489 56 T N 2.690 116.949 114.554 -0.493 0.000 2.916 56 T HA 0.860 5.210 4.350 -0.000 0.000 0.292 56 T C -1.306 173.180 174.700 -0.357 0.000 1.064 56 T CA -0.690 60.995 62.100 -0.692 0.000 1.011 56 T CB 1.574 69.602 68.868 -1.401 0.000 1.152 56 T HN 0.572 nan 8.240 nan 0.000 0.510 57 L N 1.198 122.290 121.223 -0.220 0.000 2.409 57 L HA 0.630 4.970 4.340 -0.000 0.000 0.272 57 L C -0.224 176.671 176.870 0.042 0.000 0.980 57 L CA -0.401 54.399 54.840 -0.067 0.000 0.826 57 L CB 2.566 44.593 42.059 -0.053 0.000 1.268 57 L HN 0.906 nan 8.230 nan 0.000 0.407 58 T N 1.066 115.656 114.554 0.060 0.000 2.847 58 T HA 0.520 4.870 4.350 -0.000 0.000 0.291 58 T C -0.359 174.334 174.700 -0.012 0.000 0.998 58 T CA -0.496 61.640 62.100 0.060 0.000 0.967 58 T CB 1.237 70.204 68.868 0.164 0.000 0.954 58 T HN 0.434 nan 8.240 nan 0.000 0.441 59 T N 3.826 118.311 114.554 -0.116 0.000 2.771 59 T HA 0.578 4.928 4.350 -0.000 0.000 0.281 59 T C -0.888 173.688 174.700 -0.207 0.000 0.982 59 T CA -0.353 61.691 62.100 -0.095 0.000 0.978 59 T CB 0.258 69.072 68.868 -0.090 0.000 0.930 59 T HN 0.346 nan 8.240 nan 0.000 0.447 60 F N 2.571 122.520 119.950 -0.003 0.000 2.445 60 F HA 0.548 5.075 4.527 0.000 0.000 0.348 60 F C 1.190 176.980 175.800 -0.016 0.000 1.125 60 F CA -0.002 57.995 58.000 -0.006 0.000 0.983 60 F CB 1.131 40.132 39.000 0.002 0.000 1.198 60 F HN 0.902 nan 8.300 nan 0.000 0.436 61 G N 3.819 112.694 108.800 0.126 0.000 2.611 61 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.301 61 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.301 61 G C 0.930 175.841 174.900 0.019 0.000 1.233 61 G CA 0.502 45.637 45.100 0.058 0.000 0.993 61 G HN 0.558 nan 8.290 nan 0.000 0.553 62 K N 1.554 121.968 120.400 0.024 0.000 2.555 62 K HA 0.289 4.609 4.320 -0.000 0.000 0.193 62 K C 1.010 177.623 176.600 0.022 0.000 1.032 62 K CA 1.204 57.497 56.287 0.011 0.000 1.004 62 K CB 0.268 32.775 32.500 0.012 0.000 0.804 62 K HN 0.593 nan 8.250 nan 0.000 0.496 63 E N -0.068 120.159 120.200 0.045 0.000 2.248 63 E HA 0.248 4.598 4.350 -0.000 0.000 0.267 63 E C -1.152 175.482 176.600 0.058 0.000 0.877 63 E CA -0.527 55.903 56.400 0.050 0.000 0.759 63 E CB 1.468 31.205 29.700 0.063 0.000 1.182 63 E HN -0.117 nan 8.360 nan 0.000 0.418 64 T N 2.589 117.168 114.554 0.041 0.000 2.807 64 T HA 0.371 4.721 4.350 -0.000 0.000 0.279 64 T C -0.852 173.871 174.700 0.039 0.000 0.993 64 T CA -0.539 61.582 62.100 0.035 0.000 0.970 64 T CB 1.288 70.166 68.868 0.017 0.000 0.950 64 T HN 0.213 nan 8.240 nan 0.000 0.441 65 V N 4.124 124.068 119.914 0.050 0.000 2.370 65 V HA 0.414 4.534 4.120 -0.000 0.000 0.283 65 V C -0.155 175.945 176.094 0.011 0.000 1.023 65 V CA -0.701 61.625 62.300 0.043 0.000 0.857 65 V CB 1.583 33.452 31.823 0.076 0.000 0.985 65 V HN 0.703 nan 8.190 nan 0.000 0.443 66 V N 4.141 124.049 119.914 -0.010 0.000 2.347 66 V HA 0.531 4.651 4.120 -0.000 0.000 0.280 66 V C 0.144 176.206 176.094 -0.053 0.000 1.021 66 V CA -0.083 62.191 62.300 -0.042 0.000 0.847 66 V CB 1.536 33.338 31.823 -0.036 0.000 0.990 66 V HN 0.832 nan 8.190 nan 0.000 0.444 67 S N 4.366 120.009 115.700 -0.096 0.000 2.594 67 S HA 0.698 5.168 4.470 -0.000 0.000 0.296 67 S C -0.715 173.808 174.600 -0.128 0.000 1.124 67 S CA -0.590 57.554 58.200 -0.094 0.000 1.011 67 S CB 1.161 64.312 63.200 -0.081 0.000 1.016 67 S HN 0.860 nan 8.310 nan 0.000 0.485 68 E N 1.273 121.420 120.200 -0.088 0.000 2.450 68 E HA 0.397 4.747 4.350 -0.000 0.000 0.272 68 E C 1.045 177.609 176.600 -0.059 0.000 0.967 68 E CA -0.843 55.503 56.400 -0.089 0.000 0.818 68 E CB 0.879 30.534 29.700 -0.075 0.000 1.401 68 E HN 0.552 nan 8.360 nan 0.000 0.450 69 S N 0.934 116.602 115.700 -0.052 0.000 2.420 69 S HA -0.358 4.112 4.470 -0.000 0.000 0.278 69 S C 1.162 175.749 174.600 -0.021 0.000 1.111 69 S CA 2.025 60.205 58.200 -0.033 0.000 1.315 69 S CB -0.555 62.627 63.200 -0.030 0.000 1.226 69 S HN 0.626 nan 8.310 nan 0.000 0.444 70 E N 1.159 121.345 120.200 -0.023 0.000 2.548 70 E HA 0.190 4.540 4.350 -0.000 0.000 0.206 70 E C -0.598 175.992 176.600 -0.017 0.000 1.005 70 E CA -0.120 56.271 56.400 -0.016 0.000 0.951 70 E CB 0.377 30.068 29.700 -0.015 0.000 1.035 70 E HN 0.529 nan 8.360 nan 0.000 0.470 71 K N 0.827 121.213 120.400 -0.023 0.000 2.542 71 K HA 0.451 4.771 4.320 -0.000 0.000 0.259 71 K C -0.892 175.694 176.600 -0.023 0.000 0.932 71 K CA -0.728 55.547 56.287 -0.020 0.000 0.820 71 K CB 2.524 35.012 32.500 -0.021 0.000 1.345 71 K HN -0.106 nan 8.250 nan 0.000 0.432 72 R N 1.068 121.559 120.500 -0.014 0.000 2.502 72 R HA 0.409 4.749 4.340 -0.000 0.000 0.300 72 R C -1.105 175.191 176.300 -0.006 0.000 0.984 72 R CA -0.167 55.927 56.100 -0.011 0.000 0.882 72 R CB 1.488 31.787 30.300 -0.001 0.000 1.180 72 R HN 0.904 nan 8.270 nan 0.000 0.444 73 T N 0.137 114.687 114.554 -0.007 0.000 2.924 73 T HA 0.617 4.967 4.350 -0.000 0.000 0.291 73 T C -0.037 174.667 174.700 0.006 0.000 1.045 73 T CA -0.708 61.390 62.100 -0.002 0.000 1.015 73 T CB 1.896 70.760 68.868 -0.006 0.000 1.103 73 T HN 0.590 nan 8.240 nan 0.000 0.496 74 T N -1.791 112.769 114.554 0.010 0.000 2.930 74 T HA 0.805 5.155 4.350 -0.000 0.000 0.290 74 T C -0.509 174.200 174.700 0.014 0.000 1.052 74 T CA -0.831 61.280 62.100 0.017 0.000 1.017 74 T CB 1.837 70.719 68.868 0.024 0.000 1.137 74 T HN 1.053 nan 8.240 nan 0.000 0.511 75 T N -0.356 114.208 114.554 0.018 0.000 3.047 75 T HA 0.464 4.814 4.350 -0.000 0.000 0.340 75 T C 0.593 175.304 174.700 0.018 0.000 1.421 75 T CA -0.007 62.102 62.100 0.015 0.000 1.090 75 T CB 1.364 70.239 68.868 0.011 0.000 1.292 75 T HN 0.990 nan 8.240 nan 0.000 0.480 76 T N 0.225 114.789 114.554 0.016 0.000 3.086 76 T HA 0.261 4.611 4.350 -0.000 0.000 0.250 76 T C 0.319 175.030 174.700 0.017 0.000 1.074 76 T CA -0.246 61.863 62.100 0.016 0.000 0.988 76 T CB -0.170 68.706 68.868 0.014 0.000 0.988 76 T HN 0.556 nan 8.240 nan 0.000 0.530 77 D N 2.849 123.260 120.400 0.019 0.000 2.362 77 D HA 0.028 4.668 4.640 -0.000 0.000 0.238 77 D C 0.281 176.603 176.300 0.037 0.000 1.212 77 D CA -0.105 53.910 54.000 0.025 0.000 0.902 77 D CB 0.281 41.093 40.800 0.021 0.000 1.180 77 D HN 0.314 nan 8.370 nan 0.000 0.445 78 D N 0.877 121.309 120.400 0.054 0.000 2.793 78 D HA -0.111 4.529 4.640 -0.000 0.000 0.230 78 D C -1.628 174.731 176.300 0.097 0.000 1.139 78 D CA -0.751 53.308 54.000 0.098 0.000 0.838 78 D CB 0.953 41.816 40.800 0.105 0.000 1.149 78 D HN 0.012 nan 8.370 nan 0.000 0.526 79 P HA -0.094 nan 4.420 nan 0.000 0.218 79 P C 1.484 178.850 177.300 0.109 0.000 1.149 79 P CA 0.820 63.973 63.100 0.089 0.000 0.817 79 P CB 0.196 31.933 31.700 0.061 0.000 0.785 80 L N -0.922 120.384 121.223 0.139 0.000 2.240 80 L HA -0.086 4.254 4.340 -0.000 0.000 0.211 80 L C 2.751 179.626 176.870 0.008 0.000 1.106 80 L CA 1.032 55.904 54.840 0.053 0.000 0.793 80 L CB -0.863 41.172 42.059 -0.041 0.000 0.927 80 L HN 0.021 nan 8.230 nan 0.000 0.446 81 Q N 0.488 120.298 119.800 0.017 0.000 2.084 81 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 81 Q C 2.250 178.244 176.000 -0.010 0.000 0.978 81 Q CA 1.903 57.703 55.803 -0.005 0.000 0.844 81 Q CB 0.065 28.810 28.738 0.011 0.000 0.898 81 Q HN 0.343 nan 8.270 nan 0.000 0.426 82 V N 1.261 121.182 119.914 0.010 0.000 2.287 82 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 82 V C 2.381 178.471 176.094 -0.007 0.000 1.053 82 V CA 1.611 63.912 62.300 0.003 0.000 1.027 82 V CB -0.756 31.074 31.823 0.012 0.000 0.646 82 V HN 0.436 nan 8.190 nan 0.000 0.447 83 L N 0.165 121.391 121.223 0.006 0.000 2.042 83 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 83 L C 2.383 179.233 176.870 -0.033 0.000 1.076 83 L CA 2.212 57.052 54.840 0.001 0.000 0.749 83 L CB -0.869 41.222 42.059 0.053 0.000 0.893 83 L HN 0.362 nan 8.230 nan 0.000 0.432 84 Q N -0.676 119.086 119.800 -0.064 0.000 2.172 84 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 84 Q C 2.209 178.143 176.000 -0.110 0.000 0.964 84 Q CA 1.673 57.392 55.803 -0.140 0.000 0.855 84 Q CB -0.114 28.492 28.738 -0.220 0.000 0.918 84 Q HN 0.685 nan 8.270 nan 0.000 0.444 85 Q N -1.077 118.684 119.800 -0.064 0.000 2.046 85 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 85 Q C 2.089 178.074 176.000 -0.025 0.000 0.975 85 Q CA 1.615 57.393 55.803 -0.042 0.000 0.836 85 Q CB -0.085 28.639 28.738 -0.024 0.000 0.896 85 Q HN 0.217 nan 8.270 nan 0.000 0.428 86 V N 1.447 121.349 119.914 -0.021 0.000 2.250 86 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 86 V C 2.251 178.361 176.094 0.026 0.000 1.060 86 V CA 1.819 64.112 62.300 -0.011 0.000 1.030 86 V CB -0.682 31.125 31.823 -0.027 0.000 0.643 86 V HN 0.368 nan 8.190 nan 0.000 0.445 87 L N -0.126 121.109 121.223 0.020 0.000 1.990 87 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 87 L C 2.466 179.413 176.870 0.128 0.000 1.072 87 L CA 2.046 56.940 54.840 0.091 0.000 0.755 87 L CB -0.841 41.211 42.059 -0.013 0.000 0.889 87 L HN 0.394 nan 8.230 nan 0.000 0.432 88 D N -0.507 119.909 120.400 0.027 0.000 2.144 88 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 88 D C 2.178 178.483 176.300 0.009 0.000 0.978 88 D CA 0.833 54.848 54.000 0.024 0.000 0.833 88 D CB -0.347 40.452 40.800 -0.002 0.000 0.961 88 D HN 0.297 nan 8.370 nan 0.000 0.470 89 R N 1.451 121.953 120.500 0.003 0.000 2.316 89 R HA 0.091 4.431 4.340 -0.000 0.000 0.202 89 R C 1.453 177.734 176.300 -0.032 0.000 1.029 89 R CA 0.734 56.825 56.100 -0.015 0.000 1.018 89 R CB -0.222 30.069 30.300 -0.016 0.000 0.888 89 R HN 0.017 nan 8.270 nan 0.000 0.471 90 A N 1.265 124.074 122.820 -0.019 0.000 2.168 90 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 90 A C -0.090 177.366 177.584 -0.213 0.000 1.152 90 A CA 0.806 52.782 52.037 -0.101 0.000 0.716 90 A CB -0.116 18.801 19.000 -0.138 0.000 0.794 90 A HN 0.489 nan 8.150 nan 0.000 0.465 91 D N -1.418 118.883 120.400 -0.166 0.000 2.708 91 D HA -0.154 4.486 4.640 -0.000 0.000 0.236 91 D C -0.448 175.695 176.300 -0.262 0.000 1.146 91 D CA 1.071 54.976 54.000 -0.158 0.000 0.662 91 D CB -1.555 39.179 40.800 -0.111 0.000 1.059 91 D HN 0.576 nan 8.370 nan 0.000 0.428 92 I N 0.238 120.551 120.570 -0.429 0.000 2.382 92 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 92 I C 0.383 176.252 176.117 -0.413 0.000 1.002 92 I CA -0.625 60.287 61.300 -0.647 0.000 1.135 92 I CB 1.492 38.609 38.000 -1.470 0.000 1.288 92 I HN -0.206 nan 8.210 nan 0.000 0.448 93 R N 7.022 127.395 120.500 -0.211 0.000 2.850 93 R HA 0.298 4.638 4.340 -0.000 0.000 0.266 93 R C -2.682 173.617 176.300 -0.003 0.000 1.782 93 R CA -1.251 54.817 56.100 -0.054 0.000 1.310 93 R CB 1.581 31.884 30.300 0.004 0.000 1.337 93 R HN 0.323 nan 8.270 nan 0.000 0.546 94 P HA 0.007 nan 4.420 nan 0.000 0.274 94 P C -0.137 177.211 177.300 0.080 0.000 1.231 94 P CA -0.225 62.923 63.100 0.080 0.000 0.790 94 P CB 1.202 32.988 31.700 0.142 0.000 0.951 95 T N -0.129 114.467 114.554 0.070 0.000 2.918 95 T HA 0.025 4.375 4.350 -0.000 0.000 0.302 95 T C 0.604 175.367 174.700 0.106 0.000 1.045 95 T CA -0.362 61.793 62.100 0.091 0.000 1.114 95 T CB -0.161 68.751 68.868 0.074 0.000 0.965 95 T HN 0.476 nan 8.240 nan 0.000 0.540 96 H N 3.430 122.525 119.070 0.042 0.000 3.092 96 H HA 0.018 4.573 4.556 -0.001 0.000 0.332 96 H C -0.352 175.001 175.328 0.042 0.000 1.029 96 H CA 0.725 56.800 56.048 0.045 0.000 1.376 96 H CB 0.297 30.086 29.762 0.045 0.000 1.329 96 H HN 0.753 nan 8.280 nan 0.000 0.598 97 N N 3.915 122.230 118.700 -0.642 0.000 2.571 97 N HA 0.003 4.743 4.740 -0.000 0.000 0.286 97 N C 0.022 175.327 175.510 -0.342 0.000 1.138 97 N CA -0.427 52.438 53.050 -0.309 0.000 0.859 97 N CB 1.109 39.512 38.487 -0.139 0.000 1.414 97 N HN 0.562 nan 8.380 nan 0.000 0.529 98 E N 0.905 121.014 120.200 -0.152 0.000 2.273 98 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 98 E C 0.206 176.854 176.600 0.080 0.000 1.002 98 E CA 1.300 57.715 56.400 0.025 0.000 0.828 98 E CB 0.258 30.042 29.700 0.140 0.000 0.747 98 E HN 0.549 nan 8.360 nan 0.000 0.491 99 D N -0.854 119.578 120.400 0.054 0.000 2.339 99 D HA 0.058 4.698 4.640 -0.000 0.000 0.217 99 D C -0.124 176.213 176.300 0.061 0.000 1.050 99 D CA 0.264 54.349 54.000 0.141 0.000 0.856 99 D CB 0.423 41.285 40.800 0.105 0.000 0.922 99 D HN 0.163 nan 8.370 nan 0.000 0.518 100 L N 1.912 123.078 121.223 -0.094 0.000 2.470 100 L HA 0.245 4.585 4.340 -0.000 0.000 0.253 100 L C -1.712 174.995 176.870 -0.271 0.000 1.163 100 L CA -1.246 53.480 54.840 -0.190 0.000 0.932 100 L CB 2.382 44.371 42.059 -0.116 0.000 1.213 100 L HN -0.274 nan 8.230 nan 0.000 0.485 101 P HA -0.153 nan 4.420 nan 0.000 0.221 101 P C 0.250 177.438 177.300 -0.187 0.000 1.150 101 P CA 0.913 63.867 63.100 -0.243 0.000 0.800 101 P CB 0.326 31.875 31.700 -0.251 0.000 0.787 102 F N 1.593 121.224 119.950 -0.531 0.000 2.426 102 F HA 0.346 4.873 4.527 -0.001 0.000 0.348 102 F C 0.335 175.994 175.800 -0.235 0.000 1.124 102 F CA -0.865 56.824 58.000 -0.518 0.000 1.008 102 F CB 1.281 39.784 39.000 -0.829 0.000 1.139 102 F HN -0.263 nan 8.300 nan 0.000 0.452 103 Q N 5.514 125.025 119.800 -0.483 0.000 2.490 103 Q HA 0.453 4.793 4.340 -0.000 0.000 0.397 103 Q C 0.219 176.086 176.000 -0.222 0.000 0.937 103 Q CA -0.298 55.350 55.803 -0.258 0.000 1.108 103 Q CB 0.939 29.674 28.738 -0.005 0.000 1.336 103 Q HN 1.042 nan 8.270 nan 0.000 0.410 104 G N -0.451 107.779 108.800 -0.950 0.000 2.730 104 G HA2 0.143 4.103 3.960 -0.000 0.000 0.686 104 G HA3 0.143 4.103 3.960 -0.000 0.000 0.686 104 G C -0.031 174.205 174.900 -1.107 0.000 1.343 104 G CA -0.426 44.304 45.100 -0.616 0.000 0.826 104 G HN 0.852 nan 8.290 nan 0.000 0.582 105 G N -1.042 107.280 108.800 -0.796 0.000 2.250 105 G HA2 0.601 4.561 3.960 -0.000 0.000 0.252 105 G HA3 0.601 4.561 3.960 -0.000 0.000 0.252 105 G C 0.142 174.961 174.900 -0.135 0.000 1.325 105 G CA 0.944 45.378 45.100 -1.111 0.000 1.091 105 G HN 2.680 nan 8.290 nan 0.000 0.476 106 A N -0.519 122.314 122.820 0.021 0.000 2.327 106 A HA 0.857 5.177 4.320 -0.000 0.000 0.283 106 A C -0.272 177.487 177.584 0.292 0.000 1.127 106 A CA 0.113 52.240 52.037 0.149 0.000 0.810 106 A CB 1.086 20.144 19.000 0.098 0.000 1.066 106 A HN 1.894 nan 8.150 nan 0.000 0.492 107 L N 1.720 123.093 121.223 0.250 0.000 2.513 107 L HA 0.725 5.065 4.340 -0.000 0.000 0.261 107 L C -0.018 176.923 176.870 0.117 0.000 0.945 107 L CA 0.551 55.459 54.840 0.114 0.000 0.848 107 L CB 2.094 44.048 42.059 -0.176 0.000 1.334 107 L HN 1.374 nan 8.230 nan 0.000 0.407 108 G N 2.711 111.503 108.800 -0.012 0.000 2.368 108 G HA2 0.227 4.187 3.960 -0.000 0.000 0.269 108 G HA3 0.227 4.187 3.960 -0.000 0.000 0.269 108 G C -2.476 172.267 174.900 -0.261 0.000 1.291 108 G CA -0.630 44.404 45.100 -0.110 0.000 0.903 108 G HN 0.621 nan 8.290 nan 0.000 0.483 109 L N 0.436 121.452 121.223 -0.345 0.000 2.275 109 L HA 0.841 5.181 4.340 -0.000 0.000 0.288 109 L C -1.212 175.309 176.870 -0.583 0.000 1.046 109 L CA -0.812 53.832 54.840 -0.326 0.000 0.805 109 L CB 0.574 42.520 42.059 -0.188 0.000 1.193 109 L HN 0.352 nan 8.230 nan 0.000 0.426 110 F N 4.461 124.397 119.950 -0.023 0.000 2.359 110 F HA 0.546 5.073 4.527 -0.000 0.000 0.369 110 F C 1.042 176.872 175.800 0.050 0.000 1.084 110 F CA -0.683 57.248 58.000 -0.115 0.000 1.096 110 F CB 1.038 39.841 39.000 -0.329 0.000 1.335 110 F HN 0.620 nan 8.300 nan 0.000 0.457 111 G N 0.947 109.836 108.800 0.149 0.000 2.483 111 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.248 111 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.248 111 G C 0.535 175.672 174.900 0.395 0.000 1.248 111 G CA -0.203 45.030 45.100 0.221 0.000 0.838 111 G HN 0.741 nan 8.290 nan 0.000 0.566 112 Y N 0.652 121.079 120.300 0.211 0.000 2.132 112 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 112 Y C 2.241 178.230 175.900 0.148 0.000 1.193 112 Y CA 2.591 60.760 58.100 0.115 0.000 1.157 112 Y CB 0.262 38.722 38.460 0.001 0.000 0.966 112 Y HN 0.508 nan 8.280 nan 0.000 0.511 113 D N -0.168 120.347 120.400 0.191 0.000 2.348 113 D HA -0.112 4.528 4.640 -0.000 0.000 0.216 113 D C 2.007 178.284 176.300 -0.039 0.000 0.970 113 D CA 0.552 54.588 54.000 0.060 0.000 0.889 113 D CB -0.187 40.675 40.800 0.102 0.000 0.912 113 D HN 0.372 nan 8.370 nan 0.000 0.524 114 L N 0.986 122.208 121.223 -0.002 0.000 2.265 114 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 114 L C 2.194 178.846 176.870 -0.365 0.000 1.117 114 L CA 1.231 55.971 54.840 -0.167 0.000 0.782 114 L CB -0.706 41.242 42.059 -0.185 0.000 0.914 114 L HN -0.003 nan 8.230 nan 0.000 0.441 115 G N -0.743 108.005 108.800 -0.088 0.000 2.475 115 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 115 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 115 G C 1.722 176.476 174.900 -0.242 0.000 1.125 115 G CA 0.771 45.823 45.100 -0.080 0.000 0.755 115 G HN 0.408 nan 8.290 nan 0.000 0.565 116 R N -0.275 120.085 120.500 -0.233 0.000 2.249 116 R HA 0.001 4.341 4.340 -0.000 0.000 0.230 116 R C 2.286 178.451 176.300 -0.224 0.000 1.121 116 R CA 0.701 56.700 56.100 -0.168 0.000 0.997 116 R CB -0.060 30.177 30.300 -0.104 0.000 0.867 116 R HN 0.150 nan 8.270 nan 0.000 0.465 117 R N -0.638 119.593 120.500 -0.449 0.000 2.276 117 R HA 0.041 4.381 4.340 -0.000 0.000 0.196 117 R C 0.801 176.948 176.300 -0.255 0.000 0.961 117 R CA 0.723 56.569 56.100 -0.423 0.000 1.024 117 R CB 0.205 30.158 30.300 -0.578 0.000 0.940 117 R HN 0.228 nan 8.270 nan 0.000 0.480 118 F N 0.166 120.118 119.950 0.003 0.000 2.720 118 F HA 0.320 4.847 4.527 0.000 0.000 0.301 118 F C 0.363 176.159 175.800 -0.007 0.000 1.103 118 F CA -0.465 57.536 58.000 0.003 0.000 1.291 118 F CB 0.397 39.410 39.000 0.022 0.000 1.086 118 F HN -0.275 nan 8.300 nan 0.000 0.592 119 E N -0.471 119.790 120.200 0.102 0.000 2.356 119 E HA 0.234 4.584 4.350 -0.000 0.000 0.275 119 E C -0.897 175.706 176.600 0.005 0.000 0.904 119 E CA -0.551 55.876 56.400 0.044 0.000 0.757 119 E CB 2.186 31.901 29.700 0.026 0.000 1.232 119 E HN -0.202 nan 8.360 nan 0.000 0.442 120 S N 1.945 117.647 115.700 0.004 0.000 2.474 120 S HA 0.537 5.007 4.470 -0.000 0.000 0.276 120 S C -0.411 174.182 174.600 -0.011 0.000 1.227 120 S CA -0.281 57.915 58.200 -0.006 0.000 1.050 120 S CB -0.134 63.066 63.200 -0.001 0.000 0.939 120 S HN 0.317 nan 8.310 nan 0.000 0.490 121 L N 5.639 126.852 121.223 -0.015 0.000 2.350 121 L HA 0.616 4.956 4.340 -0.000 0.000 0.260 121 L C -1.951 174.915 176.870 -0.007 0.000 1.015 121 L CA -2.135 52.697 54.840 -0.014 0.000 0.821 121 L CB 1.940 43.989 42.059 -0.017 0.000 1.370 121 L HN 0.491 nan 8.230 nan 0.000 0.416 122 P HA 0.148 nan 4.420 nan 0.000 0.273 122 P C -1.041 176.264 177.300 0.007 0.000 1.250 122 P CA -0.269 62.831 63.100 0.000 0.000 0.793 122 P CB 0.567 32.266 31.700 -0.002 0.000 1.011 123 E N 0.579 120.784 120.200 0.008 0.000 3.846 123 E HA 0.152 4.502 4.350 -0.000 0.000 0.216 123 E C 0.535 177.142 176.600 0.011 0.000 1.092 123 E CA -0.271 56.136 56.400 0.012 0.000 1.370 123 E CB 0.289 29.994 29.700 0.009 0.000 1.227 123 E HN 0.250 nan 8.360 nan 0.000 0.442 124 I N 0.440 121.017 120.570 0.013 0.000 2.364 124 I HA 0.043 4.213 4.170 -0.000 0.000 0.241 124 I C 1.437 177.559 176.117 0.008 0.000 1.082 124 I CA 0.516 61.822 61.300 0.011 0.000 1.401 124 I CB -1.151 36.856 38.000 0.012 0.000 1.126 124 I HN 0.090 nan 8.210 nan 0.000 0.429 125 A N 2.418 125.244 122.820 0.010 0.000 2.598 125 A HA -0.145 4.175 4.320 -0.000 0.000 0.239 125 A C 0.722 178.305 177.584 -0.001 0.000 1.032 125 A CA 0.234 52.273 52.037 0.003 0.000 0.760 125 A CB -0.582 18.424 19.000 0.010 0.000 0.946 125 A HN 0.498 nan 8.150 nan 0.000 0.512 126 E N 1.934 122.127 120.200 -0.012 0.000 2.373 126 E HA 0.076 4.426 4.350 -0.000 0.000 0.267 126 E C 0.101 176.691 176.600 -0.017 0.000 1.032 126 E CA -0.253 56.139 56.400 -0.013 0.000 0.889 126 E CB 0.407 30.097 29.700 -0.017 0.000 0.984 126 E HN 0.666 nan 8.360 nan 0.000 0.425 127 Q N 3.726 123.522 119.800 -0.006 0.000 2.844 127 Q HA 0.008 4.348 4.340 -0.000 0.000 0.235 127 Q C -0.522 175.471 176.000 -0.011 0.000 1.336 127 Q CA -0.216 55.588 55.803 0.001 0.000 1.026 127 Q CB 0.102 28.851 28.738 0.019 0.000 1.513 127 Q HN 0.508 nan 8.270 nan 0.000 0.577 128 D N 2.316 122.691 120.400 -0.041 0.000 2.395 128 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 128 D C 0.043 176.318 176.300 -0.041 0.000 1.110 128 D CA -0.076 53.905 54.000 -0.033 0.000 0.835 128 D CB 0.263 41.043 40.800 -0.034 0.000 0.965 128 D HN 0.359 nan 8.370 nan 0.000 0.505 129 I N 0.928 121.463 120.570 -0.058 0.000 2.406 129 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 129 I C -0.308 175.845 176.117 0.061 0.000 0.999 129 I CA -1.227 60.056 61.300 -0.030 0.000 1.124 129 I CB 2.735 40.652 38.000 -0.140 0.000 1.289 129 I HN -0.314 nan 8.210 nan 0.000 0.441 130 V N 7.797 127.775 119.914 0.106 0.000 2.162 130 V HA 0.279 4.399 4.120 -0.000 0.000 0.255 130 V C -0.138 176.131 176.094 0.292 0.000 1.304 130 V CA -0.079 62.328 62.300 0.178 0.000 1.198 130 V CB 0.054 31.920 31.823 0.072 0.000 1.333 130 V HN 0.453 nan 8.190 nan 0.000 0.493 131 L N 5.562 126.958 121.223 0.288 0.000 2.408 131 L HA 0.693 5.033 4.340 -0.000 0.000 0.268 131 L C -2.594 174.202 176.870 -0.123 0.000 0.986 131 L CA -1.847 53.070 54.840 0.129 0.000 0.820 131 L CB 3.329 45.424 42.059 0.060 0.000 1.303 131 L HN 0.253 nan 8.230 nan 0.000 0.411 132 P HA 0.099 nan 4.420 nan 0.000 0.270 132 P C -0.653 176.372 177.300 -0.458 0.000 1.223 132 P CA -0.118 62.380 63.100 -1.003 0.000 0.785 132 P CB 0.573 31.818 31.700 -0.758 0.000 0.923 133 D N 0.166 120.331 120.400 -0.391 0.000 2.277 133 D HA 0.021 4.661 4.640 -0.000 0.000 0.208 133 D C 0.629 176.828 176.300 -0.168 0.000 0.962 133 D CA 1.454 55.348 54.000 -0.177 0.000 0.865 133 D CB 0.157 40.880 40.800 -0.129 0.000 0.939 133 D HN 0.290 nan 8.370 nan 0.000 0.510 134 M N 0.289 119.754 119.600 -0.226 0.000 2.224 134 M HA 0.472 4.952 4.480 -0.000 0.000 0.281 134 M C -2.062 174.113 176.300 -0.207 0.000 1.025 134 M CA -0.474 54.702 55.300 -0.207 0.000 0.954 134 M CB 2.468 34.996 32.600 -0.119 0.000 1.639 134 M HN -0.185 nan 8.290 nan 0.000 0.461 135 A N 4.836 127.527 122.820 -0.216 0.000 2.702 135 A HA 0.642 4.962 4.320 -0.000 0.000 0.305 135 A C -1.516 176.089 177.584 0.034 0.000 1.213 135 A CA -0.570 51.438 52.037 -0.049 0.000 0.745 135 A CB 0.809 19.709 19.000 -0.167 0.000 1.161 135 A HN 0.946 nan 8.150 nan 0.000 0.445 136 V N 0.580 120.556 119.914 0.105 0.000 2.789 136 V HA 0.993 5.113 4.120 -0.000 0.000 0.311 136 V C 0.121 176.240 176.094 0.041 0.000 1.073 136 V CA 0.162 62.509 62.300 0.078 0.000 0.921 136 V CB 1.701 33.456 31.823 -0.114 0.000 1.009 136 V HN 1.177 nan 8.190 nan 0.000 0.426 137 G N 4.472 113.304 108.800 0.055 0.000 2.412 137 G HA2 0.637 4.597 3.960 -0.000 0.000 0.318 137 G HA3 0.637 4.597 3.960 -0.000 0.000 0.318 137 G C -0.732 173.900 174.900 -0.446 0.000 1.146 137 G CA -0.791 44.053 45.100 -0.427 0.000 0.882 137 G HN 0.711 nan 8.290 nan 0.000 0.501 138 I N 1.432 121.650 120.570 -0.587 0.000 2.307 138 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 138 I C -1.035 174.771 176.117 -0.518 0.000 1.021 138 I CA -1.227 59.859 61.300 -0.356 0.000 1.224 138 I CB 0.363 38.252 38.000 -0.185 0.000 1.376 138 I HN 0.303 nan 8.210 nan 0.000 0.470 139 Y N 4.192 124.511 120.300 0.032 0.000 2.328 139 Y HA 0.245 4.795 4.550 0.000 0.000 0.337 139 Y C 0.903 176.897 175.900 0.156 0.000 0.966 139 Y CA -1.019 57.103 58.100 0.038 0.000 1.136 139 Y CB 1.280 39.713 38.460 -0.044 0.000 1.170 139 Y HN 0.558 nan 8.280 nan 0.000 0.470 140 D N 1.093 121.716 120.400 0.371 0.000 2.342 140 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 140 D C -0.320 176.273 176.300 0.488 0.000 1.101 140 D CA -0.055 54.198 54.000 0.421 0.000 0.837 140 D CB -0.042 40.920 40.800 0.270 0.000 0.938 140 D HN 0.474 nan 8.370 nan 0.000 0.508 141 W N -0.902 120.520 121.300 0.203 0.000 3.025 141 W HA 0.749 5.409 4.660 -0.001 0.000 0.343 141 W C -1.921 174.671 176.519 0.122 0.000 1.246 141 W CA -1.523 55.881 57.345 0.098 0.000 1.178 141 W CB 0.925 30.406 29.460 0.035 0.000 1.463 141 W HN -0.057 nan 8.180 nan 0.000 0.578 142 A N 1.539 124.507 122.820 0.245 0.000 2.601 142 A HA 0.704 5.024 4.320 -0.000 0.000 0.291 142 A C -2.518 175.168 177.584 0.170 0.000 1.075 142 A CA -0.869 51.150 52.037 -0.030 0.000 0.671 142 A CB 1.899 20.956 19.000 0.094 0.000 1.277 142 A HN 1.043 nan 8.150 nan 0.000 0.417 143 L N 1.902 123.169 121.223 0.075 0.000 2.319 143 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 143 L C -1.453 175.460 176.870 0.071 0.000 1.005 143 L CA -0.480 54.439 54.840 0.131 0.000 0.828 143 L CB 0.929 43.089 42.059 0.168 0.000 1.227 143 L HN 0.553 nan 8.230 nan 0.000 0.415 144 I N 6.473 127.093 120.570 0.083 0.000 2.389 144 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 144 I C -0.466 175.753 176.117 0.171 0.000 0.999 144 I CA -0.622 60.733 61.300 0.093 0.000 1.129 144 I CB 1.730 39.765 38.000 0.058 0.000 1.288 144 I HN 0.261 nan 8.210 nan 0.000 0.444 145 V N 5.317 125.349 119.914 0.195 0.000 2.328 145 V HA 0.243 4.363 4.120 -0.000 0.000 0.278 145 V C 0.005 176.225 176.094 0.210 0.000 1.021 145 V CA -0.540 61.870 62.300 0.184 0.000 0.838 145 V CB 1.586 33.429 31.823 0.033 0.000 0.999 145 V HN 0.586 nan 8.190 nan 0.000 0.447 146 D N 3.215 123.740 120.400 0.208 0.000 2.428 146 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 146 D C 1.054 177.219 176.300 -0.224 0.000 1.123 146 D CA -0.230 53.754 54.000 -0.026 0.000 0.869 146 D CB 0.646 41.449 40.800 0.006 0.000 1.032 146 D HN 0.552 nan 8.370 nan 0.000 0.506 147 H N 2.106 121.093 119.070 -0.137 0.000 2.546 147 H HA -0.081 4.474 4.556 -0.001 0.000 0.277 147 H C 1.514 176.535 175.328 -0.512 0.000 1.004 147 H CA 0.706 56.646 56.048 -0.179 0.000 1.231 147 H CB 0.679 30.420 29.762 -0.034 0.000 1.382 147 H HN 0.567 nan 8.280 nan 0.000 0.580 148 Q N 1.274 120.853 119.800 -0.368 0.000 2.089 148 Q HA -0.017 4.323 4.340 -0.000 0.000 0.195 148 Q C 1.835 177.609 176.000 -0.378 0.000 0.963 148 Q CA 0.573 56.183 55.803 -0.322 0.000 0.834 148 Q CB 0.300 28.902 28.738 -0.227 0.000 0.906 148 Q HN 0.202 nan 8.270 nan 0.000 0.452 149 R N -0.810 119.480 120.500 -0.349 0.000 2.297 149 R HA 0.054 4.394 4.340 -0.000 0.000 0.197 149 R C -0.394 175.673 176.300 -0.388 0.000 0.943 149 R CA 0.600 56.551 56.100 -0.247 0.000 1.038 149 R CB -0.012 30.207 30.300 -0.134 0.000 0.957 149 R HN 0.461 nan 8.270 nan 0.000 0.484 150 H N 0.334 118.990 119.070 -0.691 0.000 2.756 150 H HA -0.161 4.393 4.556 -0.003 0.000 0.315 150 H C -0.260 174.404 175.328 -1.108 0.000 1.210 150 H CA 1.119 56.201 56.048 -1.611 0.000 1.150 150 H CB -1.307 27.634 29.762 -1.367 0.000 1.463 150 H HN 0.282 nan 8.280 nan 0.000 0.427 151 T N -2.125 112.212 114.554 -0.362 0.000 2.903 151 T HA 0.664 5.014 4.350 -0.000 0.000 0.299 151 T C -0.705 174.250 174.700 0.425 0.000 1.093 151 T CA -0.630 61.549 62.100 0.131 0.000 1.002 151 T CB 2.072 70.982 68.868 0.070 0.000 1.127 151 T HN 0.078 nan 8.240 nan 0.000 0.488 152 V N 3.578 123.752 119.914 0.434 0.000 2.357 152 V HA 0.599 4.719 4.120 -0.000 0.000 0.284 152 V C -0.201 176.003 176.094 0.182 0.000 1.018 152 V CA -0.644 61.840 62.300 0.306 0.000 0.841 152 V CB 1.299 33.286 31.823 0.273 0.000 0.991 152 V HN 1.042 nan 8.190 nan 0.000 0.437 153 S N 5.748 121.533 115.700 0.142 0.000 2.473 153 S HA 0.684 5.154 4.470 -0.000 0.000 0.307 153 S C -0.716 173.930 174.600 0.078 0.000 1.094 153 S CA -0.518 57.739 58.200 0.095 0.000 1.070 153 S CB 1.885 65.133 63.200 0.081 0.000 1.019 153 S HN 0.549 nan 8.310 nan 0.000 0.480 154 L N 4.767 126.029 121.223 0.064 0.000 2.265 154 L HA 0.659 4.999 4.340 -0.000 0.000 0.289 154 L C -1.105 175.808 176.870 0.071 0.000 1.033 154 L CA -0.612 54.279 54.840 0.085 0.000 0.814 154 L CB 0.593 42.680 42.059 0.047 0.000 1.203 154 L HN 0.663 nan 8.230 nan 0.000 0.423 155 L N 2.807 124.091 121.223 0.101 0.000 2.346 155 L HA 0.951 5.291 4.340 -0.000 0.000 0.274 155 L C -0.385 176.527 176.870 0.068 0.000 1.007 155 L CA -0.291 54.566 54.840 0.027 0.000 0.818 155 L CB 1.999 44.037 42.059 -0.036 0.000 1.284 155 L HN 0.505 nan 8.230 nan 0.000 0.424 156 S N 0.072 115.750 115.700 -0.037 0.000 2.540 156 S HA 0.496 4.966 4.470 -0.000 0.000 0.275 156 S C 0.014 174.527 174.600 -0.145 0.000 1.123 156 S CA -0.510 57.691 58.200 0.001 0.000 0.907 156 S CB 0.984 64.189 63.200 0.008 0.000 1.081 156 S HN 0.845 nan 8.310 nan 0.000 0.476 157 H N 2.736 121.836 119.070 0.050 0.000 2.562 157 H HA 0.182 4.738 4.556 0.000 0.000 0.267 157 H C 1.385 176.701 175.328 -0.020 0.000 0.959 157 H CA 0.187 56.228 56.048 -0.012 0.000 1.204 157 H CB 0.300 30.023 29.762 -0.066 0.000 1.430 157 H HN 0.564 nan 8.280 nan 0.000 0.545 158 N N 0.685 119.438 118.700 0.088 0.000 2.241 158 N HA -0.086 4.654 4.740 -0.000 0.000 0.255 158 N C -0.192 175.311 175.510 -0.012 0.000 1.265 158 N CA -0.111 52.955 53.050 0.027 0.000 0.906 158 N CB 0.396 38.889 38.487 0.010 0.000 1.187 158 N HN 0.043 nan 8.380 nan 0.000 0.409 159 D N 1.059 121.435 120.400 -0.040 0.000 2.427 159 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 159 D C 0.307 176.567 176.300 -0.067 0.000 1.076 159 D CA -0.237 53.736 54.000 -0.046 0.000 0.849 159 D CB 1.404 42.180 40.800 -0.041 0.000 1.052 159 D HN 0.105 nan 8.370 nan 0.000 0.515 160 V N 4.430 124.313 119.914 -0.051 0.000 3.305 160 V HA -0.078 4.042 4.120 -0.000 0.000 0.269 160 V C 1.216 177.283 176.094 -0.046 0.000 1.157 160 V CA 1.055 63.322 62.300 -0.055 0.000 1.157 160 V CB -0.386 31.415 31.823 -0.036 0.000 0.772 160 V HN 0.446 nan 8.190 nan 0.000 0.498 161 N N 0.777 119.456 118.700 -0.034 0.000 2.278 161 N HA 0.083 4.823 4.740 -0.000 0.000 0.181 161 N C 1.962 177.459 175.510 -0.020 0.000 1.023 161 N CA 1.368 54.407 53.050 -0.018 0.000 0.862 161 N CB -0.517 37.966 38.487 -0.006 0.000 1.003 161 N HN 0.428 nan 8.380 nan 0.000 0.431 162 A N 1.322 124.123 122.820 -0.031 0.000 1.940 162 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 162 A C 2.273 179.835 177.584 -0.037 0.000 1.190 162 A CA 2.135 54.154 52.037 -0.030 0.000 0.647 162 A CB -0.465 18.500 19.000 -0.058 0.000 0.821 162 A HN 0.228 nan 8.150 nan 0.000 0.457 163 R N -0.650 119.776 120.500 -0.124 0.000 2.127 163 R HA 0.085 4.425 4.340 -0.000 0.000 0.217 163 R C 2.222 178.473 176.300 -0.082 0.000 1.074 163 R CA 1.384 57.341 56.100 -0.239 0.000 0.991 163 R CB -0.472 29.518 30.300 -0.517 0.000 0.895 163 R HN 0.545 nan 8.270 nan 0.000 0.450 164 R N -0.282 120.192 120.500 -0.043 0.000 2.075 164 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 164 R C 1.918 178.250 176.300 0.054 0.000 1.126 164 R CA 1.372 57.477 56.100 0.009 0.000 0.963 164 R CB -0.315 29.993 30.300 0.012 0.000 0.858 164 R HN 0.295 nan 8.270 nan 0.000 0.435 165 A N 0.368 123.219 122.820 0.052 0.000 1.883 165 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 165 A C 1.919 179.551 177.584 0.079 0.000 1.186 165 A CA 1.560 53.632 52.037 0.058 0.000 0.624 165 A CB -1.119 17.912 19.000 0.052 0.000 0.822 165 A HN 0.741 nan 8.150 nan 0.000 0.444 166 W N 0.276 121.516 121.300 -0.099 0.000 2.379 166 W HA -0.122 4.537 4.660 -0.001 0.000 0.307 166 W C 1.820 178.290 176.519 -0.083 0.000 1.200 166 W CA 1.623 58.908 57.345 -0.100 0.000 1.297 166 W CB -0.349 29.017 29.460 -0.157 0.000 1.140 166 W HN 0.256 nan 8.180 nan 0.000 0.507 167 L N 0.919 122.287 121.223 0.241 0.000 2.051 167 L HA -0.297 4.043 4.340 -0.000 0.000 0.214 167 L C 2.670 179.491 176.870 -0.080 0.000 1.076 167 L CA 1.902 56.785 54.840 0.072 0.000 0.758 167 L CB -0.688 41.465 42.059 0.158 0.000 0.890 167 L HN 0.019 nan 8.230 nan 0.000 0.433 168 E N 0.115 120.303 120.200 -0.020 0.000 2.049 168 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 168 E C 2.297 178.851 176.600 -0.077 0.000 1.007 168 E CA 1.828 58.225 56.400 -0.005 0.000 0.809 168 E CB -0.362 29.348 29.700 0.016 0.000 0.749 168 E HN 0.612 nan 8.360 nan 0.000 0.450 169 S N 0.412 116.025 115.700 -0.145 0.000 2.447 169 S HA -0.067 4.403 4.470 -0.000 0.000 0.233 169 S C 0.868 175.310 174.600 -0.264 0.000 1.006 169 S CA 0.236 58.327 58.200 -0.182 0.000 0.957 169 S CB -0.071 63.010 63.200 -0.199 0.000 0.773 169 S HN 0.056 nan 8.310 nan 0.000 0.507 170 Q N 2.044 121.612 119.800 -0.387 0.000 2.332 170 Q HA 0.353 4.693 4.340 -0.000 0.000 0.263 170 Q C -0.146 175.721 176.000 -0.223 0.000 0.979 170 Q CA 0.359 55.924 55.803 -0.397 0.000 0.885 170 Q CB 0.370 28.776 28.738 -0.554 0.000 1.218 170 Q HN 0.430 nan 8.270 nan 0.000 0.405 171 Q N 1.275 120.971 119.800 -0.173 0.000 2.266 171 Q HA 0.338 4.678 4.340 -0.000 0.000 0.261 171 Q C -0.894 175.061 176.000 -0.074 0.000 0.985 171 Q CA -0.696 55.046 55.803 -0.102 0.000 0.873 171 Q CB 1.362 30.047 28.738 -0.090 0.000 1.306 171 Q HN 0.527 nan 8.270 nan 0.000 0.447 172 F N 2.776 122.632 119.950 -0.157 0.000 2.462 172 F HA 0.092 4.620 4.527 0.001 0.000 0.354 172 F C 0.247 175.994 175.800 -0.088 0.000 1.192 172 F CA -0.734 57.185 58.000 -0.134 0.000 1.173 172 F CB 0.168 39.099 39.000 -0.114 0.000 1.402 172 F HN 0.362 nan 8.300 nan 0.000 0.595 173 S N 6.803 122.113 115.700 -0.650 0.000 2.629 173 S HA 0.079 4.549 4.470 -0.000 0.000 0.302 173 S C -2.287 171.950 174.600 -0.606 0.000 1.244 173 S CA -1.308 56.565 58.200 -0.544 0.000 1.098 173 S CB -0.480 62.429 63.200 -0.485 0.000 0.858 173 S HN 0.488 nan 8.310 nan 0.000 0.502 174 P HA -0.078 nan 4.420 nan 0.000 0.252 174 P C 1.006 178.166 177.300 -0.233 0.000 1.147 174 P CA 0.395 63.356 63.100 -0.232 0.000 0.779 174 P CB 0.042 31.653 31.700 -0.149 0.000 0.733 175 Q N 2.507 122.196 119.800 -0.185 0.000 2.323 175 Q HA -0.302 4.038 4.340 -0.000 0.000 0.611 175 Q C 0.156 176.130 176.000 -0.043 0.000 0.660 175 Q CA 1.814 57.566 55.803 -0.086 0.000 0.961 175 Q CB -0.607 28.129 28.738 -0.003 0.000 1.491 175 Q HN 0.603 nan 8.270 nan 0.000 0.931 176 E N 0.764 120.972 120.200 0.013 0.000 7.466 176 E HA -0.116 4.234 4.350 -0.000 0.000 0.222 176 E C -1.634 175.033 176.600 0.112 0.000 0.883 176 E CA 0.704 57.133 56.400 0.048 0.000 1.631 176 E CB -0.939 28.788 29.700 0.044 0.000 0.901 176 E HN 0.473 nan 8.360 nan 0.000 0.264 177 D N 3.591 124.051 120.400 0.100 0.000 2.487 177 D HA 0.175 4.815 4.640 -0.000 0.000 0.243 177 D C -0.392 176.012 176.300 0.174 0.000 1.154 177 D CA 0.154 54.234 54.000 0.133 0.000 0.876 177 D CB 0.119 40.969 40.800 0.083 0.000 1.161 177 D HN 0.334 nan 8.370 nan 0.000 0.478 178 F N 3.521 123.531 119.950 0.100 0.000 2.504 178 F HA 0.315 4.842 4.527 0.001 0.000 0.369 178 F C 0.237 176.091 175.800 0.090 0.000 1.082 178 F CA 0.191 58.267 58.000 0.126 0.000 1.216 178 F CB 0.785 39.858 39.000 0.122 0.000 1.108 178 F HN 0.149 nan 8.300 nan 0.000 0.554 179 T N 7.625 121.863 114.554 -0.526 0.000 2.952 179 T HA 0.345 4.695 4.350 -0.000 0.000 0.305 179 T C -1.064 173.244 174.700 -0.653 0.000 1.064 179 T CA -0.855 60.992 62.100 -0.422 0.000 1.008 179 T CB 0.686 69.442 68.868 -0.187 0.000 1.078 179 T HN 0.583 nan 8.240 nan 0.000 0.459 180 L N 4.895 125.839 121.223 -0.465 0.000 2.410 180 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 180 L C 1.518 178.219 176.870 -0.281 0.000 1.144 180 L CA 0.176 54.794 54.840 -0.370 0.000 0.863 180 L CB 1.272 43.166 42.059 -0.275 0.000 1.140 180 L HN 1.002 nan 8.230 nan 0.000 0.463 181 T N -1.893 112.503 114.554 -0.265 0.000 3.174 181 T HA 0.205 4.555 4.350 -0.000 0.000 0.269 181 T C 0.299 174.883 174.700 -0.195 0.000 1.017 181 T CA -0.104 61.873 62.100 -0.204 0.000 0.899 181 T CB 0.053 68.808 68.868 -0.188 0.000 1.077 181 T HN 0.593 nan 8.240 nan 0.000 0.552 182 S N -0.523 115.030 115.700 -0.245 0.000 2.615 182 S HA 0.555 5.025 4.470 -0.000 0.000 0.269 182 S C -1.829 172.610 174.600 -0.269 0.000 1.161 182 S CA -0.993 57.072 58.200 -0.224 0.000 0.817 182 S CB 1.496 64.556 63.200 -0.235 0.000 1.131 182 S HN 0.068 nan 8.310 nan 0.000 0.467 183 D N -0.058 120.236 120.400 -0.178 0.000 2.411 183 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 183 D C -0.570 175.628 176.300 -0.171 0.000 1.201 183 D CA -0.083 53.835 54.000 -0.137 0.000 0.996 183 D CB 0.334 41.137 40.800 0.006 0.000 1.101 183 D HN 0.605 nan 8.370 nan 0.000 0.504 184 W N 0.583 121.880 121.300 -0.005 0.000 2.190 184 W HA 0.212 4.872 4.660 0.000 0.000 0.330 184 W C 0.778 177.370 176.519 0.122 0.000 1.299 184 W CA -0.190 57.179 57.345 0.039 0.000 1.215 184 W CB 0.451 29.948 29.460 0.061 0.000 1.147 184 W HN 0.110 nan 8.180 nan 0.000 0.563 185 Q N 2.530 122.592 119.800 0.437 0.000 2.304 185 Q HA 0.346 4.686 4.340 -0.000 0.000 0.270 185 Q C -0.367 175.917 176.000 0.472 0.000 1.035 185 Q CA -0.550 55.501 55.803 0.413 0.000 0.781 185 Q CB 1.864 30.797 28.738 0.326 0.000 1.261 185 Q HN 0.422 nan 8.270 nan 0.000 0.444 186 S N 1.682 117.550 115.700 0.280 0.000 2.603 186 S HA 0.112 4.582 4.470 -0.000 0.000 0.268 186 S C 0.764 175.349 174.600 -0.026 0.000 1.317 186 S CA -0.268 57.890 58.200 -0.070 0.000 1.012 186 S CB 0.415 63.475 63.200 -0.233 0.000 0.926 186 S HN 0.826 nan 8.310 nan 0.000 0.539 187 N N 3.022 121.638 118.700 -0.140 0.000 2.449 187 N HA 0.092 4.832 4.740 -0.000 0.000 0.191 187 N C -0.372 175.106 175.510 -0.053 0.000 1.161 187 N CA 0.363 53.362 53.050 -0.084 0.000 0.863 187 N CB -0.333 38.090 38.487 -0.106 0.000 0.980 187 N HN 0.494 nan 8.380 nan 0.000 0.458 188 M N 0.170 119.747 119.600 -0.037 0.000 2.324 188 M HA 0.225 4.705 4.480 -0.000 0.000 0.288 188 M C -0.517 175.836 176.300 0.090 0.000 1.097 188 M CA -0.652 54.666 55.300 0.031 0.000 0.928 188 M CB 2.645 35.289 32.600 0.074 0.000 1.648 188 M HN 0.042 nan 8.290 nan 0.000 0.460 189 T N -1.399 113.205 114.554 0.085 0.000 2.770 189 T HA 0.328 4.678 4.350 -0.000 0.000 0.281 189 T C 0.919 175.682 174.700 0.105 0.000 0.981 189 T CA -0.442 61.718 62.100 0.101 0.000 0.955 189 T CB 1.037 69.943 68.868 0.064 0.000 1.060 189 T HN 0.762 nan 8.240 nan 0.000 0.531 190 R N 0.631 121.152 120.500 0.034 0.000 2.096 190 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 190 R C 1.903 178.131 176.300 -0.120 0.000 1.127 190 R CA 1.696 57.670 56.100 -0.209 0.000 0.968 190 R CB -1.062 29.060 30.300 -0.297 0.000 0.861 190 R HN 0.784 nan 8.270 nan 0.000 0.440 191 E N 0.037 120.214 120.200 -0.039 0.000 2.112 191 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 191 E C 2.010 178.616 176.600 0.010 0.000 0.979 191 E CA 1.221 57.609 56.400 -0.020 0.000 0.814 191 E CB -0.112 29.581 29.700 -0.012 0.000 0.762 191 E HN 0.476 nan 8.360 nan 0.000 0.460 192 Q N -0.690 119.131 119.800 0.035 0.000 2.079 192 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 192 Q C 1.835 177.872 176.000 0.062 0.000 0.974 192 Q CA 1.345 57.172 55.803 0.040 0.000 0.840 192 Q CB -0.295 28.469 28.738 0.044 0.000 0.898 192 Q HN 0.352 nan 8.270 nan 0.000 0.430 193 Y N 1.019 121.323 120.300 0.007 0.000 2.081 193 Y HA -0.261 4.289 4.550 -0.000 0.000 0.280 193 Y C 2.184 178.116 175.900 0.054 0.000 1.163 193 Y CA 1.879 60.009 58.100 0.050 0.000 1.135 193 Y CB -0.836 37.697 38.460 0.122 0.000 0.970 193 Y HN 0.103 nan 8.280 nan 0.000 0.498 194 G N -0.137 108.707 108.800 0.073 0.000 2.631 194 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.219 194 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.219 194 G C 1.565 176.462 174.900 -0.004 0.000 1.214 194 G CA 1.310 46.416 45.100 0.011 0.000 0.785 194 G HN 0.584 nan 8.290 nan 0.000 0.596 195 E N 0.611 120.802 120.200 -0.016 0.000 2.086 195 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 195 E C 2.397 178.970 176.600 -0.045 0.000 1.012 195 E CA 1.697 58.083 56.400 -0.022 0.000 0.812 195 E CB -0.125 29.563 29.700 -0.019 0.000 0.743 195 E HN 0.554 nan 8.360 nan 0.000 0.453 196 K N -0.506 119.842 120.400 -0.086 0.000 2.243 196 K HA -0.053 4.267 4.320 -0.000 0.000 0.201 196 K C 1.993 178.510 176.600 -0.138 0.000 1.051 196 K CA 0.801 57.026 56.287 -0.102 0.000 0.970 196 K CB -0.252 32.188 32.500 -0.100 0.000 0.755 196 K HN 0.133 nan 8.250 nan 0.000 0.465 197 F N 2.869 122.581 119.950 -0.396 0.000 2.069 197 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 197 F C 2.102 177.822 175.800 -0.134 0.000 1.113 197 F CA 1.524 59.337 58.000 -0.313 0.000 1.214 197 F CB 0.002 38.794 39.000 -0.347 0.000 0.978 197 F HN -0.182 nan 8.300 nan 0.000 0.474 198 R N 0.003 120.537 120.500 0.056 0.000 2.105 198 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 198 R C 2.227 178.450 176.300 -0.128 0.000 1.135 198 R CA 1.837 57.919 56.100 -0.029 0.000 0.967 198 R CB -0.663 29.647 30.300 0.017 0.000 0.861 198 R HN 0.488 nan 8.270 nan 0.000 0.442 199 Q N 0.159 119.884 119.800 -0.125 0.000 2.135 199 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 199 Q C 2.229 178.131 176.000 -0.163 0.000 0.981 199 Q CA 1.478 57.164 55.803 -0.193 0.000 0.856 199 Q CB -0.078 28.585 28.738 -0.125 0.000 0.902 199 Q HN 0.178 nan 8.270 nan 0.000 0.425 200 V N 1.122 120.986 119.914 -0.082 0.000 2.237 200 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 200 V C 2.241 178.301 176.094 -0.057 0.000 1.046 200 V CA 1.919 64.215 62.300 -0.006 0.000 1.007 200 V CB -0.565 31.181 31.823 -0.129 0.000 0.638 200 V HN 0.411 nan 8.190 nan 0.000 0.445 201 Q N -0.839 118.828 119.800 -0.222 0.000 2.135 201 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 201 Q C 2.315 178.291 176.000 -0.040 0.000 0.981 201 Q CA 1.285 56.991 55.803 -0.162 0.000 0.856 201 Q CB -0.204 28.371 28.738 -0.272 0.000 0.902 201 Q HN 0.567 nan 8.270 nan 0.000 0.425 202 E N 0.058 120.204 120.200 -0.089 0.000 2.106 202 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 202 E C 1.759 178.380 176.600 0.035 0.000 0.984 202 E CA 1.000 57.383 56.400 -0.028 0.000 0.806 202 E CB -0.200 29.417 29.700 -0.138 0.000 0.750 202 E HN 0.424 nan 8.360 nan 0.000 0.458 203 Y N 0.676 120.984 120.300 0.013 0.000 2.274 203 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 203 Y C 2.320 178.217 175.900 -0.004 0.000 1.145 203 Y CA 0.716 58.815 58.100 -0.001 0.000 1.203 203 Y CB -0.467 37.978 38.460 -0.024 0.000 0.984 203 Y HN 0.007 nan 8.280 nan 0.000 0.533 204 L N -1.108 120.208 121.223 0.154 0.000 2.109 204 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 204 L C 2.658 179.579 176.870 0.084 0.000 1.086 204 L CA 1.517 56.417 54.840 0.101 0.000 0.760 204 L CB -0.762 41.337 42.059 0.068 0.000 0.910 204 L HN 0.362 nan 8.230 nan 0.000 0.437 205 H N 0.360 119.444 119.070 0.023 0.000 2.389 205 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 205 H C 1.970 177.312 175.328 0.024 0.000 1.081 205 H CA 1.625 57.681 56.048 0.013 0.000 1.345 205 H CB 0.165 29.922 29.762 -0.009 0.000 1.393 205 H HN 0.343 nan 8.280 nan 0.000 0.520 206 S N -0.631 114.875 115.700 -0.323 0.000 2.754 206 S HA 0.220 4.690 4.470 -0.000 0.000 0.223 206 S C 1.568 176.071 174.600 -0.161 0.000 0.951 206 S CA 0.484 58.452 58.200 -0.386 0.000 0.954 206 S CB -0.605 62.539 63.200 -0.092 0.000 0.780 206 S HN 0.808 nan 8.310 nan 0.000 0.509 207 G N 1.442 110.181 108.800 -0.102 0.000 2.234 207 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 207 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 207 G C 0.569 175.480 174.900 0.019 0.000 0.987 207 G CA 0.426 45.508 45.100 -0.030 0.000 0.625 207 G HN 0.553 nan 8.290 nan 0.000 0.532 208 D N -0.196 120.225 120.400 0.036 0.000 2.092 208 D HA 0.016 4.656 4.640 -0.000 0.000 0.193 208 D C 1.489 177.805 176.300 0.028 0.000 0.994 208 D CA 1.568 55.579 54.000 0.018 0.000 0.828 208 D CB -0.136 40.652 40.800 -0.020 0.000 0.963 208 D HN 0.516 nan 8.370 nan 0.000 0.450 209 C N -1.293 118.034 119.300 0.044 0.000 2.913 209 C HA 0.398 4.858 4.460 -0.000 0.000 0.322 209 C C 0.424 175.499 174.990 0.142 0.000 1.292 209 C CA -0.772 58.276 59.018 0.049 0.000 1.649 209 C CB 0.929 28.652 27.740 -0.029 0.000 2.139 209 C HN 0.441 nan 8.230 nan 0.000 0.475 210 Y N -0.316 119.979 120.300 -0.008 0.000 2.471 210 Y HA 0.476 5.026 4.550 -0.000 0.000 0.249 210 Y C 0.189 176.090 175.900 0.002 0.000 1.116 210 Y CA -0.260 57.840 58.100 -0.000 0.000 1.240 210 Y CB -0.260 38.202 38.460 0.003 0.000 1.251 210 Y HN 0.671 nan 8.280 nan 0.000 0.527 211 Q N 0.729 120.448 119.800 -0.135 0.000 2.391 211 Q HA 0.697 5.037 4.340 -0.000 0.000 0.279 211 Q C -2.458 173.480 176.000 -0.103 0.000 1.028 211 Q CA -0.880 54.868 55.803 -0.093 0.000 0.836 211 Q CB 2.982 31.659 28.738 -0.101 0.000 1.414 211 Q HN 0.032 nan 8.270 nan 0.000 0.397 212 V N 2.993 122.874 119.914 -0.055 0.000 2.777 212 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 212 V C -1.106 174.982 176.094 -0.011 0.000 1.112 212 V CA -0.879 61.393 62.300 -0.047 0.000 0.917 212 V CB 2.071 33.869 31.823 -0.042 0.000 1.018 212 V HN 0.859 nan 8.190 nan 0.000 0.426 213 N N 3.446 122.145 118.700 -0.003 0.000 2.414 213 N HA 0.539 5.279 4.740 -0.000 0.000 0.256 213 N C -1.044 174.502 175.510 0.059 0.000 1.029 213 N CA -0.280 52.792 53.050 0.036 0.000 0.948 213 N CB 1.175 39.672 38.487 0.017 0.000 1.102 213 N HN 0.622 nan 8.380 nan 0.000 0.496 214 L N 3.523 124.806 121.223 0.099 0.000 2.313 214 L HA 0.863 5.203 4.340 -0.000 0.000 0.283 214 L C -0.873 176.084 176.870 0.144 0.000 1.013 214 L CA -0.516 54.383 54.840 0.099 0.000 0.816 214 L CB 1.160 43.270 42.059 0.084 0.000 1.236 214 L HN 0.622 nan 8.230 nan 0.000 0.419 215 A N 4.776 127.638 122.820 0.070 0.000 2.423 215 A HA 0.807 5.127 4.320 -0.000 0.000 0.304 215 A C -1.222 176.287 177.584 -0.125 0.000 1.104 215 A CA -0.688 51.336 52.037 -0.021 0.000 0.757 215 A CB 1.449 20.366 19.000 -0.138 0.000 1.313 215 A HN 0.759 nan 8.150 nan 0.000 0.423 216 Q N 0.347 119.999 119.800 -0.247 0.000 2.241 216 Q HA 0.744 5.084 4.340 -0.000 0.000 0.262 216 Q C -0.545 175.137 176.000 -0.531 0.000 1.014 216 Q CA -0.922 54.668 55.803 -0.355 0.000 0.885 216 Q CB 1.844 30.286 28.738 -0.492 0.000 1.311 216 Q HN 0.686 nan 8.270 nan 0.000 0.461 217 R N 1.166 121.364 120.500 -0.503 0.000 2.561 217 R HA 0.480 4.820 4.340 -0.000 0.000 0.297 217 R C -1.724 174.378 176.300 -0.329 0.000 0.969 217 R CA -0.478 55.382 56.100 -0.401 0.000 0.879 217 R CB 1.113 31.280 30.300 -0.222 0.000 1.178 217 R HN 0.603 nan 8.270 nan 0.000 0.445 218 F N 3.225 123.174 119.950 -0.002 0.000 2.422 218 F HA 0.406 4.933 4.527 0.000 0.000 0.333 218 F C 0.398 176.476 175.800 0.462 0.000 1.095 218 F CA -0.405 57.705 58.000 0.184 0.000 1.038 218 F CB 1.463 40.431 39.000 -0.053 0.000 1.156 218 F HN 0.673 nan 8.300 nan 0.000 0.483 219 H N 0.426 119.850 119.070 0.591 0.000 2.961 219 H HA 0.926 5.481 4.556 -0.000 0.000 0.371 219 H C -1.736 173.689 175.328 0.163 0.000 1.190 219 H CA -1.062 55.192 56.048 0.344 0.000 1.138 219 H CB 1.856 31.713 29.762 0.158 0.000 1.816 219 H HN 0.894 nan 8.280 nan 0.000 0.551 220 A N 1.349 123.882 122.820 -0.478 0.000 2.599 220 A HA 0.588 4.908 4.320 -0.000 0.000 0.290 220 A C -0.706 176.632 177.584 -0.411 0.000 1.101 220 A CA -0.471 51.166 52.037 -0.667 0.000 0.674 220 A CB 0.997 19.399 19.000 -0.995 0.000 1.277 220 A HN 1.062 nan 8.150 nan 0.000 0.419 221 T N -0.470 113.881 114.554 -0.338 0.000 2.922 221 T HA 0.710 5.060 4.350 -0.000 0.000 0.285 221 T C -0.368 174.232 174.700 -0.166 0.000 1.005 221 T CA -0.008 61.968 62.100 -0.207 0.000 1.061 221 T CB 0.834 69.585 68.868 -0.196 0.000 1.007 221 T HN 1.660 nan 8.240 nan 0.000 0.502 222 Y N -0.961 119.171 120.300 -0.280 0.000 2.689 222 Y HA 0.800 5.350 4.550 0.000 0.000 0.333 222 Y C -0.738 174.976 175.900 -0.310 0.000 1.190 222 Y CA -1.277 56.584 58.100 -0.400 0.000 1.063 222 Y CB 0.974 39.121 38.460 -0.522 0.000 1.294 222 Y HN 1.002 nan 8.280 nan 0.000 0.466 223 S N -0.060 115.431 115.700 -0.347 0.000 2.638 223 S HA 0.936 5.406 4.470 -0.000 0.000 0.274 223 S C -0.182 174.392 174.600 -0.042 0.000 1.157 223 S CA -0.473 57.550 58.200 -0.294 0.000 0.826 223 S CB 1.162 64.231 63.200 -0.218 0.000 1.139 223 S HN 2.615 nan 8.310 nan 0.000 0.474 224 G N 0.496 109.336 108.800 0.067 0.000 2.655 224 G HA2 0.140 4.100 3.960 -0.000 0.000 0.680 224 G HA3 0.140 4.100 3.960 -0.000 0.000 0.680 224 G C -1.233 173.918 174.900 0.419 0.000 1.302 224 G CA -0.185 45.038 45.100 0.204 0.000 0.872 224 G HN 1.094 nan 8.290 nan 0.000 0.540 225 D N -0.568 120.080 120.400 0.413 0.000 2.210 225 D HA 0.594 5.234 4.640 -0.000 0.000 0.249 225 D C 1.246 177.850 176.300 0.506 0.000 1.078 225 D CA -0.349 53.918 54.000 0.446 0.000 0.875 225 D CB 1.044 42.035 40.800 0.319 0.000 1.175 225 D HN 0.392 nan 8.370 nan 0.000 0.440 226 E N 2.340 122.850 120.200 0.518 0.000 2.478 226 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 226 E C 1.059 177.930 176.600 0.451 0.000 1.045 226 E CA -0.054 56.579 56.400 0.388 0.000 0.868 226 E CB -0.028 29.898 29.700 0.378 0.000 0.885 226 E HN 0.600 nan 8.360 nan 0.000 0.505 227 W N 1.282 122.719 121.300 0.229 0.000 2.381 227 W HA -0.224 4.436 4.660 -0.001 0.000 0.301 227 W C 1.676 178.251 176.519 0.094 0.000 1.205 227 W CA 1.373 58.711 57.345 -0.012 0.000 1.285 227 W CB 0.153 29.539 29.460 -0.122 0.000 1.133 227 W HN 0.157 nan 8.180 nan 0.000 0.521 228 Q N 1.132 120.936 119.800 0.006 0.000 2.124 228 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 228 Q C 2.265 178.160 176.000 -0.175 0.000 0.977 228 Q CA 2.670 58.392 55.803 -0.135 0.000 0.850 228 Q CB -0.694 28.083 28.738 0.065 0.000 0.901 228 Q HN 0.225 nan 8.270 nan 0.000 0.429 229 A N -0.575 122.160 122.820 -0.142 0.000 1.930 229 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 229 A C 1.924 179.390 177.584 -0.197 0.000 1.175 229 A CA 1.171 53.041 52.037 -0.279 0.000 0.627 229 A CB -0.928 17.623 19.000 -0.750 0.000 0.815 229 A HN 0.556 nan 8.150 nan 0.000 0.443 230 F N 0.796 120.620 119.950 -0.210 0.000 2.065 230 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 230 F C 1.918 177.526 175.800 -0.319 0.000 1.112 230 F CA 1.937 59.847 58.000 -0.150 0.000 1.212 230 F CB -0.420 38.614 39.000 0.057 0.000 0.975 230 F HN 0.150 nan 8.300 nan 0.000 0.476 231 L N -0.036 120.892 121.223 -0.492 0.000 2.081 231 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 231 L C 2.498 179.127 176.870 -0.401 0.000 1.080 231 L CA 2.040 56.536 54.840 -0.573 0.000 0.754 231 L CB -0.826 40.886 42.059 -0.578 0.000 0.893 231 L HN 0.365 nan 8.230 nan 0.000 0.433 232 Q N -0.565 119.056 119.800 -0.299 0.000 2.212 232 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 232 Q C 2.185 178.048 176.000 -0.228 0.000 0.950 232 Q CA 0.853 56.532 55.803 -0.207 0.000 0.863 232 Q CB -0.317 28.341 28.738 -0.133 0.000 0.944 232 Q HN 0.417 nan 8.270 nan 0.000 0.465 233 L N 1.134 122.186 121.223 -0.284 0.000 2.083 233 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 233 L C 2.317 178.985 176.870 -0.336 0.000 1.083 233 L CA 1.133 55.814 54.840 -0.265 0.000 0.752 233 L CB -0.500 41.414 42.059 -0.241 0.000 0.899 233 L HN 0.313 nan 8.230 nan 0.000 0.433 234 N N 0.011 118.358 118.700 -0.588 0.000 2.069 234 N HA -0.259 4.481 4.740 -0.000 0.000 0.191 234 N C 1.870 177.227 175.510 -0.254 0.000 1.031 234 N CA 1.505 54.210 53.050 -0.575 0.000 0.852 234 N CB -0.118 37.764 38.487 -1.008 0.000 1.018 234 N HN 0.309 nan 8.380 nan 0.000 0.423 235 Q N -0.435 119.255 119.800 -0.183 0.000 2.061 235 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 235 Q C 1.656 177.624 176.000 -0.055 0.000 0.984 235 Q CA 1.937 57.701 55.803 -0.065 0.000 0.846 235 Q CB -0.258 28.424 28.738 -0.093 0.000 0.902 235 Q HN 0.472 nan 8.270 nan 0.000 0.421 236 A N -0.070 122.700 122.820 -0.084 0.000 2.067 236 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 236 A C 1.381 178.951 177.584 -0.022 0.000 1.156 236 A CA 1.290 53.295 52.037 -0.052 0.000 0.683 236 A CB -0.180 18.784 19.000 -0.061 0.000 0.808 236 A HN 0.480 nan 8.150 nan 0.000 0.455 237 N N -0.813 117.870 118.700 -0.028 0.000 2.415 237 N HA 0.066 4.806 4.740 -0.000 0.000 0.174 237 N C -0.118 175.469 175.510 0.127 0.000 1.048 237 N CA 0.208 53.280 53.050 0.036 0.000 0.895 237 N CB -0.017 38.463 38.487 -0.012 0.000 1.036 237 N HN 0.385 nan 8.380 nan 0.000 0.449 238 R N 0.081 120.628 120.500 0.079 0.000 3.184 238 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 238 R C -0.786 175.656 176.300 0.235 0.000 0.907 238 R CA 0.432 56.608 56.100 0.126 0.000 0.618 238 R CB -2.405 27.966 30.300 0.119 0.000 1.016 238 R HN 0.165 nan 8.270 nan 0.000 0.469 239 A N 1.403 124.321 122.820 0.163 0.000 2.289 239 A HA 0.456 4.776 4.320 -0.000 0.000 0.298 239 A C -0.981 176.651 177.584 0.079 0.000 1.208 239 A CA -1.633 50.498 52.037 0.156 0.000 0.845 239 A CB 0.536 19.552 19.000 0.027 0.000 1.125 239 A HN 0.121 nan 8.150 nan 0.000 0.517 240 P HA -0.077 nan 4.420 nan 0.000 0.228 240 P C -0.071 176.902 177.300 -0.545 0.000 1.151 240 P CA 1.222 64.160 63.100 -0.271 0.000 0.770 240 P CB 0.004 31.415 31.700 -0.481 0.000 0.786 241 F N -0.370 119.583 119.950 0.005 0.000 2.831 241 F HA 0.261 4.788 4.527 -0.000 0.000 0.355 241 F C 0.799 176.639 175.800 0.067 0.000 1.341 241 F CA -0.505 57.517 58.000 0.037 0.000 1.201 241 F CB 0.090 39.097 39.000 0.013 0.000 1.058 241 F HN -0.294 nan 8.300 nan 0.000 0.514 242 S N 1.271 117.069 115.700 0.163 0.000 2.632 242 S HA 0.846 5.316 4.470 -0.000 0.000 0.267 242 S C 0.085 174.836 174.600 0.252 0.000 1.276 242 S CA -0.409 57.931 58.200 0.234 0.000 0.998 242 S CB 1.527 64.872 63.200 0.243 0.000 0.953 242 S HN 0.419 nan 8.310 nan 0.000 0.547 243 A N 1.133 124.119 122.820 0.277 0.000 2.594 243 A HA 0.649 4.969 4.320 -0.000 0.000 0.296 243 A C -1.835 175.678 177.584 -0.119 0.000 1.056 243 A CA -0.638 51.446 52.037 0.078 0.000 0.693 243 A CB 0.874 19.906 19.000 0.053 0.000 1.278 243 A HN 0.673 nan 8.150 nan 0.000 0.408 244 F N 2.423 122.094 119.950 -0.465 0.000 2.499 244 F HA 0.739 5.266 4.527 -0.000 0.000 0.333 244 F C -1.345 174.312 175.800 -0.239 0.000 1.138 244 F CA -0.746 56.922 58.000 -0.555 0.000 0.945 244 F CB 1.229 39.754 39.000 -0.791 0.000 1.181 244 F HN 0.487 nan 8.300 nan 0.000 0.435 245 L N 6.041 127.003 121.223 -0.436 0.000 2.333 245 L HA 0.572 4.912 4.340 -0.000 0.000 0.280 245 L C -0.633 176.044 176.870 -0.321 0.000 1.004 245 L CA -1.095 53.610 54.840 -0.225 0.000 0.820 245 L CB 1.862 43.813 42.059 -0.180 0.000 1.247 245 L HN 0.487 nan 8.230 nan 0.000 0.416 246 R N 3.743 124.207 120.500 -0.059 0.000 2.215 246 R HA 0.634 4.974 4.340 -0.000 0.000 0.337 246 R C -1.233 174.954 176.300 -0.189 0.000 1.010 246 R CA -0.071 56.001 56.100 -0.048 0.000 0.871 246 R CB 0.301 30.689 30.300 0.146 0.000 1.134 246 R HN 0.591 nan 8.270 nan 0.000 0.477 247 L N 2.732 123.788 121.223 -0.279 0.000 2.376 247 L HA 0.433 4.773 4.340 -0.000 0.000 0.267 247 L C 1.235 177.851 176.870 -0.424 0.000 1.035 247 L CA -0.803 53.752 54.840 -0.475 0.000 0.800 247 L CB 1.285 43.112 42.059 -0.387 0.000 1.290 247 L HN 0.653 nan 8.230 nan 0.000 0.462 248 E N -0.311 119.589 120.200 -0.501 0.000 2.274 248 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 248 E C 1.347 177.883 176.600 -0.107 0.000 0.996 248 E CA 0.980 57.238 56.400 -0.237 0.000 0.840 248 E CB 0.168 29.797 29.700 -0.119 0.000 0.772 248 E HN 0.516 nan 8.360 nan 0.000 0.491 249 Q N -0.645 119.096 119.800 -0.097 0.000 2.402 249 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 249 Q C 0.592 176.597 176.000 0.008 0.000 0.919 249 Q CA 0.608 56.410 55.803 -0.001 0.000 0.923 249 Q CB 1.558 30.333 28.738 0.062 0.000 1.048 249 Q HN 0.220 nan 8.270 nan 0.000 0.515 250 G N -1.025 107.755 108.800 -0.035 0.000 2.336 250 G HA2 0.580 4.540 3.960 -0.000 0.000 0.286 250 G HA3 0.580 4.540 3.960 -0.000 0.000 0.286 250 G C -1.829 173.050 174.900 -0.036 0.000 1.269 250 G CA -0.385 44.729 45.100 0.023 0.000 0.873 250 G HN 0.165 nan 8.290 nan 0.000 0.494 251 A N -0.838 121.971 122.820 -0.018 0.000 2.454 251 A HA 0.810 5.130 4.320 -0.000 0.000 0.302 251 A C -1.133 176.332 177.584 -0.197 0.000 1.079 251 A CA -0.614 51.313 52.037 -0.183 0.000 0.731 251 A CB 1.467 20.286 19.000 -0.302 0.000 1.299 251 A HN 0.875 nan 8.150 nan 0.000 0.413 252 I N 1.583 121.953 120.570 -0.333 0.000 2.378 252 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 252 I C -1.214 174.725 176.117 -0.296 0.000 0.992 252 I CA -0.580 60.593 61.300 -0.211 0.000 1.154 252 I CB 1.180 39.094 38.000 -0.142 0.000 1.315 252 I HN 0.378 nan 8.210 nan 0.000 0.448 253 L N 5.235 126.413 121.223 -0.076 0.000 2.337 253 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 253 L C 0.453 177.445 176.870 0.204 0.000 1.018 253 L CA 0.012 54.919 54.840 0.112 0.000 0.876 253 L CB 1.102 43.301 42.059 0.235 0.000 1.236 253 L HN 0.513 nan 8.230 nan 0.000 0.436 254 S N 3.475 119.307 115.700 0.220 0.000 2.457 254 S HA 0.514 4.984 4.470 -0.000 0.000 0.289 254 S C 0.321 175.068 174.600 0.244 0.000 1.163 254 S CA -0.529 57.790 58.200 0.197 0.000 1.078 254 S CB 0.425 63.707 63.200 0.137 0.000 0.987 254 S HN 0.415 nan 8.310 nan 0.000 0.482 255 L N 4.465 125.776 121.223 0.146 0.000 3.073 255 L HA 0.327 4.667 4.340 -0.000 0.000 0.242 255 L C 0.968 177.871 176.870 0.055 0.000 1.317 255 L CA 0.060 54.949 54.840 0.083 0.000 1.081 255 L CB -0.838 41.229 42.059 0.014 0.000 1.456 255 L HN 0.611 nan 8.230 nan 0.000 0.525 256 S N 2.832 118.580 115.700 0.079 0.000 2.549 256 S HA 0.304 4.774 4.470 -0.000 0.000 0.279 256 S C -1.342 173.280 174.600 0.037 0.000 1.321 256 S CA -0.622 57.599 58.200 0.035 0.000 1.054 256 S CB 0.963 64.192 63.200 0.048 0.000 0.899 256 S HN 0.229 nan 8.310 nan 0.000 0.497 257 P HA 0.216 nan 4.420 nan 0.000 0.268 257 P C -0.368 176.928 177.300 -0.006 0.000 1.329 257 P CA 0.065 63.100 63.100 -0.108 0.000 0.899 257 P CB 0.072 31.400 31.700 -0.621 0.000 1.378 258 E N 0.972 121.121 120.200 -0.084 0.000 2.133 258 E HA 0.264 4.614 4.350 -0.000 0.000 0.274 258 E C -0.311 176.033 176.600 -0.427 0.000 0.930 258 E CA -0.990 55.282 56.400 -0.213 0.000 0.770 258 E CB 1.052 30.627 29.700 -0.209 0.000 1.104 258 E HN -0.123 nan 8.360 nan 0.000 0.403 259 R N 4.579 124.651 120.500 -0.713 0.000 2.389 259 R HA 0.081 4.421 4.340 -0.000 0.000 0.295 259 R C -0.062 176.054 176.300 -0.308 0.000 1.075 259 R CA -0.233 55.339 56.100 -0.880 0.000 1.005 259 R CB 0.392 30.123 30.300 -0.948 0.000 0.987 259 R HN 0.555 nan 8.270 nan 0.000 0.452 260 F N 5.260 124.992 119.950 -0.363 0.000 2.173 260 F HA 0.346 4.873 4.527 0.000 0.000 0.271 260 F C 0.190 175.861 175.800 -0.216 0.000 1.153 260 F CA 0.453 58.312 58.000 -0.235 0.000 1.095 260 F CB 0.160 39.061 39.000 -0.166 0.000 1.055 260 F HN 0.350 nan 8.300 nan 0.000 0.519 261 I N 1.887 122.158 120.570 -0.499 0.000 2.466 261 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 261 I C -1.358 174.557 176.117 -0.336 0.000 1.026 261 I CA -1.021 59.958 61.300 -0.534 0.000 1.078 261 I CB 2.019 39.560 38.000 -0.765 0.000 1.249 261 I HN 0.108 nan 8.210 nan 0.000 0.429 262 L N 7.122 128.187 121.223 -0.264 0.000 2.312 262 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 262 L C -0.780 175.998 176.870 -0.154 0.000 1.070 262 L CA 0.124 54.854 54.840 -0.184 0.000 0.805 262 L CB 1.388 43.365 42.059 -0.137 0.000 1.174 262 L HN 0.769 nan 8.230 nan 0.000 0.434 263 C N 4.874 124.109 119.300 -0.108 0.000 2.534 263 C HA 0.532 4.992 4.460 -0.000 0.000 0.309 263 C C -1.003 173.990 174.990 0.004 0.000 1.072 263 C CA -0.687 58.288 59.018 -0.072 0.000 1.441 263 C CB -0.405 27.285 27.740 -0.084 0.000 1.906 263 C HN 0.871 nan 8.230 nan 0.000 0.429 264 D N 4.031 124.444 120.400 0.022 0.000 2.414 264 D HA 0.248 4.888 4.640 -0.000 0.000 0.232 264 D C 0.462 176.784 176.300 0.037 0.000 1.070 264 D CA 0.251 54.309 54.000 0.097 0.000 0.839 264 D CB 0.545 41.420 40.800 0.126 0.000 1.079 264 D HN 0.624 nan 8.370 nan 0.000 0.521 265 N N 3.274 121.984 118.700 0.016 0.000 2.714 265 N HA -0.307 4.433 4.740 -0.000 0.000 0.252 265 N C -0.420 175.018 175.510 -0.120 0.000 1.014 265 N CA 1.290 54.214 53.050 -0.209 0.000 0.735 265 N CB -1.216 36.904 38.487 -0.612 0.000 0.924 265 N HN 0.387 nan 8.380 nan 0.000 0.540 266 S N -2.621 113.041 115.700 -0.062 0.000 3.084 266 S HA -0.287 4.183 4.470 -0.000 0.000 0.277 266 S C -0.203 174.364 174.600 -0.055 0.000 1.295 266 S CA 1.245 59.410 58.200 -0.059 0.000 1.170 266 S CB -1.206 61.953 63.200 -0.068 0.000 1.412 266 S HN 0.982 nan 8.310 nan 0.000 0.669 267 E N 1.525 121.699 120.200 -0.044 0.000 2.109 267 E HA 0.608 4.958 4.350 -0.000 0.000 0.278 267 E C -0.264 176.308 176.600 -0.046 0.000 0.954 267 E CA -0.588 55.789 56.400 -0.038 0.000 0.779 267 E CB 0.475 30.164 29.700 -0.019 0.000 1.093 267 E HN 0.469 nan 8.360 nan 0.000 0.401 268 I N 4.020 124.551 120.570 -0.066 0.000 2.395 268 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 268 I C 0.240 176.299 176.117 -0.098 0.000 1.023 268 I CA -0.414 60.828 61.300 -0.097 0.000 1.350 268 I CB 1.045 38.980 38.000 -0.109 0.000 1.409 268 I HN 0.597 nan 8.210 nan 0.000 0.507 269 Q N 4.626 124.348 119.800 -0.130 0.000 2.331 269 Q HA 0.457 4.797 4.340 -0.000 0.000 0.272 269 Q C -1.368 174.522 176.000 -0.184 0.000 1.062 269 Q CA -0.522 55.200 55.803 -0.134 0.000 0.806 269 Q CB 2.771 31.429 28.738 -0.133 0.000 1.312 269 Q HN 0.670 nan 8.270 nan 0.000 0.431 270 T N 2.844 117.299 114.554 -0.165 0.000 2.921 270 T HA 0.560 4.910 4.350 -0.000 0.000 0.297 270 T C -1.264 173.369 174.700 -0.113 0.000 1.013 270 T CA -0.487 61.506 62.100 -0.178 0.000 0.990 270 T CB 0.840 69.596 68.868 -0.187 0.000 1.023 270 T HN 0.655 nan 8.240 nan 0.000 0.447 271 R N 4.713 125.151 120.500 -0.103 0.000 2.651 271 R HA 0.304 4.644 4.340 -0.000 0.000 0.282 271 R C -2.627 173.643 176.300 -0.050 0.000 1.565 271 R CA -1.728 54.340 56.100 -0.053 0.000 1.661 271 R CB 1.096 31.377 30.300 -0.031 0.000 1.189 271 R HN 0.474 nan 8.270 nan 0.000 0.621 272 P HA 0.013 nan 4.420 nan 0.000 0.268 272 P C -0.139 177.127 177.300 -0.057 0.000 1.204 272 P CA 0.370 63.447 63.100 -0.038 0.000 0.768 272 P CB 1.031 32.724 31.700 -0.010 0.000 0.842 273 I N 3.793 124.298 120.570 -0.109 0.000 2.359 273 I HA 0.344 4.514 4.170 -0.000 0.000 0.294 273 I C 0.652 176.734 176.117 -0.058 0.000 0.987 273 I CA -0.356 60.858 61.300 -0.143 0.000 1.225 273 I CB 1.094 38.904 38.000 -0.315 0.000 1.366 273 I HN 0.055 nan 8.210 nan 0.000 0.466 274 K N 4.408 124.814 120.400 0.009 0.000 2.656 274 K HA 0.598 4.918 4.320 -0.000 0.000 0.253 274 K C -0.754 175.897 176.600 0.086 0.000 1.002 274 K CA -0.487 55.827 56.287 0.046 0.000 0.880 274 K CB 1.788 34.323 32.500 0.058 0.000 1.232 274 K HN 0.866 nan 8.250 nan 0.000 0.456 275 G N 1.663 110.517 108.800 0.091 0.000 2.906 275 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 275 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 275 G C -0.725 174.262 174.900 0.144 0.000 1.170 275 G CA -0.334 44.830 45.100 0.106 0.000 0.775 275 G HN 0.882 nan 8.290 nan 0.000 0.630 276 T N -1.460 113.178 114.554 0.140 0.000 2.786 276 T HA 0.798 5.148 4.350 -0.000 0.000 0.316 276 T C -1.456 173.324 174.700 0.134 0.000 1.503 276 T CA -0.988 61.212 62.100 0.165 0.000 1.019 276 T CB 2.131 71.096 68.868 0.161 0.000 1.415 276 T HN 1.575 nan 8.240 nan 0.000 0.496 277 L N 1.311 122.628 121.223 0.157 0.000 2.424 277 L HA 0.806 5.146 4.340 -0.000 0.000 0.258 277 L C -2.508 174.454 176.870 0.153 0.000 0.995 277 L CA -2.124 52.797 54.840 0.134 0.000 0.821 277 L CB 2.099 44.228 42.059 0.117 0.000 1.383 277 L HN 0.574 nan 8.230 nan 0.000 0.410 278 P HA 0.311 nan 4.420 nan 0.000 0.274 278 P C -0.222 177.152 177.300 0.122 0.000 1.246 278 P CA -0.664 62.490 63.100 0.090 0.000 0.795 278 P CB 0.570 32.303 31.700 0.055 0.000 1.006 295 N N 0.477 119.146 118.700 -0.050 0.000 2.184 295 N HA 0.028 4.768 4.740 -0.000 0.000 0.206 295 N C 0.372 175.833 175.510 -0.081 0.000 1.151 295 N CA 0.571 53.582 53.050 -0.065 0.000 0.878 295 N CB 0.726 39.192 38.487 -0.035 0.000 1.014 295 N HN 0.605 nan 8.380 nan 0.000 0.512 296 S N 1.105 116.761 115.700 -0.072 0.000 2.964 296 S HA 0.064 4.534 4.470 -0.000 0.000 0.356 296 S C 1.533 176.080 174.600 -0.088 0.000 1.118 296 S CA -0.043 58.122 58.200 -0.057 0.000 1.581 296 S CB 0.518 63.698 63.200 -0.033 0.000 1.227 296 S HN 0.267 nan 8.310 nan 0.000 0.594 297 A N 3.602 126.380 122.820 -0.069 0.000 1.948 297 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 297 A C 2.263 179.814 177.584 -0.055 0.000 1.177 297 A CA 1.417 53.410 52.037 -0.073 0.000 0.636 297 A CB -0.400 18.577 19.000 -0.038 0.000 0.815 297 A HN 0.618 nan 8.150 nan 0.000 0.449 298 K N -0.443 119.945 120.400 -0.021 0.000 2.228 298 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 298 K C 1.015 177.618 176.600 0.004 0.000 1.051 298 K CA 1.625 57.915 56.287 0.005 0.000 0.960 298 K CB -0.234 32.287 32.500 0.035 0.000 0.743 298 K HN 0.565 nan 8.250 nan 0.000 0.458 299 D N -0.047 120.343 120.400 -0.016 0.000 2.162 299 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 299 D C 0.501 176.765 176.300 -0.060 0.000 0.964 299 D CA 0.668 54.667 54.000 -0.002 0.000 0.847 299 D CB 0.148 40.960 40.800 0.019 0.000 0.988 299 D HN 0.189 nan 8.370 nan 0.000 0.480 300 R N 0.242 120.627 120.500 -0.192 0.000 3.657 300 R HA 0.680 5.020 4.340 -0.000 0.000 0.220 300 R C -0.102 175.971 176.300 -0.379 0.000 1.548 300 R CA -0.059 55.731 56.100 -0.518 0.000 1.465 300 R CB 0.544 30.251 30.300 -0.988 0.000 1.330 300 R HN 0.065 nan 8.270 nan 0.000 0.707 301 A N 1.283 124.030 122.820 -0.122 0.000 2.127 301 A HA -0.098 4.222 4.320 -0.000 0.000 0.175 301 A C 1.466 179.096 177.584 0.076 0.000 2.115 301 A CA 0.027 52.073 52.037 0.015 0.000 1.590 301 A CB -0.378 18.626 19.000 0.006 0.000 1.457 301 A HN 0.498 nan 8.150 nan 0.000 0.310 302 E N 0.672 120.907 120.200 0.058 0.000 2.107 302 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 302 E C 1.875 178.539 176.600 0.107 0.000 0.982 302 E CA 1.047 57.498 56.400 0.084 0.000 0.809 302 E CB -0.135 29.608 29.700 0.072 0.000 0.756 302 E HN 0.579 nan 8.360 nan 0.000 0.459 303 N N 0.951 119.730 118.700 0.131 0.000 2.043 303 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 303 N C 2.110 177.750 175.510 0.217 0.000 1.037 303 N CA 1.049 54.210 53.050 0.185 0.000 0.851 303 N CB -0.283 38.369 38.487 0.276 0.000 1.027 303 N HN 0.272 nan 8.380 nan 0.000 0.422 304 L N 0.827 122.231 121.223 0.301 0.000 2.081 304 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 304 L C 2.408 179.379 176.870 0.168 0.000 1.080 304 L CA 1.089 56.078 54.840 0.248 0.000 0.754 304 L CB -0.174 42.067 42.059 0.303 0.000 0.893 304 L HN 0.305 nan 8.230 nan 0.000 0.433 305 M N -1.175 118.530 119.600 0.175 0.000 2.213 305 M HA -0.222 4.258 4.480 -0.000 0.000 0.263 305 M C 1.968 178.334 176.300 0.111 0.000 1.062 305 M CA 1.241 56.665 55.300 0.206 0.000 1.105 305 M CB -0.246 32.502 32.600 0.247 0.000 1.385 305 M HN 0.206 nan 8.290 nan 0.000 0.417 306 I N -0.398 120.214 120.570 0.070 0.000 2.333 306 I HA -0.125 4.045 4.170 -0.000 0.000 0.246 306 I C 2.477 178.614 176.117 0.033 0.000 1.106 306 I CA 0.986 62.302 61.300 0.026 0.000 1.411 306 I CB -1.267 36.745 38.000 0.021 0.000 1.082 306 I HN 0.070 nan 8.210 nan 0.000 0.420 307 V N 1.473 121.418 119.914 0.051 0.000 2.255 307 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 307 V C 2.237 178.347 176.094 0.025 0.000 1.051 307 V CA 2.084 64.399 62.300 0.026 0.000 1.018 307 V CB -0.715 31.116 31.823 0.012 0.000 0.641 307 V HN 0.342 nan 8.190 nan 0.000 0.445 308 D N -0.259 120.173 120.400 0.052 0.000 2.149 308 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 308 D C 1.972 178.299 176.300 0.044 0.000 0.990 308 D CA 1.162 55.195 54.000 0.054 0.000 0.839 308 D CB -0.300 40.558 40.800 0.096 0.000 0.948 308 D HN 0.330 nan 8.370 nan 0.000 0.460 309 L N 0.630 121.876 121.223 0.039 0.000 1.989 309 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 309 L C 2.083 178.955 176.870 0.005 0.000 1.071 309 L CA 1.646 56.495 54.840 0.015 0.000 0.749 309 L CB -0.706 41.345 42.059 -0.012 0.000 0.890 309 L HN -0.082 nan 8.230 nan 0.000 0.431 310 M N -0.650 118.952 119.600 0.004 0.000 2.080 310 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 310 M C 2.372 178.659 176.300 -0.022 0.000 1.068 310 M CA 1.485 56.781 55.300 -0.007 0.000 1.109 310 M CB -1.402 31.192 32.600 -0.008 0.000 1.342 310 M HN 0.269 nan 8.290 nan 0.000 0.405 311 R N -0.005 120.485 120.500 -0.016 0.000 2.134 311 R HA -0.212 4.128 4.340 -0.000 0.000 0.248 311 R C 2.136 178.423 176.300 -0.020 0.000 1.143 311 R CA 1.806 57.893 56.100 -0.020 0.000 0.957 311 R CB -0.720 29.574 30.300 -0.010 0.000 0.867 311 R HN 0.572 nan 8.270 nan 0.000 0.441 312 N N 0.305 119.000 118.700 -0.008 0.000 2.171 312 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 312 N C 1.091 176.589 175.510 -0.020 0.000 1.021 312 N CA 1.140 54.185 53.050 -0.009 0.000 0.854 312 N CB 0.046 38.536 38.487 0.006 0.000 0.994 312 N HN 0.122 nan 8.380 nan 0.000 0.426 313 D N 1.410 121.797 120.400 -0.020 0.000 2.084 313 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 313 D C 1.993 178.261 176.300 -0.054 0.000 0.990 313 D CA 0.866 54.849 54.000 -0.028 0.000 0.826 313 D CB -0.314 40.480 40.800 -0.009 0.000 0.971 313 D HN 0.445 nan 8.370 nan 0.000 0.453 314 I N -1.026 119.503 120.570 -0.068 0.000 2.617 314 I HA 0.043 4.213 4.170 -0.000 0.000 0.256 314 I C 1.845 177.919 176.117 -0.071 0.000 1.167 314 I CA 1.365 62.609 61.300 -0.092 0.000 1.469 314 I CB -1.438 36.495 38.000 -0.112 0.000 1.098 314 I HN -0.098 nan 8.210 nan 0.000 0.436 315 G N 1.873 110.641 108.800 -0.053 0.000 2.776 315 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 315 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 315 G C 1.717 176.592 174.900 -0.043 0.000 1.145 315 G CA 0.317 45.389 45.100 -0.046 0.000 0.791 315 G HN 0.597 nan 8.290 nan 0.000 0.530 316 R N -0.365 120.107 120.500 -0.046 0.000 2.276 316 R HA 0.167 4.507 4.340 -0.000 0.000 0.203 316 R C 0.902 177.172 176.300 -0.051 0.000 1.017 316 R CA 0.738 56.812 56.100 -0.044 0.000 1.010 316 R CB 0.062 30.336 30.300 -0.043 0.000 0.900 316 R HN 0.218 nan 8.270 nan 0.000 0.469 317 V N 0.279 120.157 119.914 -0.061 0.000 3.485 317 V HA 0.316 4.436 4.120 -0.000 0.000 0.280 317 V C 0.752 176.809 176.094 -0.062 0.000 1.495 317 V CA 0.405 62.667 62.300 -0.064 0.000 1.018 317 V CB 0.810 32.586 31.823 -0.078 0.000 0.818 317 V HN 0.411 nan 8.190 nan 0.000 0.436 318 A N 0.278 123.061 122.820 -0.061 0.000 2.327 318 A HA 0.476 4.796 4.320 -0.000 0.000 0.255 318 A C 0.181 177.736 177.584 -0.049 0.000 1.099 318 A CA 0.012 52.013 52.037 -0.059 0.000 0.801 318 A CB 0.301 19.265 19.000 -0.060 0.000 1.062 318 A HN 0.110 nan 8.150 nan 0.000 0.496 319 V N 1.685 121.571 119.914 -0.048 0.000 2.540 319 V HA 0.170 4.290 4.120 -0.000 0.000 0.297 319 V C 1.862 177.935 176.094 -0.035 0.000 1.024 319 V CA 0.688 62.964 62.300 -0.041 0.000 1.105 319 V CB -0.094 31.705 31.823 -0.040 0.000 0.938 319 V HN 1.230 nan 8.190 nan 0.000 0.482 320 A N 4.935 127.736 122.820 -0.031 0.000 1.935 320 A HA -0.228 4.092 4.320 -0.000 0.000 0.224 320 A C 1.812 179.381 177.584 -0.025 0.000 1.324 320 A CA 2.516 54.538 52.037 -0.026 0.000 0.686 320 A CB -0.841 18.145 19.000 -0.023 0.000 0.837 320 A HN 1.330 nan 8.150 nan 0.000 0.481 321 G N -1.861 106.925 108.800 -0.024 0.000 4.250 321 G HA2 0.375 4.335 3.960 -0.000 0.000 0.295 321 G HA3 0.375 4.335 3.960 -0.000 0.000 0.295 321 G C 0.761 175.646 174.900 -0.024 0.000 1.081 321 G CA 1.035 46.122 45.100 -0.022 0.000 0.854 321 G HN 0.833 nan 8.290 nan 0.000 0.524 322 S N -0.686 114.997 115.700 -0.028 0.000 2.561 322 S HA 0.090 4.560 4.470 -0.000 0.000 0.225 322 S C 0.823 175.404 174.600 -0.032 0.000 0.977 322 S CA -0.101 58.081 58.200 -0.030 0.000 0.926 322 S CB 0.232 63.411 63.200 -0.035 0.000 0.769 322 S HN 0.019 nan 8.310 nan 0.000 0.533 323 V N 2.602 122.496 119.914 -0.032 0.000 2.488 323 V HA 0.339 4.459 4.120 -0.000 0.000 0.277 323 V C 0.180 176.255 176.094 -0.030 0.000 1.046 323 V CA -0.124 62.156 62.300 -0.035 0.000 0.986 323 V CB 0.753 32.555 31.823 -0.035 0.000 0.989 323 V HN 0.392 nan 8.190 nan 0.000 0.475 324 K N 3.230 123.611 120.400 -0.032 0.000 2.395 324 K HA 0.762 5.082 4.320 -0.000 0.000 0.245 324 K C -1.330 175.249 176.600 -0.035 0.000 1.017 324 K CA -0.911 55.359 56.287 -0.029 0.000 0.852 324 K CB 2.578 35.064 32.500 -0.023 0.000 1.311 324 K HN 0.283 nan 8.250 nan 0.000 0.452 325 V N 2.813 122.704 119.914 -0.039 0.000 2.361 325 V HA 0.123 4.242 4.120 -0.000 0.000 0.252 325 V C -1.724 174.338 176.094 -0.054 0.000 0.986 325 V CA -1.035 61.233 62.300 -0.054 0.000 1.033 325 V CB 0.540 32.319 31.823 -0.073 0.000 1.282 325 V HN 0.727 nan 8.190 nan 0.000 0.514 326 P HA -0.058 nan 4.420 nan 0.000 0.221 326 P C 0.349 177.632 177.300 -0.029 0.000 1.145 326 P CA 1.254 64.342 63.100 -0.020 0.000 0.795 326 P CB 0.803 32.504 31.700 0.003 0.000 0.775 327 E N -0.568 119.604 120.200 -0.047 0.000 2.321 327 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 327 E C -0.895 175.624 176.600 -0.134 0.000 0.902 327 E CA -0.620 55.746 56.400 -0.057 0.000 0.758 327 E CB 2.209 31.910 29.700 0.001 0.000 1.213 327 E HN 0.022 nan 8.360 nan 0.000 0.426 328 L N 2.308 123.394 121.223 -0.228 0.000 2.381 328 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 328 L C -0.539 176.185 176.870 -0.243 0.000 0.997 328 L CA -0.945 53.577 54.840 -0.529 0.000 0.818 328 L CB 1.129 42.544 42.059 -1.073 0.000 1.310 328 L HN 0.477 nan 8.230 nan 0.000 0.416 329 F N 1.424 121.408 119.950 0.057 0.000 2.635 329 F HA -0.193 4.335 4.527 0.000 0.000 0.228 329 F C -0.244 175.597 175.800 0.069 0.000 1.029 329 F CA 0.079 58.117 58.000 0.064 0.000 0.907 329 F CB -1.852 37.178 39.000 0.050 0.000 0.893 329 F HN 0.055 nan 8.300 nan 0.000 0.845 330 V N 1.530 121.590 119.914 0.243 0.000 2.435 330 V HA 0.684 4.804 4.120 -0.000 0.000 0.290 330 V C -0.094 176.124 176.094 0.207 0.000 1.030 330 V CA -0.801 61.609 62.300 0.183 0.000 0.881 330 V CB 2.117 34.026 31.823 0.143 0.000 0.983 330 V HN 0.375 nan 8.190 nan 0.000 0.445 331 V N 4.983 124.995 119.914 0.164 0.000 2.612 331 V HA 0.692 4.812 4.120 -0.000 0.000 0.301 331 V C -0.412 175.788 176.094 0.177 0.000 1.046 331 V CA -0.186 62.233 62.300 0.197 0.000 0.946 331 V CB 1.842 33.752 31.823 0.145 0.000 1.003 331 V HN 0.986 nan 8.190 nan 0.000 0.459 332 E N 6.037 126.359 120.200 0.204 0.000 2.234 332 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 332 E C -2.862 173.702 176.600 -0.059 0.000 0.877 332 E CA -2.129 54.317 56.400 0.077 0.000 0.758 332 E CB 2.396 32.247 29.700 0.253 0.000 1.170 332 E HN 0.606 nan 8.360 nan 0.000 0.415 333 P HA 0.296 nan 4.420 nan 0.000 0.293 333 P C -1.253 175.714 177.300 -0.554 0.000 1.300 333 P CA -0.234 62.689 63.100 -0.296 0.000 0.792 333 P CB 0.390 31.972 31.700 -0.197 0.000 0.925 334 F N 3.795 123.573 119.950 -0.286 0.000 2.593 334 F HA 0.423 4.951 4.527 0.000 0.000 0.320 334 F C -1.384 174.320 175.800 -0.160 0.000 1.060 334 F CA -2.080 55.819 58.000 -0.167 0.000 0.940 334 F CB 1.364 40.294 39.000 -0.117 0.000 1.268 334 F HN 0.204 nan 8.300 nan 0.000 0.475 335 P HA -0.314 nan 4.420 nan 0.000 0.216 335 P C 1.069 178.369 177.300 -0.000 0.000 1.167 335 P CA 3.161 66.274 63.100 0.021 0.000 0.933 335 P CB 0.047 31.783 31.700 0.060 0.000 0.793 336 A N -2.179 120.663 122.820 0.038 0.000 1.970 336 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 336 A C 1.078 178.664 177.584 0.003 0.000 1.170 336 A CA 1.236 53.280 52.037 0.011 0.000 0.645 336 A CB -0.256 18.757 19.000 0.022 0.000 0.816 336 A HN 0.165 nan 8.150 nan 0.000 0.447 337 V N -1.532 118.384 119.914 0.004 0.000 3.258 337 V HA 0.283 4.403 4.120 -0.000 0.000 0.299 337 V C -1.569 174.486 176.094 -0.064 0.000 1.376 337 V CA -1.073 61.232 62.300 0.009 0.000 1.063 337 V CB 1.991 33.864 31.823 0.082 0.000 1.103 337 V HN 0.458 nan 8.190 nan 0.000 0.451 338 H N 3.433 122.549 119.070 0.076 0.000 2.517 338 H HA 0.523 5.079 4.556 -0.000 0.000 0.317 338 H C -0.516 174.893 175.328 0.134 0.000 1.080 338 H CA -0.023 56.062 56.048 0.061 0.000 1.301 338 H CB 0.900 30.693 29.762 0.051 0.000 1.425 338 H HN 0.840 nan 8.280 nan 0.000 0.471 339 H N 1.505 120.752 119.070 0.296 0.000 2.797 339 H HA 0.404 4.960 4.556 -0.000 0.000 0.372 339 H C -1.273 174.178 175.328 0.205 0.000 1.168 339 H CA -1.174 55.001 56.048 0.213 0.000 1.163 339 H CB 2.105 31.967 29.762 0.167 0.000 1.778 339 H HN 0.262 nan 8.280 nan 0.000 0.551 340 L N 2.737 124.188 121.223 0.380 0.000 2.296 340 L HA 0.372 4.712 4.340 -0.000 0.000 0.286 340 L C -1.069 175.938 176.870 0.228 0.000 1.023 340 L CA -0.483 54.532 54.840 0.292 0.000 0.812 340 L CB 1.229 43.416 42.059 0.214 0.000 1.223 340 L HN 0.560 nan 8.230 nan 0.000 0.421 341 V N 3.518 123.578 119.914 0.243 0.000 2.864 341 V HA 0.730 4.850 4.120 -0.000 0.000 0.314 341 V C -0.046 176.125 176.094 0.128 0.000 1.073 341 V CA -0.562 61.825 62.300 0.146 0.000 0.956 341 V CB 2.043 33.955 31.823 0.148 0.000 1.023 341 V HN 0.861 nan 8.190 nan 0.000 0.435 342 S N 0.807 116.548 115.700 0.067 0.000 2.671 342 S HA 0.806 5.276 4.470 -0.000 0.000 0.299 342 S C -0.592 174.011 174.600 0.005 0.000 1.116 342 S CA -0.625 57.579 58.200 0.006 0.000 0.912 342 S CB 2.207 65.378 63.200 -0.048 0.000 1.130 342 S HN 0.820 nan 8.310 nan 0.000 0.501 343 T N 1.579 116.123 114.554 -0.016 0.000 2.881 343 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 343 T C -1.040 173.639 174.700 -0.035 0.000 1.000 343 T CA -0.315 61.778 62.100 -0.011 0.000 0.978 343 T CB 0.763 69.646 68.868 0.025 0.000 0.997 343 T HN 0.364 nan 8.240 nan 0.000 0.443 344 I N 1.870 122.414 120.570 -0.043 0.000 2.545 344 I HA 0.582 4.752 4.170 -0.000 0.000 0.292 344 I C 0.171 176.253 176.117 -0.057 0.000 1.040 344 I CA -0.352 60.917 61.300 -0.051 0.000 1.068 344 I CB 2.515 40.482 38.000 -0.054 0.000 1.251 344 I HN 0.530 nan 8.210 nan 0.000 0.424 345 T N 3.716 118.241 114.554 -0.049 0.000 2.916 345 T HA 0.962 5.312 4.350 -0.000 0.000 0.292 345 T C -0.674 173.995 174.700 -0.052 0.000 1.055 345 T CA -0.526 61.545 62.100 -0.049 0.000 1.009 345 T CB 2.134 70.986 68.868 -0.028 0.000 1.118 345 T HN 0.819 nan 8.240 nan 0.000 0.497 346 A N 1.358 124.144 122.820 -0.056 0.000 2.483 346 A HA 0.763 5.083 4.320 -0.000 0.000 0.306 346 A C -2.133 175.418 177.584 -0.054 0.000 1.137 346 A CA -0.729 51.275 52.037 -0.055 0.000 0.626 346 A CB 1.257 20.218 19.000 -0.065 0.000 1.352 346 A HN 0.498 nan 8.150 nan 0.000 0.508 347 Q N 0.126 119.894 119.800 -0.054 0.000 2.323 347 Q HA 0.468 4.808 4.340 -0.000 0.000 0.271 347 Q C -1.618 174.346 176.000 -0.061 0.000 1.048 347 Q CA -0.710 55.061 55.803 -0.053 0.000 0.792 347 Q CB 2.062 30.773 28.738 -0.045 0.000 1.280 347 Q HN 0.717 nan 8.270 nan 0.000 0.441 348 L N 4.788 125.971 121.223 -0.066 0.000 2.410 348 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 348 L C -2.309 174.520 176.870 -0.068 0.000 1.152 348 L CA -1.003 53.795 54.840 -0.071 0.000 0.855 348 L CB 0.411 42.426 42.059 -0.073 0.000 1.129 348 L HN 0.343 nan 8.230 nan 0.000 0.463 349 P HA 0.094 nan 4.420 nan 0.000 0.271 349 P C -0.012 177.241 177.300 -0.080 0.000 1.216 349 P CA -0.160 62.900 63.100 -0.066 0.000 0.776 349 P CB 0.463 32.126 31.700 -0.061 0.000 0.881 350 E N 1.471 121.627 120.200 -0.074 0.000 2.333 350 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 350 E C 1.038 177.574 176.600 -0.107 0.000 1.007 350 E CA 1.039 57.388 56.400 -0.084 0.000 0.845 350 E CB -0.006 29.655 29.700 -0.065 0.000 0.766 350 E HN 0.616 nan 8.360 nan 0.000 0.507 351 Q N -0.005 119.735 119.800 -0.099 0.000 2.360 351 Q HA 0.169 4.509 4.340 -0.000 0.000 0.202 351 Q C 0.423 176.330 176.000 -0.155 0.000 0.915 351 Q CA 0.035 55.769 55.803 -0.115 0.000 0.943 351 Q CB 0.499 29.193 28.738 -0.074 0.000 1.064 351 Q HN 0.183 nan 8.270 nan 0.000 0.511 352 L N -0.931 120.194 121.223 -0.162 0.000 2.286 352 L HA 0.421 4.761 4.340 -0.000 0.000 0.265 352 L C -0.517 176.204 176.870 -0.250 0.000 1.012 352 L CA -0.970 53.772 54.840 -0.164 0.000 0.818 352 L CB 1.525 43.533 42.059 -0.084 0.000 1.337 352 L HN 0.078 nan 8.230 nan 0.000 0.438 353 H N -0.864 118.180 119.070 -0.044 0.000 2.525 353 H HA 0.316 4.872 4.556 -0.000 0.000 0.340 353 H C 0.634 175.924 175.328 -0.064 0.000 1.168 353 H CA 0.093 56.116 56.048 -0.042 0.000 1.247 353 H CB 1.810 31.552 29.762 -0.034 0.000 1.568 353 H HN 0.716 nan 8.280 nan 0.000 0.536 354 A N 1.240 124.109 122.820 0.081 0.000 1.917 354 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 354 A C 2.325 179.876 177.584 -0.054 0.000 1.182 354 A CA 2.239 54.266 52.037 -0.016 0.000 0.633 354 A CB -1.150 17.834 19.000 -0.025 0.000 0.819 354 A HN 0.777 nan 8.150 nan 0.000 0.448 355 S N 0.186 115.874 115.700 -0.019 0.000 2.400 355 S HA -0.210 4.260 4.470 -0.000 0.000 0.232 355 S C 1.332 175.869 174.600 -0.106 0.000 1.025 355 S CA 1.443 59.587 58.200 -0.092 0.000 0.993 355 S CB -0.597 62.550 63.200 -0.090 0.000 0.808 355 S HN 0.585 nan 8.310 nan 0.000 0.478 356 D N 1.331 121.701 120.400 -0.051 0.000 2.218 356 D HA -0.032 4.608 4.640 -0.000 0.000 0.204 356 D C 1.814 178.036 176.300 -0.131 0.000 0.976 356 D CA 0.912 54.861 54.000 -0.085 0.000 0.853 356 D CB -0.280 40.497 40.800 -0.038 0.000 0.939 356 D HN 0.452 nan 8.370 nan 0.000 0.481 357 L N 0.560 121.707 121.223 -0.128 0.000 2.095 357 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 357 L C 2.059 178.812 176.870 -0.195 0.000 1.080 357 L CA 1.112 55.859 54.840 -0.155 0.000 0.759 357 L CB -0.614 41.352 42.059 -0.154 0.000 0.914 357 L HN -0.068 nan 8.230 nan 0.000 0.439 358 L N 0.063 121.155 121.223 -0.218 0.000 2.017 358 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 358 L C 2.745 179.489 176.870 -0.210 0.000 1.073 358 L CA 1.909 56.612 54.840 -0.228 0.000 0.745 358 L CB -0.812 41.054 42.059 -0.321 0.000 0.894 358 L HN 0.359 nan 8.230 nan 0.000 0.432 359 R N -0.715 119.593 120.500 -0.320 0.000 2.127 359 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 359 R C 2.023 178.075 176.300 -0.414 0.000 1.134 359 R CA 1.240 57.022 56.100 -0.531 0.000 0.975 359 R CB -0.281 29.717 30.300 -0.503 0.000 0.865 359 R HN 0.556 nan 8.270 nan 0.000 0.447 360 A N -0.174 122.508 122.820 -0.231 0.000 2.014 360 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 360 A C 1.868 179.405 177.584 -0.077 0.000 1.163 360 A CA 1.327 53.274 52.037 -0.150 0.000 0.652 360 A CB -0.067 18.862 19.000 -0.119 0.000 0.808 360 A HN 0.429 nan 8.150 nan 0.000 0.449 361 A N -2.063 120.736 122.820 -0.034 0.000 2.390 361 A HA 0.502 4.822 4.320 -0.000 0.000 0.232 361 A C 0.245 177.989 177.584 0.267 0.000 1.233 361 A CA -0.465 51.623 52.037 0.086 0.000 0.907 361 A CB -0.228 18.791 19.000 0.033 0.000 0.967 361 A HN 0.361 nan 8.150 nan 0.000 0.512 362 F N 2.620 122.621 119.950 0.084 0.000 2.412 362 F HA 0.477 5.003 4.527 -0.000 0.000 0.348 362 F C -1.937 173.883 175.800 0.034 0.000 1.102 362 F CA -2.148 55.904 58.000 0.088 0.000 1.196 362 F CB 1.080 40.140 39.000 0.100 0.000 1.144 362 F HN 0.051 nan 8.300 nan 0.000 0.541 363 P HA 0.236 nan 4.420 nan 0.000 0.278 363 P C -0.595 176.255 177.300 -0.750 0.000 1.266 363 P CA -0.450 61.779 63.100 -1.452 0.000 0.807 363 P CB 0.691 31.650 31.700 -1.235 0.000 1.094 364 G N -0.163 108.069 108.800 -0.947 0.000 2.305 364 G HA2 0.226 4.186 3.960 -0.000 0.000 0.243 364 G HA3 0.226 4.186 3.960 -0.000 0.000 0.243 364 G C 1.338 176.066 174.900 -0.287 0.000 1.288 364 G CA 0.075 44.775 45.100 -0.666 0.000 0.901 364 G HN 0.588 nan 8.290 nan 0.000 0.516 365 G N 0.953 109.696 108.800 -0.096 0.000 2.443 365 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 365 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 365 G C 2.058 176.899 174.900 -0.099 0.000 1.131 365 G CA 1.378 46.427 45.100 -0.085 0.000 0.775 365 G HN 0.969 nan 8.290 nan 0.000 0.547 366 S N 0.841 116.480 115.700 -0.102 0.000 2.474 366 S HA -0.040 4.430 4.470 -0.000 0.000 0.235 366 S C 1.820 176.348 174.600 -0.121 0.000 0.997 366 S CA 1.129 59.272 58.200 -0.095 0.000 0.949 366 S CB -0.264 62.885 63.200 -0.085 0.000 0.766 366 S HN 0.599 nan 8.310 nan 0.000 0.517 367 I N -0.011 120.455 120.570 -0.173 0.000 3.974 367 I HA 0.378 4.548 4.170 -0.000 0.000 0.334 367 I C 1.298 177.354 176.117 -0.101 0.000 1.437 367 I CA 0.104 61.302 61.300 -0.170 0.000 1.113 367 I CB -0.051 37.762 38.000 -0.311 0.000 1.063 367 I HN 0.279 nan 8.210 nan 0.000 0.400 368 T N -2.795 111.715 114.554 -0.074 0.000 3.151 368 T HA 0.574 4.924 4.350 -0.000 0.000 0.239 368 T C 1.295 175.960 174.700 -0.059 0.000 0.979 368 T CA 0.486 62.569 62.100 -0.027 0.000 1.194 368 T CB -0.289 68.563 68.868 -0.026 0.000 0.982 368 T HN 0.960 nan 8.240 nan 0.000 0.428 369 G N 1.920 110.663 108.800 -0.095 0.000 2.698 369 G HA2 0.418 4.378 3.960 -0.000 0.000 0.360 369 G HA3 0.418 4.378 3.960 -0.000 0.000 0.360 369 G C 0.061 174.829 174.900 -0.220 0.000 1.005 369 G CA -0.336 44.684 45.100 -0.134 0.000 1.293 369 G HN 1.166 nan 8.290 nan 0.000 0.590 370 A N 2.870 125.504 122.820 -0.310 0.000 2.617 370 A HA 0.380 4.700 4.320 -0.000 0.000 0.232 370 A C -1.034 176.208 177.584 -0.569 0.000 1.027 370 A CA 0.973 52.739 52.037 -0.452 0.000 0.806 370 A CB -0.049 18.520 19.000 -0.718 0.000 0.908 370 A HN 0.683 nan 8.150 nan 0.000 0.484 371 P HA 0.173 nan 4.420 nan 0.000 0.271 371 P C 0.523 177.759 177.300 -0.108 0.000 1.216 371 P CA -0.317 62.710 63.100 -0.121 0.000 0.771 371 P CB 0.844 32.534 31.700 -0.015 0.000 0.864 372 K N 2.238 122.585 120.400 -0.088 0.000 2.020 372 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 372 K C 1.638 178.201 176.600 -0.062 0.000 1.050 372 K CA 1.795 58.036 56.287 -0.077 0.000 0.929 372 K CB -0.644 31.817 32.500 -0.065 0.000 0.714 372 K HN 0.133 nan 8.250 nan 0.000 0.443 373 V N 0.804 120.690 119.914 -0.048 0.000 2.343 373 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 373 V C 2.370 178.431 176.094 -0.055 0.000 1.051 373 V CA 2.091 64.365 62.300 -0.043 0.000 1.036 373 V CB -0.569 31.236 31.823 -0.029 0.000 0.654 373 V HN 0.327 nan 8.190 nan 0.000 0.451 374 R N 1.082 121.542 120.500 -0.067 0.000 2.115 374 R HA -0.004 4.336 4.340 -0.000 0.000 0.230 374 R C 2.103 178.334 176.300 -0.116 0.000 1.111 374 R CA 1.683 57.725 56.100 -0.096 0.000 0.976 374 R CB -0.819 29.427 30.300 -0.090 0.000 0.870 374 R HN 0.437 nan 8.270 nan 0.000 0.445 375 A N 0.220 122.983 122.820 -0.096 0.000 1.898 375 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 375 A C 2.186 179.738 177.584 -0.053 0.000 1.181 375 A CA 1.540 53.522 52.037 -0.091 0.000 0.620 375 A CB -0.421 18.522 19.000 -0.095 0.000 0.819 375 A HN 0.394 nan 8.150 nan 0.000 0.442 376 M N -0.724 118.860 119.600 -0.027 0.000 2.374 376 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 376 M C 1.828 178.132 176.300 0.006 0.000 1.067 376 M CA 1.256 56.572 55.300 0.026 0.000 1.103 376 M CB -0.288 32.315 32.600 0.005 0.000 1.402 376 M HN 0.519 nan 8.290 nan 0.000 0.444 377 E N 0.569 120.740 120.200 -0.048 0.000 2.072 377 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 377 E C 1.879 178.429 176.600 -0.083 0.000 0.982 377 E CA 1.042 57.403 56.400 -0.064 0.000 0.803 377 E CB -0.022 29.622 29.700 -0.093 0.000 0.755 377 E HN 0.495 nan 8.360 nan 0.000 0.453 378 I N 0.957 121.443 120.570 -0.140 0.000 2.226 378 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 378 I C 2.306 178.401 176.117 -0.036 0.000 1.100 378 I CA 1.002 62.217 61.300 -0.141 0.000 1.374 378 I CB -0.234 37.636 38.000 -0.217 0.000 1.057 378 I HN 0.097 nan 8.210 nan 0.000 0.413 379 I N 0.968 121.527 120.570 -0.018 0.000 2.151 379 I HA -0.373 3.797 4.170 -0.000 0.000 0.243 379 I C 2.216 178.341 176.117 0.014 0.000 1.080 379 I CA 2.066 63.370 61.300 0.007 0.000 1.339 379 I CB -0.393 37.624 38.000 0.028 0.000 1.039 379 I HN 0.267 nan 8.210 nan 0.000 0.409 380 D N 0.124 120.541 120.400 0.029 0.000 2.219 380 D HA -0.246 4.394 4.640 -0.000 0.000 0.205 380 D C 2.101 178.410 176.300 0.016 0.000 0.970 380 D CA 1.088 55.107 54.000 0.032 0.000 0.851 380 D CB 0.071 40.894 40.800 0.038 0.000 0.943 380 D HN 0.424 nan 8.370 nan 0.000 0.488 381 E N -0.519 119.687 120.200 0.010 0.000 2.086 381 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 381 E C 1.939 178.556 176.600 0.027 0.000 0.975 381 E CA 0.518 56.931 56.400 0.022 0.000 0.813 381 E CB 0.025 29.743 29.700 0.030 0.000 0.768 381 E HN 0.348 nan 8.360 nan 0.000 0.457 382 L N 0.657 121.895 121.223 0.026 0.000 2.202 382 L HA 0.132 4.472 4.340 -0.000 0.000 0.205 382 L C 0.850 177.719 176.870 -0.002 0.000 1.083 382 L CA 0.246 55.096 54.840 0.017 0.000 0.790 382 L CB -0.172 41.898 42.059 0.019 0.000 0.942 382 L HN 0.034 nan 8.230 nan 0.000 0.452 383 E N 1.827 122.021 120.200 -0.010 0.000 2.351 383 E HA -0.006 4.344 4.350 -0.000 0.000 0.266 383 E C -1.506 175.075 176.600 -0.032 0.000 1.031 383 E CA -1.444 54.938 56.400 -0.031 0.000 0.911 383 E CB 0.884 30.557 29.700 -0.046 0.000 0.986 383 E HN 0.062 nan 8.360 nan 0.000 0.446 384 P HA -0.143 nan 4.420 nan 0.000 0.222 384 P C -0.278 176.995 177.300 -0.045 0.000 1.147 384 P CA 1.227 64.305 63.100 -0.036 0.000 0.790 384 P CB 0.416 32.091 31.700 -0.042 0.000 0.780 385 Q N -1.645 118.115 119.800 -0.065 0.000 2.484 385 Q HA 0.421 4.761 4.340 -0.000 0.000 0.285 385 Q C -0.145 175.820 176.000 -0.059 0.000 1.097 385 Q CA -0.747 55.014 55.803 -0.071 0.000 0.802 385 Q CB 1.882 30.552 28.738 -0.112 0.000 1.444 385 Q HN -0.114 nan 8.270 nan 0.000 0.429 386 R N 0.578 121.056 120.500 -0.037 0.000 2.641 386 R HA 0.207 4.547 4.340 -0.000 0.000 0.269 386 R C 0.610 176.901 176.300 -0.015 0.000 1.074 386 R CA 0.038 56.142 56.100 0.007 0.000 1.133 386 R CB 0.519 30.844 30.300 0.042 0.000 1.029 386 R HN 0.500 nan 8.270 nan 0.000 0.488 387 R N 1.272 121.789 120.500 0.028 0.000 2.193 387 R HA -0.114 4.226 4.340 -0.000 0.000 0.213 387 R C 1.209 177.580 176.300 0.119 0.000 1.055 387 R CA 0.280 56.405 56.100 0.043 0.000 0.995 387 R CB -0.321 29.936 30.300 -0.071 0.000 0.893 387 R HN 0.773 nan 8.270 nan 0.000 0.459 388 N N 0.089 118.867 118.700 0.131 0.000 1.276 388 N HA -0.374 4.366 4.740 -0.000 0.000 0.137 388 N C 0.902 176.510 175.510 0.163 0.000 0.642 388 N CA 2.150 55.272 53.050 0.120 0.000 0.986 388 N CB -1.158 37.352 38.487 0.039 0.000 1.277 388 N HN 0.238 nan 8.380 nan 0.000 0.495 389 A N -0.271 122.629 122.820 0.134 0.000 2.066 389 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 389 A C 0.803 178.491 177.584 0.173 0.000 1.157 389 A CA 0.901 53.019 52.037 0.135 0.000 0.670 389 A CB -0.533 18.522 19.000 0.092 0.000 0.804 389 A HN 0.530 nan 8.150 nan 0.000 0.453 390 W N -1.512 119.794 121.300 0.010 0.000 2.216 390 W HA 0.329 4.989 4.660 0.000 0.000 0.326 390 W C 0.564 177.056 176.519 -0.045 0.000 1.319 390 W CA 0.540 57.874 57.345 -0.019 0.000 1.213 390 W CB 0.220 29.655 29.460 -0.042 0.000 1.171 390 W HN 0.328 nan 8.180 nan 0.000 0.557 391 C N 4.439 123.144 119.300 -0.993 0.000 4.358 391 C HA -0.163 4.297 4.460 -0.000 0.000 0.287 391 C C 1.211 176.013 174.990 -0.313 0.000 1.414 391 C CA 0.838 59.337 59.018 -0.866 0.000 1.949 391 C CB -2.206 24.783 27.740 -1.251 0.000 1.274 391 C HN 1.006 nan 8.230 nan 0.000 0.793 392 G N -0.673 108.068 108.800 -0.098 0.000 2.782 392 G HA2 0.715 4.675 3.960 -0.000 0.000 0.201 392 G HA3 0.715 4.675 3.960 -0.000 0.000 0.201 392 G C -0.349 174.618 174.900 0.111 0.000 1.374 392 G CA 0.544 45.729 45.100 0.143 0.000 1.039 392 G HN 0.614 nan 8.290 nan 0.000 0.576 393 S N -1.289 114.611 115.700 0.333 0.000 2.564 393 S HA 0.619 5.089 4.470 -0.000 0.000 0.274 393 S C -1.014 173.777 174.600 0.319 0.000 1.124 393 S CA -0.339 58.030 58.200 0.282 0.000 0.869 393 S CB 1.782 65.226 63.200 0.406 0.000 1.105 393 S HN 0.441 nan 8.310 nan 0.000 0.472 394 I N 1.331 122.037 120.570 0.225 0.000 2.569 394 I HA 0.807 4.977 4.170 -0.000 0.000 0.296 394 I C 0.492 176.732 176.117 0.205 0.000 1.028 394 I CA -0.227 61.179 61.300 0.178 0.000 1.082 394 I CB 2.122 40.178 38.000 0.092 0.000 1.264 394 I HN 0.877 nan 8.210 nan 0.000 0.429 395 G N 4.034 112.953 108.800 0.199 0.000 2.325 395 G HA2 0.384 4.344 3.960 -0.000 0.000 0.295 395 G HA3 0.384 4.344 3.960 -0.000 0.000 0.295 395 G C -2.175 172.814 174.900 0.147 0.000 1.274 395 G CA -0.592 44.583 45.100 0.124 0.000 0.857 395 G HN 0.562 nan 8.290 nan 0.000 0.499 396 Y N -1.612 118.721 120.300 0.055 0.000 2.545 396 Y HA 0.876 5.425 4.550 -0.001 0.000 0.348 396 Y C -1.196 174.784 175.900 0.133 0.000 1.002 396 Y CA -1.926 56.184 58.100 0.017 0.000 1.039 396 Y CB 1.910 40.201 38.460 -0.282 0.000 1.271 396 Y HN 0.387 nan 8.280 nan 0.000 0.467 397 L N 2.846 124.297 121.223 0.379 0.000 2.353 397 L HA 0.444 4.784 4.340 -0.000 0.000 0.270 397 L C 0.149 177.185 176.870 0.278 0.000 1.003 397 L CA -0.198 54.788 54.840 0.242 0.000 0.862 397 L CB 1.429 43.553 42.059 0.108 0.000 1.221 397 L HN 0.819 nan 8.230 nan 0.000 0.430 398 S N 1.347 117.257 115.700 0.350 0.000 2.592 398 S HA 0.323 4.793 4.470 -0.000 0.000 0.271 398 S C 1.309 175.888 174.600 -0.036 0.000 1.326 398 S CA -0.211 58.046 58.200 0.095 0.000 1.024 398 S CB 0.423 63.725 63.200 0.171 0.000 0.921 398 S HN 0.402 nan 8.310 nan 0.000 0.527 399 F N 1.928 121.842 119.950 -0.060 0.000 2.269 399 F HA -0.061 4.466 4.527 -0.001 0.000 0.301 399 F C 2.607 178.397 175.800 -0.017 0.000 1.082 399 F CA 0.863 58.821 58.000 -0.070 0.000 1.360 399 F CB -0.964 37.931 39.000 -0.174 0.000 1.041 399 F HN 0.821 nan 8.300 nan 0.000 0.512 400 C N -1.132 118.271 119.300 0.171 0.000 2.522 400 C HA 0.550 5.010 4.460 -0.000 0.000 0.271 400 C C 2.189 177.279 174.990 0.167 0.000 1.425 400 C CA 0.272 59.382 59.018 0.153 0.000 1.751 400 C CB -0.733 27.081 27.740 0.124 0.000 1.775 400 C HN 0.723 nan 8.230 nan 0.000 0.557 401 G N 0.740 109.640 108.800 0.166 0.000 2.213 401 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 401 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 401 G C -0.157 174.836 174.900 0.155 0.000 0.992 401 G CA 0.128 45.324 45.100 0.160 0.000 0.632 401 G HN 0.565 nan 8.290 nan 0.000 0.511 402 N N 0.280 119.102 118.700 0.203 0.000 2.371 402 N HA 0.564 5.304 4.740 -0.000 0.000 0.243 402 N C 0.178 175.797 175.510 0.182 0.000 1.287 402 N CA 0.578 53.757 53.050 0.216 0.000 0.911 402 N CB 0.813 39.494 38.487 0.322 0.000 1.142 402 N HN 0.598 nan 8.380 nan 0.000 0.451 403 M N 0.473 120.096 119.600 0.037 0.000 2.470 403 M HA 0.289 4.769 4.480 -0.000 0.000 0.285 403 M C -2.065 173.969 176.300 -0.444 0.000 1.213 403 M CA -0.617 54.573 55.300 -0.184 0.000 0.901 403 M CB 2.106 34.613 32.600 -0.155 0.000 1.718 403 M HN 0.341 nan 8.290 nan 0.000 0.469 404 D N 1.643 121.505 120.400 -0.896 0.000 2.859 404 D HA 0.734 5.374 4.640 -0.000 0.000 0.223 404 D C -1.754 174.320 176.300 -0.378 0.000 1.218 404 D CA 0.346 54.010 54.000 -0.560 0.000 0.850 404 D CB 2.465 43.041 40.800 -0.373 0.000 1.656 404 D HN 0.747 nan 8.370 nan 0.000 0.484 405 T N -0.993 113.469 114.554 -0.153 0.000 2.932 405 T HA 0.660 5.010 4.350 -0.000 0.000 0.318 405 T C -0.323 174.383 174.700 0.010 0.000 1.265 405 T CA -0.814 61.284 62.100 -0.003 0.000 1.036 405 T CB 1.166 70.087 68.868 0.087 0.000 1.209 405 T HN 0.296 nan 8.240 nan 0.000 0.484 406 S N 1.669 117.415 115.700 0.076 0.000 2.758 406 S HA 0.809 5.279 4.470 -0.000 0.000 0.292 406 S C -0.431 174.168 174.600 -0.003 0.000 1.131 406 S CA -1.044 57.152 58.200 -0.008 0.000 0.997 406 S CB 0.777 64.030 63.200 0.088 0.000 1.111 406 S HN 0.737 nan 8.310 nan 0.000 0.552 407 I N 2.418 122.921 120.570 -0.111 0.000 2.339 407 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 407 I C 0.692 176.691 176.117 -0.197 0.000 0.994 407 I CA -0.284 60.880 61.300 -0.227 0.000 1.191 407 I CB 1.005 38.819 38.000 -0.309 0.000 1.343 407 I HN 0.955 nan 8.210 nan 0.000 0.458 408 T N 5.206 119.635 114.554 -0.209 0.000 4.475 408 T HA 0.352 4.702 4.350 -0.000 0.000 0.254 408 T C 0.426 174.888 174.700 -0.397 0.000 1.160 408 T CA -0.512 61.475 62.100 -0.187 0.000 1.091 408 T CB -1.365 67.445 68.868 -0.097 0.000 1.377 408 T HN 0.444 nan 8.240 nan 0.000 1.057 409 I N -1.922 118.452 120.570 -0.327 0.000 3.021 409 I HA 0.520 4.690 4.170 -0.000 0.000 0.303 409 I C 0.544 176.670 176.117 0.015 0.000 1.044 409 I CA -1.396 59.762 61.300 -0.236 0.000 1.266 409 I CB 0.435 38.339 38.000 -0.161 0.000 1.447 409 I HN 0.091 nan 8.210 nan 0.000 0.593 410 R N 0.512 121.108 120.500 0.159 0.000 3.322 410 R HA -0.139 4.201 4.340 -0.000 0.000 0.253 410 R C -0.818 175.571 176.300 0.147 0.000 0.987 410 R CA 0.510 56.686 56.100 0.125 0.000 0.666 410 R CB -2.911 27.413 30.300 0.040 0.000 1.072 410 R HN 0.889 nan 8.270 nan 0.000 0.447 411 T N 0.667 115.372 114.554 0.252 0.000 2.921 411 T HA 0.656 5.006 4.350 -0.000 0.000 0.297 411 T C 0.134 174.992 174.700 0.263 0.000 1.013 411 T CA -0.708 61.528 62.100 0.228 0.000 0.990 411 T CB 1.899 70.879 68.868 0.185 0.000 1.023 411 T HN 0.066 nan 8.240 nan 0.000 0.447 412 L N 2.074 123.412 121.223 0.191 0.000 2.334 412 L HA 0.688 5.028 4.340 -0.000 0.000 0.272 412 L C 0.489 177.470 176.870 0.186 0.000 1.020 412 L CA -0.608 54.352 54.840 0.200 0.000 0.812 412 L CB 1.428 43.591 42.059 0.173 0.000 1.264 412 L HN 0.534 nan 8.230 nan 0.000 0.439 413 T N 1.409 116.112 114.554 0.249 0.000 2.809 413 T HA 0.663 5.013 4.350 -0.000 0.000 0.296 413 T C -0.305 174.565 174.700 0.283 0.000 1.015 413 T CA -0.516 61.730 62.100 0.243 0.000 0.954 413 T CB 1.263 70.296 68.868 0.275 0.000 0.950 413 T HN 0.653 nan 8.240 nan 0.000 0.450 414 A N 4.465 127.395 122.820 0.182 0.000 2.273 414 A HA 0.813 5.133 4.320 -0.000 0.000 0.320 414 A C -0.353 177.410 177.584 0.299 0.000 1.358 414 A CA -0.642 51.511 52.037 0.193 0.000 0.910 414 A CB -0.118 18.885 19.000 0.006 0.000 1.159 414 A HN 0.940 nan 8.150 nan 0.000 0.526 415 I N 1.900 122.698 120.570 0.380 0.000 2.680 415 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 415 I C -0.793 175.468 176.117 0.240 0.000 1.244 415 I CA -0.386 61.086 61.300 0.286 0.000 1.042 415 I CB 1.604 39.758 38.000 0.258 0.000 1.277 415 I HN 0.650 nan 8.210 nan 0.000 0.423 416 N N 5.197 123.983 118.700 0.142 0.000 2.721 416 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 416 N C 0.723 176.230 175.510 -0.005 0.000 1.072 416 N CA 1.644 54.733 53.050 0.065 0.000 0.710 416 N CB -1.261 37.280 38.487 0.090 0.000 0.993 416 N HN 1.327 nan 8.380 nan 0.000 0.547 417 G N -1.909 106.823 108.800 -0.113 0.000 2.194 417 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.236 417 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.236 417 G C -0.228 174.547 174.900 -0.208 0.000 0.987 417 G CA 0.408 45.317 45.100 -0.318 0.000 0.635 417 G HN 0.476 nan 8.290 nan 0.000 0.520 418 Q N -0.405 119.440 119.800 0.075 0.000 2.377 418 Q HA 0.739 5.079 4.340 -0.000 0.000 0.271 418 Q C -0.883 175.192 176.000 0.124 0.000 1.077 418 Q CA -0.790 55.042 55.803 0.047 0.000 0.820 418 Q CB 2.893 31.590 28.738 -0.068 0.000 1.347 418 Q HN 0.494 nan 8.270 nan 0.000 0.444 419 I N 0.742 121.281 120.570 -0.051 0.000 2.509 419 I HA 0.526 4.696 4.170 -0.000 0.000 0.293 419 I C -1.670 174.408 176.117 -0.065 0.000 1.020 419 I CA -0.680 60.623 61.300 0.006 0.000 1.088 419 I CB 1.067 39.065 38.000 -0.004 0.000 1.267 419 I HN 0.443 nan 8.210 nan 0.000 0.430 420 F N 6.015 126.151 119.950 0.310 0.000 2.538 420 F HA 0.674 5.201 4.527 -0.000 0.000 0.325 420 F C -0.314 175.615 175.800 0.216 0.000 1.066 420 F CA -0.671 57.510 58.000 0.302 0.000 0.946 420 F CB 1.852 40.959 39.000 0.177 0.000 1.199 420 F HN 0.466 nan 8.300 nan 0.000 0.473 421 C N 1.624 121.112 119.300 0.313 0.000 2.752 421 C HA 0.771 5.231 4.460 -0.000 0.000 0.360 421 C C -0.811 174.109 174.990 -0.117 0.000 1.081 421 C CA -0.237 58.819 59.018 0.063 0.000 1.272 421 C CB 0.341 28.041 27.740 -0.066 0.000 1.754 421 C HN 0.853 nan 8.230 nan 0.000 0.483 422 S N 2.474 117.846 115.700 -0.547 0.000 2.747 422 S HA 0.974 5.444 4.470 -0.000 0.000 0.300 422 S C -0.436 173.817 174.600 -0.578 0.000 1.121 422 S CA -0.328 57.333 58.200 -0.897 0.000 0.995 422 S CB 1.748 63.802 63.200 -1.910 0.000 1.113 422 S HN 1.465 nan 8.310 nan 0.000 0.547 423 A N 0.446 122.994 122.820 -0.454 0.000 2.437 423 A HA 0.758 5.078 4.320 -0.000 0.000 0.293 423 A C -0.202 177.338 177.584 -0.072 0.000 1.038 423 A CA -0.470 51.508 52.037 -0.099 0.000 0.708 423 A CB 1.082 20.055 19.000 -0.046 0.000 1.251 423 A HN 0.930 nan 8.150 nan 0.000 0.409 424 G N -0.061 108.847 108.800 0.180 0.000 2.644 424 G HA2 0.852 4.812 3.960 -0.000 0.000 0.307 424 G HA3 0.852 4.812 3.960 -0.000 0.000 0.307 424 G C -0.145 174.842 174.900 0.146 0.000 1.250 424 G CA -0.570 44.650 45.100 0.200 0.000 0.996 424 G HN 1.674 nan 8.290 nan 0.000 0.489 425 G N -1.512 107.382 108.800 0.157 0.000 2.761 425 G HA2 0.611 4.571 3.960 -0.000 0.000 0.296 425 G HA3 0.611 4.571 3.960 -0.000 0.000 0.296 425 G C -0.263 174.731 174.900 0.158 0.000 1.416 425 G CA 0.146 45.339 45.100 0.155 0.000 1.105 425 G HN 0.977 nan 8.290 nan 0.000 0.565 426 G N 0.177 109.050 108.800 0.122 0.000 2.403 426 G HA2 0.532 4.492 3.960 -0.000 0.000 0.259 426 G HA3 0.532 4.492 3.960 -0.000 0.000 0.259 426 G C -0.239 174.733 174.900 0.120 0.000 1.244 426 G CA -0.350 44.804 45.100 0.091 0.000 0.849 426 G HN 0.662 nan 8.290 nan 0.000 0.532 427 I N 1.837 122.451 120.570 0.073 0.000 2.433 427 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 427 I C 0.172 176.294 176.117 0.008 0.000 1.001 427 I CA -0.823 60.505 61.300 0.048 0.000 1.119 427 I CB 1.994 39.952 38.000 -0.070 0.000 1.289 427 I HN 0.413 nan 8.210 nan 0.000 0.438 428 V N 2.459 122.391 119.914 0.030 0.000 3.156 428 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 428 V C 0.913 177.022 176.094 0.025 0.000 1.208 428 V CA -0.316 62.007 62.300 0.038 0.000 1.063 428 V CB 1.204 33.073 31.823 0.078 0.000 1.098 428 V HN 0.750 nan 8.190 nan 0.000 0.452 429 A N -0.379 122.467 122.820 0.043 0.000 1.927 429 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 429 A C 1.474 179.096 177.584 0.063 0.000 1.185 429 A CA 2.738 54.802 52.037 0.045 0.000 0.639 429 A CB -1.066 17.969 19.000 0.059 0.000 0.820 429 A HN 1.013 nan 8.150 nan 0.000 0.451 430 D N -0.117 120.328 120.400 0.076 0.000 2.363 430 D HA 0.110 4.750 4.640 -0.000 0.000 0.220 430 D C 0.459 176.841 176.300 0.137 0.000 0.994 430 D CA 0.257 54.312 54.000 0.091 0.000 0.890 430 D CB -0.097 40.747 40.800 0.073 0.000 0.906 430 D HN 0.279 nan 8.370 nan 0.000 0.530 431 S N 0.975 116.781 115.700 0.178 0.000 2.572 431 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 431 S C 0.164 175.074 174.600 0.516 0.000 1.341 431 S CA -0.259 58.136 58.200 0.324 0.000 1.043 431 S CB 0.767 64.181 63.200 0.357 0.000 0.887 431 S HN 0.061 nan 8.310 nan 0.000 0.516 432 Q N 1.774 121.810 119.800 0.392 0.000 2.330 432 Q HA 0.229 4.569 4.340 -0.000 0.000 0.269 432 Q C 0.766 176.569 176.000 -0.327 0.000 1.022 432 Q CA -0.449 55.445 55.803 0.152 0.000 0.796 432 Q CB 1.642 30.424 28.738 0.073 0.000 1.271 432 Q HN 0.882 nan 8.270 nan 0.000 0.450 433 E N 2.198 121.961 120.200 -0.727 0.000 2.070 433 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 433 E C 0.932 177.264 176.600 -0.447 0.000 1.004 433 E CA 1.964 57.623 56.400 -1.235 0.000 0.805 433 E CB 0.411 29.752 29.700 -0.597 0.000 0.744 433 E HN 0.599 nan 8.360 nan 0.000 0.451 434 E N -0.393 119.688 120.200 -0.199 0.000 2.112 434 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 434 E C 1.689 178.311 176.600 0.038 0.000 0.979 434 E CA 1.058 57.436 56.400 -0.037 0.000 0.814 434 E CB -0.121 29.567 29.700 -0.019 0.000 0.762 434 E HN 0.362 nan 8.360 nan 0.000 0.460 435 A N 0.371 123.191 122.820 0.001 0.000 1.969 435 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 435 A C 2.047 179.673 177.584 0.069 0.000 1.169 435 A CA 1.644 53.709 52.037 0.046 0.000 0.635 435 A CB -0.440 18.590 19.000 0.049 0.000 0.810 435 A HN 0.255 nan 8.150 nan 0.000 0.445 436 E N -1.532 118.699 120.200 0.051 0.000 2.274 436 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 436 E C 1.578 178.235 176.600 0.095 0.000 0.996 436 E CA 0.880 57.371 56.400 0.152 0.000 0.840 436 E CB -0.419 29.481 29.700 0.333 0.000 0.772 436 E HN 0.657 nan 8.360 nan 0.000 0.491 437 Y N 0.868 121.094 120.300 -0.124 0.000 2.145 437 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 437 Y C 2.159 178.015 175.900 -0.073 0.000 1.145 437 Y CA 2.139 60.011 58.100 -0.380 0.000 1.148 437 Y CB -0.442 37.861 38.460 -0.263 0.000 0.981 437 Y HN 0.103 nan 8.280 nan 0.000 0.507 438 Q N 0.884 120.730 119.800 0.077 0.000 2.291 438 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 438 Q C 2.102 178.144 176.000 0.070 0.000 0.970 438 Q CA 1.905 57.764 55.803 0.094 0.000 0.876 438 Q CB -0.379 28.409 28.738 0.082 0.000 0.935 438 Q HN 0.737 nan 8.270 nan 0.000 0.455 439 E N -1.166 119.054 120.200 0.033 0.000 2.208 439 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 439 E C 1.542 178.143 176.600 0.001 0.000 0.988 439 E CA 1.404 57.828 56.400 0.041 0.000 0.828 439 E CB -0.033 29.709 29.700 0.071 0.000 0.763 439 E HN 0.553 nan 8.360 nan 0.000 0.478 440 T N -1.322 113.171 114.554 -0.101 0.000 2.746 440 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 440 T C 1.630 176.195 174.700 -0.224 0.000 1.039 440 T CA 1.036 63.025 62.100 -0.185 0.000 1.142 440 T CB -0.612 68.045 68.868 -0.352 0.000 0.866 440 T HN 0.124 nan 8.240 nan 0.000 0.444 441 F N 2.432 122.275 119.950 -0.177 0.000 2.134 441 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 441 F C 2.387 178.096 175.800 -0.151 0.000 1.097 441 F CA 1.201 59.094 58.000 -0.179 0.000 1.264 441 F CB -0.592 38.269 39.000 -0.231 0.000 1.001 441 F HN 0.131 nan 8.300 nan 0.000 0.479 442 D N 0.195 120.652 120.400 0.094 0.000 2.149 442 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 442 D C 2.085 178.397 176.300 0.019 0.000 0.990 442 D CA 1.260 55.288 54.000 0.046 0.000 0.839 442 D CB -0.306 40.525 40.800 0.052 0.000 0.948 442 D HN 0.228 nan 8.370 nan 0.000 0.460 443 K N -0.100 120.309 120.400 0.014 0.000 2.148 443 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 443 K C 1.711 178.296 176.600 -0.025 0.000 1.050 443 K CA 0.766 57.061 56.287 0.014 0.000 0.942 443 K CB 0.339 32.860 32.500 0.035 0.000 0.724 443 K HN 0.171 nan 8.250 nan 0.000 0.446 444 V N -3.031 116.831 119.914 -0.086 0.000 3.330 444 V HA 0.237 4.357 4.120 -0.000 0.000 0.309 444 V C 0.896 176.848 176.094 -0.237 0.000 1.481 444 V CA -0.318 61.886 62.300 -0.161 0.000 1.068 444 V CB 0.210 31.898 31.823 -0.226 0.000 0.935 444 V HN 0.024 nan 8.190 nan 0.000 0.453 445 N N 2.296 120.896 118.700 -0.168 0.000 2.166 445 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 445 N C 1.844 177.263 175.510 -0.152 0.000 1.019 445 N CA 1.752 54.696 53.050 -0.177 0.000 0.856 445 N CB -0.318 38.113 38.487 -0.093 0.000 0.993 445 N HN 0.560 nan 8.380 nan 0.000 0.426 446 R N -0.102 120.336 120.500 -0.103 0.000 2.189 446 R HA 0.114 4.454 4.340 -0.000 0.000 0.218 446 R C 1.942 178.192 176.300 -0.083 0.000 1.074 446 R CA 0.509 56.564 56.100 -0.074 0.000 0.991 446 R CB 0.006 30.278 30.300 -0.046 0.000 0.883 446 R HN 0.286 nan 8.270 nan 0.000 0.457 447 I N 0.319 120.813 120.570 -0.126 0.000 2.400 447 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 447 I C 1.893 177.919 176.117 -0.151 0.000 1.109 447 I CA 0.865 62.092 61.300 -0.121 0.000 1.425 447 I CB -0.007 37.911 38.000 -0.136 0.000 1.094 447 I HN 0.107 nan 8.210 nan 0.000 0.425 448 L N 1.126 122.134 121.223 -0.359 0.000 2.056 448 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 448 L C 2.640 179.534 176.870 0.041 0.000 1.078 448 L CA 1.550 56.074 54.840 -0.527 0.000 0.749 448 L CB -0.873 40.455 42.059 -1.218 0.000 0.901 448 L HN 0.286 nan 8.230 nan 0.000 0.433 449 K N 0.656 121.035 120.400 -0.035 0.000 2.057 449 K HA -0.287 4.033 4.320 -0.000 0.000 0.207 449 K C 2.112 178.764 176.600 0.085 0.000 1.049 449 K CA 1.839 58.154 56.287 0.046 0.000 0.931 449 K CB -0.456 32.036 32.500 -0.013 0.000 0.714 449 K HN 0.285 nan 8.250 nan 0.000 0.440 450 Q N 0.771 120.603 119.800 0.053 0.000 2.291 450 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 450 Q C 1.979 178.045 176.000 0.110 0.000 0.970 450 Q CA 0.793 56.629 55.803 0.055 0.000 0.876 450 Q CB 0.046 28.789 28.738 0.009 0.000 0.935 450 Q HN 0.476 nan 8.270 nan 0.000 0.455 451 L N 0.138 121.481 121.223 0.200 0.000 2.341 451 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 451 L C 1.720 178.755 176.870 0.275 0.000 1.115 451 L CA 0.656 55.670 54.840 0.289 0.000 0.820 451 L CB -0.083 42.242 42.059 0.444 0.000 0.944 451 L HN 0.254 nan 8.230 nan 0.000 0.452 452 E N 0.583 120.935 120.200 0.255 0.000 2.409 452 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 452 E C -0.464 176.193 176.600 0.096 0.000 1.024 452 E CA 0.472 56.961 56.400 0.148 0.000 0.861 452 E CB 0.216 30.003 29.700 0.145 0.000 0.788 452 E HN 0.360 nan 8.360 nan 0.000 0.521 453 K N 0.000 120.462 120.400 0.103 0.000 2.780 453 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 453 K CA 0.000 56.333 56.287 0.076 0.000 0.838 453 K CB 0.000 32.529 32.500 0.048 0.000 1.064 453 K HN 0.000 nan 8.250 nan 0.000 0.543