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 1q1b_1_D DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.140 176.094 0.077 0.000 1.182 4 V CA 0.000 62.342 62.300 0.069 0.000 1.235 4 V CB 0.000 31.864 31.823 0.068 0.000 1.184 5 Q N 2.409 122.277 119.800 0.114 0.000 2.503 5 Q HA 0.714 5.054 4.340 0.000 0.000 0.268 5 Q C -2.706 173.393 176.000 0.165 0.000 0.982 5 Q CA -0.704 55.170 55.803 0.118 0.000 0.907 5 Q CB 2.300 31.087 28.738 0.083 0.000 1.467 5 Q HN 0.632 nan 8.270 nan 0.000 0.394 6 L N 2.293 123.594 121.223 0.130 0.000 2.385 6 L HA 0.546 4.887 4.340 0.000 0.000 0.273 6 L C -0.834 176.098 176.870 0.103 0.000 0.990 6 L CA -0.240 54.670 54.840 0.117 0.000 0.821 6 L CB 2.110 44.218 42.059 0.083 0.000 1.279 6 L HN 0.605 nan 8.230 nan 0.000 0.412 7 Q N 1.881 121.753 119.800 0.121 0.000 2.310 7 Q HA 0.392 4.732 4.340 0.000 0.000 0.270 7 Q C -0.341 175.695 176.000 0.059 0.000 1.025 7 Q CA -0.717 55.142 55.803 0.093 0.000 0.772 7 Q CB 1.422 30.242 28.738 0.137 0.000 1.253 7 Q HN 0.586 nan 8.270 nan 0.000 0.450 8 N N -0.136 118.581 118.700 0.029 0.000 2.686 8 N HA -0.189 4.552 4.740 0.000 0.000 0.249 8 N C -0.649 174.860 175.510 -0.003 0.000 1.082 8 N CA 0.512 53.567 53.050 0.009 0.000 0.725 8 N CB -0.951 37.544 38.487 0.012 0.000 1.009 8 N HN 0.252 nan 8.380 nan 0.000 0.545 9 V N -0.227 119.684 119.914 -0.004 0.000 2.999 9 V HA 0.202 4.323 4.120 0.000 0.000 0.307 9 V C 0.989 177.056 176.094 -0.044 0.000 1.084 9 V CA 0.489 62.775 62.300 -0.023 0.000 1.155 9 V CB 1.357 33.169 31.823 -0.017 0.000 0.975 9 V HN 0.345 nan 8.190 nan 0.000 0.490 10 T N 3.973 118.489 114.554 -0.063 0.000 3.548 10 T HA 0.339 4.689 4.350 0.000 0.000 0.329 10 T C -0.796 173.830 174.700 -0.123 0.000 0.960 10 T CA -0.829 61.220 62.100 -0.085 0.000 1.041 10 T CB 1.377 70.205 68.868 -0.067 0.000 1.065 10 T HN 0.649 nan 8.240 nan 0.000 0.459 11 K N 2.147 122.443 120.400 -0.173 0.000 2.156 11 K HA 0.933 5.253 4.320 0.000 0.000 0.254 11 K C -1.032 175.369 176.600 -0.332 0.000 0.950 11 K CA -0.624 55.495 56.287 -0.280 0.000 0.849 11 K CB 1.390 33.686 32.500 -0.340 0.000 1.100 11 K HN 0.844 nan 8.250 nan 0.000 0.434 12 A N 2.762 125.319 122.820 -0.438 0.000 2.605 12 A HA 0.651 4.971 4.320 0.000 0.000 0.294 12 A C -2.051 175.326 177.584 -0.344 0.000 1.062 12 A CA -0.835 50.998 52.037 -0.340 0.000 0.682 12 A CB 0.950 19.865 19.000 -0.142 0.000 1.278 12 A HN 0.519 nan 8.150 nan 0.000 0.410 13 W N 1.727 123.024 121.300 -0.005 0.000 2.591 13 W HA 0.523 5.183 4.660 0.000 0.000 0.311 13 W C 0.689 177.205 176.519 -0.004 0.000 1.003 13 W CA 0.046 57.388 57.345 -0.004 0.000 1.332 13 W CB 1.074 30.532 29.460 -0.003 0.000 1.272 13 W HN 1.915 nan 8.180 nan 0.000 0.412 14 G N 2.812 111.731 108.800 0.199 0.000 2.591 14 G HA2 -0.401 3.559 3.960 0.000 0.000 0.298 14 G HA3 -0.401 3.559 3.960 0.000 0.000 0.298 14 G C 0.683 175.631 174.900 0.080 0.000 1.195 14 G CA 1.192 46.361 45.100 0.114 0.000 0.989 14 G HN 0.363 nan 8.290 nan 0.000 0.551 15 E N -0.286 119.954 120.200 0.066 0.000 2.479 15 E HA 0.393 4.743 4.350 0.000 0.000 0.193 15 E C 0.747 177.374 176.600 0.044 0.000 1.049 15 E CA 0.251 56.676 56.400 0.043 0.000 0.870 15 E CB 0.480 30.198 29.700 0.031 0.000 0.944 15 E HN 0.454 nan 8.360 nan 0.000 0.492 16 V N 1.651 121.610 119.914 0.076 0.000 2.348 16 V HA 0.201 4.322 4.120 0.000 0.000 0.270 16 V C -0.176 175.949 176.094 0.052 0.000 1.037 16 V CA -0.779 61.566 62.300 0.076 0.000 0.872 16 V CB 1.436 33.334 31.823 0.124 0.000 1.002 16 V HN -0.171 nan 8.190 nan 0.000 0.464 17 V N 6.507 126.422 119.914 0.003 0.000 2.368 17 V HA 0.139 4.259 4.120 0.000 0.000 0.266 17 V C 1.022 177.080 176.094 -0.059 0.000 1.045 17 V CA 0.044 62.315 62.300 -0.048 0.000 0.899 17 V CB 1.208 33.001 31.823 -0.051 0.000 1.006 17 V HN 0.807 nan 8.190 nan 0.000 0.470 18 V N 1.554 121.401 119.914 -0.112 0.000 2.992 18 V HA 0.238 4.358 4.120 0.000 0.000 0.250 18 V C 0.885 176.908 176.094 -0.118 0.000 1.090 18 V CA 0.881 63.120 62.300 -0.102 0.000 1.101 18 V CB 0.626 32.357 31.823 -0.153 0.000 0.743 18 V HN 0.670 nan 8.190 nan 0.000 0.468 19 S N 0.322 115.932 115.700 -0.149 0.000 2.779 19 S HA 0.493 4.963 4.470 0.000 0.000 0.293 19 S C -0.270 174.263 174.600 -0.110 0.000 1.150 19 S CA -0.836 57.289 58.200 -0.126 0.000 1.057 19 S CB 0.961 64.080 63.200 -0.135 0.000 1.021 19 S HN 0.542 nan 8.310 nan 0.000 0.485 20 K N 1.802 122.147 120.400 -0.092 0.000 2.627 20 K HA 0.291 4.611 4.320 0.000 0.000 0.269 20 K C -0.440 176.121 176.600 -0.065 0.000 1.029 20 K CA -0.941 55.301 56.287 -0.076 0.000 1.026 20 K CB 0.189 32.647 32.500 -0.070 0.000 1.350 20 K HN 0.538 nan 8.250 nan 0.000 0.506 21 D N 2.642 123.011 120.400 -0.051 0.000 2.483 21 D HA -0.001 4.639 4.640 0.000 0.000 0.261 21 D C 0.000 176.277 176.300 -0.039 0.000 1.318 21 D CA 0.595 54.572 54.000 -0.038 0.000 1.201 21 D CB -0.839 39.944 40.800 -0.028 0.000 1.127 21 D HN 0.319 nan 8.370 nan 0.000 0.519 22 I N -0.921 119.624 120.570 -0.042 0.000 2.428 22 I HA 0.408 4.578 4.170 0.000 0.000 0.296 22 I C -0.532 175.574 176.117 -0.018 0.000 0.985 22 I CA -0.777 60.497 61.300 -0.044 0.000 1.260 22 I CB 1.200 39.161 38.000 -0.064 0.000 1.389 22 I HN -0.196 nan 8.210 nan 0.000 0.484 23 N N 6.145 124.836 118.700 -0.014 0.000 2.410 23 N HA 0.745 5.485 4.740 0.000 0.000 0.287 23 N C -1.541 173.975 175.510 0.010 0.000 1.044 23 N CA -0.381 52.673 53.050 0.008 0.000 0.881 23 N CB 2.149 40.641 38.487 0.008 0.000 1.405 23 N HN 0.546 nan 8.380 nan 0.000 0.490 24 L N 0.644 121.887 121.223 0.033 0.000 2.393 24 L HA 0.598 4.939 4.340 0.000 0.000 0.260 24 L C -0.989 175.915 176.870 0.055 0.000 1.002 24 L CA -0.625 54.244 54.840 0.047 0.000 0.818 24 L CB 2.299 44.402 42.059 0.072 0.000 1.369 24 L HN 0.430 nan 8.230 nan 0.000 0.412 25 D N 2.494 122.923 120.400 0.049 0.000 2.479 25 D HA 0.441 5.082 4.640 0.000 0.000 0.246 25 D C -1.387 174.920 176.300 0.012 0.000 1.336 25 D CA -0.170 53.832 54.000 0.003 0.000 0.967 25 D CB 1.517 42.284 40.800 -0.054 0.000 1.275 25 D HN 0.344 nan 8.370 nan 0.000 0.577 26 I N 3.573 124.164 120.570 0.036 0.000 2.330 26 I HA 0.239 4.409 4.170 0.000 0.000 0.289 26 I C 0.544 176.695 176.117 0.057 0.000 1.001 26 I CA -0.723 60.642 61.300 0.109 0.000 1.193 26 I CB 1.079 39.165 38.000 0.143 0.000 1.345 26 I HN 0.285 nan 8.210 nan 0.000 0.461 27 H N 3.012 122.121 119.070 0.065 0.000 2.654 27 H HA 0.123 4.679 4.556 0.001 0.000 0.376 27 H C 0.050 175.405 175.328 0.046 0.000 1.503 27 H CA -0.198 55.879 56.048 0.048 0.000 1.464 27 H CB 0.384 30.174 29.762 0.046 0.000 1.565 27 H HN 0.563 nan 8.280 nan 0.000 0.614 28 E N -0.532 119.769 120.200 0.169 0.000 2.373 28 E HA 0.252 4.602 4.350 0.000 0.000 0.263 28 E C 0.912 177.560 176.600 0.079 0.000 1.073 28 E CA 0.490 56.941 56.400 0.085 0.000 0.894 28 E CB 0.242 29.969 29.700 0.045 0.000 1.008 28 E HN 0.787 nan 8.360 nan 0.000 0.420 29 G N 2.661 111.484 108.800 0.038 0.000 2.205 29 G HA2 -0.361 3.599 3.960 0.000 0.000 0.269 29 G HA3 -0.361 3.599 3.960 0.000 0.000 0.269 29 G C -0.040 174.951 174.900 0.152 0.000 0.977 29 G CA 0.740 45.853 45.100 0.021 0.000 0.652 29 G HN 0.606 nan 8.290 nan 0.000 0.539 30 E N -0.321 119.992 120.200 0.187 0.000 2.360 30 E HA 0.396 4.746 4.350 0.000 0.000 0.269 30 E C -0.447 176.332 176.600 0.299 0.000 1.022 30 E CA -0.671 55.884 56.400 0.258 0.000 0.887 30 E CB 0.563 30.391 29.700 0.214 0.000 0.990 30 E HN 0.140 nan 8.360 nan 0.000 0.426 31 F N 3.274 123.316 119.950 0.153 0.000 2.410 31 F HA 0.239 4.766 4.527 0.000 0.000 0.348 31 F C -0.438 175.369 175.800 0.012 0.000 1.106 31 F CA -0.619 57.337 58.000 -0.074 0.000 1.163 31 F CB 0.817 39.533 39.000 -0.473 0.000 1.129 31 F HN 0.066 nan 8.300 nan 0.000 0.516 32 V N 6.554 126.713 119.914 0.408 0.000 2.569 32 V HA 0.352 4.472 4.120 0.000 0.000 0.301 32 V C -0.859 175.440 176.094 0.342 0.000 1.044 32 V CA -0.895 61.599 62.300 0.322 0.000 0.874 32 V CB 1.752 33.737 31.823 0.270 0.000 1.002 32 V HN 0.482 nan 8.190 nan 0.000 0.424 33 V N 5.205 125.310 119.914 0.319 0.000 2.481 33 V HA 0.489 4.610 4.120 0.000 0.000 0.286 33 V C -0.319 176.049 176.094 0.458 0.000 1.042 33 V CA -0.359 62.142 62.300 0.335 0.000 0.928 33 V CB 1.612 33.563 31.823 0.214 0.000 0.986 33 V HN 0.672 nan 8.190 nan 0.000 0.462 34 F N 4.369 124.387 119.950 0.114 0.000 2.415 34 F HA 0.652 5.179 4.527 0.001 0.000 0.348 34 F C 0.178 175.986 175.800 0.013 0.000 1.119 34 F CA -0.841 57.188 58.000 0.049 0.000 1.069 34 F CB 1.891 40.907 39.000 0.026 0.000 1.124 34 F HN 0.443 nan 8.300 nan 0.000 0.472 35 V N 1.133 121.115 119.914 0.114 0.000 3.040 35 V HA 1.087 5.208 4.120 0.000 0.000 0.312 35 V C -0.528 175.465 176.094 -0.168 0.000 1.115 35 V CA -0.657 61.656 62.300 0.022 0.000 0.998 35 V CB 1.468 33.376 31.823 0.141 0.000 1.042 35 V HN 0.981 nan 8.190 nan 0.000 0.433 36 G N 1.744 110.402 108.800 -0.238 0.000 2.358 36 G HA2 0.448 4.409 3.960 0.000 0.000 0.303 36 G HA3 0.448 4.409 3.960 0.000 0.000 0.303 36 G C -3.527 171.421 174.900 0.080 0.000 1.537 36 G CA -0.151 44.657 45.100 -0.486 0.000 0.928 36 G HN 0.832 nan 8.290 nan 0.000 0.656 37 P HA 0.230 nan 4.420 nan 0.000 0.272 37 P C 1.423 178.915 177.300 0.319 0.000 1.240 37 P CA 0.930 64.316 63.100 0.476 0.000 0.791 37 P CB 1.267 33.232 31.700 0.441 0.000 0.978 38 S N 1.929 117.806 115.700 0.296 0.000 1.878 38 S HA -0.281 4.190 4.470 0.000 0.000 0.537 38 S C 1.533 176.226 174.600 0.154 0.000 0.915 38 S CA 1.700 60.008 58.200 0.181 0.000 3.381 38 S CB -2.493 60.774 63.200 0.111 0.000 2.352 38 S HN 0.797 nan 8.310 nan 0.000 0.593 39 G N 0.280 109.141 108.800 0.102 0.000 3.709 39 G HA2 0.366 4.326 3.960 0.000 0.000 0.272 39 G HA3 0.366 4.326 3.960 0.000 0.000 0.272 39 G C 1.165 176.090 174.900 0.041 0.000 1.259 39 G CA 0.231 45.377 45.100 0.076 0.000 1.512 39 G HN 1.177 nan 8.290 nan 0.000 0.625 40 C N -2.090 117.231 119.300 0.034 0.000 2.435 40 C HA 0.393 4.853 4.460 0.000 0.000 0.279 40 C C 2.215 177.184 174.990 -0.035 0.000 1.321 40 C CA 0.677 59.676 59.018 -0.031 0.000 1.752 40 C CB -0.585 27.119 27.740 -0.060 0.000 1.959 40 C HN 1.028 nan 8.230 nan 0.000 0.500 41 G N 1.261 110.065 108.800 0.006 0.000 2.227 41 G HA2 -0.201 3.760 3.960 0.000 0.000 0.168 41 G HA3 -0.201 3.760 3.960 0.000 0.000 0.168 41 G C 0.857 175.784 174.900 0.044 0.000 1.006 41 G CA 0.377 45.481 45.100 0.006 0.000 0.684 41 G HN 0.687 nan 8.290 nan 0.000 0.489 42 K N 0.575 121.018 120.400 0.071 0.000 2.173 42 K HA -0.044 4.276 4.320 0.000 0.000 0.207 42 K C 2.143 178.870 176.600 0.212 0.000 1.046 42 K CA 2.058 58.470 56.287 0.209 0.000 0.929 42 K CB -0.343 32.275 32.500 0.196 0.000 0.720 42 K HN 0.259 nan 8.250 nan 0.000 0.453 43 S N 0.512 116.269 115.700 0.096 0.000 2.327 43 S HA -0.060 4.411 4.470 0.000 0.000 0.213 43 S C 1.913 176.506 174.600 -0.012 0.000 1.032 43 S CA 1.292 59.498 58.200 0.009 0.000 0.960 43 S CB -0.386 62.820 63.200 0.011 0.000 0.900 43 S HN 0.437 nan 8.310 nan 0.000 0.469 44 T N 3.279 117.848 114.554 0.024 0.000 2.684 44 T HA -0.225 4.126 4.350 0.000 0.000 0.267 44 T C 1.667 176.365 174.700 -0.004 0.000 1.032 44 T CA 1.679 63.789 62.100 0.018 0.000 1.155 44 T CB -0.644 68.229 68.868 0.009 0.000 0.857 44 T HN 0.231 nan 8.240 nan 0.000 0.457 45 L N 0.128 121.371 121.223 0.034 0.000 1.976 45 L HA -0.087 4.253 4.340 0.000 0.000 0.209 45 L C 2.433 179.343 176.870 0.067 0.000 1.071 45 L CA 1.392 56.281 54.840 0.081 0.000 0.746 45 L CB -0.415 41.764 42.059 0.201 0.000 0.890 45 L HN 0.219 nan 8.230 nan 0.000 0.432 46 L N 0.168 121.406 121.223 0.025 0.000 2.137 46 L HA -0.272 4.068 4.340 0.000 0.000 0.213 46 L C 2.709 179.478 176.870 -0.169 0.000 1.085 46 L CA 1.790 56.543 54.840 -0.145 0.000 0.760 46 L CB -0.559 41.307 42.059 -0.321 0.000 0.893 46 L HN 0.215 nan 8.230 nan 0.000 0.434 47 R N -1.433 118.968 120.500 -0.163 0.000 2.073 47 R HA -0.090 4.250 4.340 0.000 0.000 0.229 47 R C 2.206 178.518 176.300 0.021 0.000 1.120 47 R CA 1.680 57.728 56.100 -0.087 0.000 0.967 47 R CB -0.439 29.837 30.300 -0.041 0.000 0.862 47 R HN 0.420 nan 8.270 nan 0.000 0.436 48 M N 0.529 120.133 119.600 0.007 0.000 2.117 48 M HA -0.142 4.338 4.480 0.000 0.000 0.262 48 M C 2.180 178.497 176.300 0.027 0.000 1.065 48 M CA 1.601 56.908 55.300 0.012 0.000 1.114 48 M CB -0.287 32.304 32.600 -0.014 0.000 1.361 48 M HN 0.105 nan 8.290 nan 0.000 0.408 49 I N -0.057 120.535 120.570 0.036 0.000 2.850 49 I HA -0.185 3.985 4.170 0.000 0.000 0.266 49 I C 1.630 177.789 176.117 0.070 0.000 1.257 49 I CA 0.626 61.955 61.300 0.048 0.000 1.465 49 I CB -0.290 37.738 38.000 0.047 0.000 1.091 49 I HN 0.224 nan 8.210 nan 0.000 0.467 50 A N -0.404 122.478 122.820 0.103 0.000 2.589 50 A HA 0.521 4.841 4.320 0.000 0.000 0.283 50 A C 1.583 179.234 177.584 0.112 0.000 1.187 50 A CA 0.431 52.555 52.037 0.145 0.000 0.957 50 A CB 0.104 19.295 19.000 0.319 0.000 1.175 50 A HN 0.449 nan 8.150 nan 0.000 0.532 51 G N 0.229 109.075 108.800 0.076 0.000 2.377 51 G HA2 -0.351 3.609 3.960 0.000 0.000 0.250 51 G HA3 -0.351 3.609 3.960 0.000 0.000 0.250 51 G C 1.030 175.982 174.900 0.086 0.000 1.039 51 G CA 0.588 45.725 45.100 0.063 0.000 0.625 51 G HN 0.589 nan 8.290 nan 0.000 0.526 52 L N 0.208 121.508 121.223 0.128 0.000 2.661 52 L HA 0.089 4.429 4.340 0.000 0.000 0.236 52 L C 0.483 177.429 176.870 0.127 0.000 1.176 52 L CA 0.984 55.914 54.840 0.150 0.000 0.836 52 L CB -0.195 42.000 42.059 0.227 0.000 0.960 52 L HN 0.244 nan 8.230 nan 0.000 0.455 53 E N -0.440 119.818 120.200 0.096 0.000 2.291 53 E HA 0.169 4.520 4.350 0.000 0.000 0.276 53 E C -0.442 176.184 176.600 0.042 0.000 0.896 53 E CA -0.292 56.160 56.400 0.088 0.000 0.774 53 E CB 1.740 31.483 29.700 0.072 0.000 1.227 53 E HN -0.043 nan 8.360 nan 0.000 0.413 54 T N 0.297 114.880 114.554 0.049 0.000 2.888 54 T HA 0.357 4.707 4.350 0.000 0.000 0.301 54 T C 0.804 175.480 174.700 -0.040 0.000 1.001 54 T CA -0.274 61.835 62.100 0.014 0.000 1.147 54 T CB 0.012 68.902 68.868 0.038 0.000 0.931 54 T HN 0.353 nan 8.240 nan 0.000 0.541 55 I N 4.681 125.224 120.570 -0.045 0.000 2.269 55 I HA 0.136 4.307 4.170 0.000 0.000 0.293 55 I C 1.672 177.750 176.117 -0.064 0.000 1.106 55 I CA -0.666 60.594 61.300 -0.068 0.000 1.248 55 I CB 0.702 38.665 38.000 -0.061 0.000 1.444 55 I HN 0.917 nan 8.210 nan 0.000 0.497 56 T N 0.643 115.147 114.554 -0.083 0.000 3.496 56 T HA 0.102 4.452 4.350 0.000 0.000 0.253 56 T C 0.458 175.126 174.700 -0.053 0.000 1.134 56 T CA 0.022 62.084 62.100 -0.064 0.000 0.993 56 T CB -0.117 68.704 68.868 -0.078 0.000 1.018 56 T HN 0.589 nan 8.240 nan 0.000 0.571 57 S N -1.612 114.057 115.700 -0.052 0.000 2.631 57 S HA 0.507 4.977 4.470 0.000 0.000 0.267 57 S C 0.290 174.868 174.600 -0.036 0.000 1.096 57 S CA 0.199 58.375 58.200 -0.039 0.000 0.911 57 S CB 0.486 63.662 63.200 -0.040 0.000 1.175 57 S HN 1.628 nan 8.310 nan 0.000 0.478 58 G N 1.230 110.018 108.800 -0.019 0.000 2.707 58 G HA2 -0.070 3.890 3.960 0.000 0.000 0.279 58 G HA3 -0.070 3.890 3.960 0.000 0.000 0.279 58 G C -1.135 173.758 174.900 -0.012 0.000 1.345 58 G CA 0.585 45.683 45.100 -0.004 0.000 0.912 58 G HN 0.890 nan 8.290 nan 0.000 0.563 59 D N -0.973 119.435 120.400 0.013 0.000 2.547 59 D HA 0.585 5.226 4.640 0.000 0.000 0.231 59 D C -0.739 175.513 176.300 -0.081 0.000 1.099 59 D CA -0.389 53.575 54.000 -0.060 0.000 0.901 59 D CB 2.225 43.071 40.800 0.077 0.000 1.478 59 D HN 0.613 nan 8.370 nan 0.000 0.471 60 L N 1.135 122.167 121.223 -0.319 0.000 2.446 60 L HA 0.478 4.819 4.340 0.000 0.000 0.268 60 L C -2.026 174.601 176.870 -0.405 0.000 0.975 60 L CA -0.443 54.279 54.840 -0.195 0.000 0.848 60 L CB 0.980 42.973 42.059 -0.111 0.000 1.225 60 L HN 0.159 nan 8.230 nan 0.000 0.410 61 F N 6.198 126.151 119.950 0.005 0.000 2.361 61 F HA 0.552 5.080 4.527 0.000 0.000 0.364 61 F C 0.091 175.893 175.800 0.003 0.000 1.117 61 F CA -0.488 57.513 58.000 0.001 0.000 1.071 61 F CB 1.154 40.151 39.000 -0.005 0.000 1.188 61 F HN 0.265 nan 8.300 nan 0.000 0.464 62 I N 3.165 123.792 120.570 0.095 0.000 2.330 62 I HA 0.445 4.615 4.170 0.000 0.000 0.289 62 I C 0.972 177.128 176.117 0.065 0.000 1.001 62 I CA -0.110 61.230 61.300 0.066 0.000 1.193 62 I CB 1.088 39.104 38.000 0.027 0.000 1.345 62 I HN 0.869 nan 8.210 nan 0.000 0.461 63 G N 4.925 113.760 108.800 0.058 0.000 2.990 63 G HA2 -0.338 3.622 3.960 0.000 0.000 0.225 63 G HA3 -0.338 3.622 3.960 0.000 0.000 0.225 63 G C 0.736 175.670 174.900 0.057 0.000 1.304 63 G CA 0.964 46.088 45.100 0.040 0.000 0.816 63 G HN 0.603 nan 8.290 nan 0.000 0.528 64 E N -1.719 118.540 120.200 0.099 0.000 1.374 64 E HA 0.138 4.488 4.350 0.000 0.000 0.215 64 E C -0.062 176.668 176.600 0.217 0.000 1.048 64 E CA 0.953 57.424 56.400 0.119 0.000 1.129 64 E CB -0.173 29.562 29.700 0.057 0.000 4.608 64 E HN 0.442 nan 8.360 nan 0.000 0.729 65 K N 1.471 121.966 120.400 0.158 0.000 2.248 65 K HA 0.384 4.704 4.320 0.000 0.000 0.281 65 K C -0.264 176.377 176.600 0.069 0.000 1.054 65 K CA -0.470 55.907 56.287 0.151 0.000 0.903 65 K CB 1.179 33.721 32.500 0.069 0.000 1.077 65 K HN 0.015 nan 8.250 nan 0.000 0.474 66 R N 3.138 123.627 120.500 -0.018 0.000 2.481 66 R HA -0.135 4.205 4.340 0.000 0.000 0.291 66 R C 0.087 176.245 176.300 -0.237 0.000 0.934 66 R CA 0.754 56.571 56.100 -0.472 0.000 1.116 66 R CB 0.342 30.321 30.300 -0.535 0.000 0.895 66 R HN 0.624 nan 8.270 nan 0.000 0.410 67 M N 3.163 122.618 119.600 -0.241 0.000 2.313 67 M HA 0.009 4.490 4.480 0.000 0.000 0.273 67 M C 0.808 177.040 176.300 -0.113 0.000 1.049 67 M CA 0.322 55.546 55.300 -0.126 0.000 1.004 67 M CB -0.248 32.305 32.600 -0.078 0.000 1.461 67 M HN 0.666 nan 8.290 nan 0.000 0.514 68 N N 1.565 120.169 118.700 -0.160 0.000 2.310 68 N HA -0.203 4.538 4.740 0.000 0.000 0.193 68 N C 0.289 175.760 175.510 -0.066 0.000 1.001 68 N CA 1.240 54.222 53.050 -0.113 0.000 0.890 68 N CB -0.009 38.398 38.487 -0.133 0.000 0.972 68 N HN 0.440 nan 8.380 nan 0.000 0.445 69 D N -0.402 119.963 120.400 -0.059 0.000 2.540 69 D HA 0.088 4.728 4.640 0.000 0.000 0.229 69 D C -0.307 175.981 176.300 -0.021 0.000 1.250 69 D CA 0.168 54.149 54.000 -0.032 0.000 0.817 69 D CB 0.789 41.572 40.800 -0.029 0.000 1.060 69 D HN -0.000 nan 8.370 nan 0.000 0.508 70 T N 2.188 116.727 114.554 -0.025 0.000 2.845 70 T HA 0.389 4.740 4.350 0.000 0.000 0.288 70 T C -2.313 172.386 174.700 -0.002 0.000 0.980 70 T CA -1.203 60.889 62.100 -0.014 0.000 1.071 70 T CB 2.155 71.011 68.868 -0.020 0.000 0.941 70 T HN -0.145 nan 8.240 nan 0.000 0.487 71 P HA 0.219 nan 4.420 nan 0.000 0.274 71 P C -1.884 175.425 177.300 0.015 0.000 1.246 71 P CA -1.264 61.845 63.100 0.015 0.000 0.795 71 P CB -0.018 31.692 31.700 0.016 0.000 1.006 72 P HA -0.215 nan 4.420 nan 0.000 0.224 72 P C 0.823 178.124 177.300 0.002 0.000 1.268 72 P CA 1.048 64.160 63.100 0.019 0.000 0.686 72 P CB -0.712 31.006 31.700 0.031 0.000 0.830 73 A N -0.284 122.531 122.820 -0.008 0.000 3.591 73 A HA -0.337 3.983 4.320 0.000 0.000 0.335 73 A C 0.726 178.296 177.584 -0.024 0.000 3.074 73 A CA 2.996 55.019 52.037 -0.022 0.000 0.902 73 A CB -2.786 16.205 19.000 -0.015 0.000 1.059 73 A HN 0.705 nan 8.150 nan 0.000 0.428 74 E N 0.418 120.608 120.200 -0.017 0.000 2.029 74 E HA 0.588 4.939 4.350 0.000 0.000 0.276 74 E C 0.260 176.852 176.600 -0.013 0.000 1.163 74 E CA 0.380 56.769 56.400 -0.017 0.000 0.909 74 E CB 0.568 30.260 29.700 -0.013 0.000 1.046 74 E HN 0.612 nan 8.360 nan 0.000 0.406 75 R N 2.203 122.694 120.500 -0.015 0.000 2.230 75 R HA 0.100 4.440 4.340 0.000 0.000 0.165 75 R C 0.859 177.152 176.300 -0.013 0.000 0.665 75 R CA 0.572 56.666 56.100 -0.010 0.000 1.065 75 R CB 0.351 30.649 30.300 -0.004 0.000 1.439 75 R HN 0.792 nan 8.270 nan 0.000 0.460 76 G N 1.433 110.219 108.800 -0.022 0.000 2.155 76 G HA2 -0.314 3.646 3.960 0.000 0.000 0.257 76 G HA3 -0.314 3.646 3.960 0.000 0.000 0.257 76 G C 0.251 175.133 174.900 -0.029 0.000 0.983 76 G CA 0.508 45.589 45.100 -0.032 0.000 0.676 76 G HN 0.474 nan 8.290 nan 0.000 0.528 77 V N -2.515 117.389 119.914 -0.016 0.000 3.546 77 V HA 0.841 4.961 4.120 0.000 0.000 0.296 77 V C 1.195 177.296 176.094 0.011 0.000 1.082 77 V CA 0.423 62.723 62.300 -0.000 0.000 1.086 77 V CB 1.631 33.452 31.823 -0.004 0.000 1.174 77 V HN 1.396 nan 8.190 nan 0.000 0.464 78 G N 1.118 109.937 108.800 0.031 0.000 4.988 78 G HA2 0.348 4.308 3.960 0.000 0.000 0.227 78 G HA3 0.348 4.308 3.960 0.000 0.000 0.227 78 G C 0.134 174.933 174.900 -0.167 0.000 0.955 78 G CA -0.270 44.868 45.100 0.064 0.000 0.784 78 G HN 1.025 nan 8.290 nan 0.000 0.537 79 M N -0.256 119.108 119.600 -0.395 0.000 3.109 79 M HA 0.245 4.725 4.480 0.000 0.000 0.305 79 M C -0.060 175.664 176.300 -0.959 0.000 1.727 79 M CA 0.328 55.004 55.300 -1.040 0.000 1.558 79 M CB 0.678 32.570 32.600 -1.181 0.000 1.757 79 M HN -0.060 nan 8.290 nan 0.000 0.478 80 V N 4.803 124.315 119.914 -0.670 0.000 2.802 80 V HA 0.188 4.308 4.120 0.000 0.000 0.350 80 V C 0.339 176.295 176.094 -0.230 0.000 1.233 80 V CA -0.362 61.685 62.300 -0.423 0.000 1.337 80 V CB -0.726 30.927 31.823 -0.284 0.000 1.497 80 V HN 0.782 nan 8.190 nan 0.000 0.616 81 F N 0.162 119.960 119.950 -0.253 0.000 1.988 81 F HA 0.123 4.651 4.527 0.000 0.000 0.303 81 F C 1.802 177.556 175.800 -0.076 0.000 1.423 81 F CA 1.005 58.914 58.000 -0.152 0.000 1.187 81 F CB -0.757 38.182 39.000 -0.101 0.000 0.919 81 F HN 0.240 nan 8.300 nan 0.000 0.526 82 Q N -0.872 119.109 119.800 0.301 0.000 3.074 82 Q HA 0.141 4.481 4.340 0.000 0.000 0.208 82 Q C 0.206 176.406 176.000 0.334 0.000 1.163 82 Q CA -0.211 55.726 55.803 0.224 0.000 0.358 82 Q CB -0.601 28.235 28.738 0.163 0.000 5.680 82 Q HN 0.245 nan 8.270 nan 0.000 0.297 83 S N 1.056 116.900 115.700 0.240 0.000 3.139 83 S HA -0.127 4.344 4.470 0.000 0.000 0.357 83 S C -1.228 173.419 174.600 0.077 0.000 0.831 83 S CA 0.461 58.739 58.200 0.129 0.000 2.150 83 S CB -1.240 61.975 63.200 0.025 0.000 1.191 83 S HN 0.257 nan 8.310 nan 0.000 0.680 84 Y N 1.708 121.996 120.300 -0.020 0.000 2.484 84 Y HA 0.404 4.954 4.550 0.000 0.000 0.348 84 Y C 0.294 176.141 175.900 -0.090 0.000 1.103 84 Y CA -0.928 57.141 58.100 -0.052 0.000 1.317 84 Y CB 0.436 38.855 38.460 -0.069 0.000 1.096 84 Y HN 0.636 nan 8.280 nan 0.000 0.568 85 A N 3.568 126.376 122.820 -0.021 0.000 2.550 85 A HA 0.224 4.544 4.320 0.000 0.000 0.263 85 A C 0.215 177.732 177.584 -0.112 0.000 1.065 85 A CA -0.021 51.983 52.037 -0.054 0.000 0.786 85 A CB -0.463 18.500 19.000 -0.061 0.000 0.985 85 A HN 0.647 nan 8.150 nan 0.000 0.518 86 L N 2.180 123.331 121.223 -0.121 0.000 2.428 86 L HA -0.001 4.339 4.340 0.000 0.000 0.266 86 L C 0.325 177.071 176.870 -0.208 0.000 1.269 86 L CA 0.576 55.293 54.840 -0.206 0.000 0.821 86 L CB -0.302 41.689 42.059 -0.112 0.000 1.095 86 L HN 0.575 nan 8.230 nan 0.000 0.559 87 Y N 0.762 121.009 120.300 -0.088 0.000 2.486 87 Y HA 0.222 4.772 4.550 0.000 0.000 0.348 87 Y C -1.460 174.315 175.900 -0.208 0.000 1.000 87 Y CA -2.339 55.667 58.100 -0.156 0.000 1.253 87 Y CB -0.200 38.145 38.460 -0.191 0.000 1.140 87 Y HN 0.449 nan 8.280 nan 0.000 0.526 88 P HA -0.070 nan 4.420 nan 0.000 0.244 88 P C 0.314 177.314 177.300 -0.501 0.000 1.211 88 P CA 1.454 64.326 63.100 -0.381 0.000 0.760 88 P CB 0.264 31.671 31.700 -0.489 0.000 0.961 89 H N -3.224 115.857 119.070 0.018 0.000 3.622 89 H HA 0.255 4.812 4.556 0.000 0.000 0.259 89 H C 0.133 175.441 175.328 -0.033 0.000 1.145 89 H CA -0.292 55.744 56.048 -0.020 0.000 1.178 89 H CB 0.413 30.147 29.762 -0.047 0.000 1.542 89 H HN 0.067 nan 8.280 nan 0.000 0.586 90 L N 1.426 122.682 121.223 0.054 0.000 2.289 90 L HA 0.245 4.585 4.340 0.000 0.000 0.285 90 L C 1.100 177.987 176.870 0.029 0.000 1.049 90 L CA 0.028 54.880 54.840 0.020 0.000 0.804 90 L CB 1.636 43.693 42.059 -0.003 0.000 1.195 90 L HN -0.013 nan 8.230 nan 0.000 0.428 91 S N 1.670 117.383 115.700 0.021 0.000 2.592 91 S HA 0.119 4.590 4.470 0.000 0.000 0.256 91 S C 1.513 176.122 174.600 0.014 0.000 1.369 91 S CA -0.408 57.800 58.200 0.014 0.000 0.984 91 S CB 0.665 63.872 63.200 0.010 0.000 0.919 91 S HN 0.372 nan 8.310 nan 0.000 0.576 92 V N 2.935 122.849 119.914 0.001 0.000 2.220 92 V HA -0.185 3.935 4.120 0.000 0.000 0.246 92 V C 2.808 178.909 176.094 0.013 0.000 1.049 92 V CA 2.385 64.683 62.300 -0.003 0.000 1.003 92 V CB -1.698 30.108 31.823 -0.027 0.000 0.634 92 V HN 0.987 nan 8.190 nan 0.000 0.444 93 A N -0.341 122.486 122.820 0.011 0.000 2.032 93 A HA -0.291 4.030 4.320 0.000 0.000 0.221 93 A C 2.158 179.765 177.584 0.037 0.000 1.165 93 A CA 2.268 54.318 52.037 0.022 0.000 0.645 93 A CB -0.537 18.474 19.000 0.018 0.000 0.807 93 A HN 0.640 nan 8.150 nan 0.000 0.453 94 E N 0.152 120.374 120.200 0.036 0.000 2.076 94 E HA -0.107 4.243 4.350 0.000 0.000 0.190 94 E C 1.833 178.482 176.600 0.082 0.000 0.979 94 E CA 1.523 57.952 56.400 0.048 0.000 0.807 94 E CB -0.410 29.306 29.700 0.028 0.000 0.761 94 E HN 0.743 nan 8.360 nan 0.000 0.454 95 N N -0.932 117.817 118.700 0.082 0.000 2.135 95 N HA -0.036 4.704 4.740 0.000 0.000 0.186 95 N C 0.489 176.077 175.510 0.131 0.000 1.027 95 N CA 0.419 53.546 53.050 0.129 0.000 0.849 95 N CB -0.002 38.535 38.487 0.083 0.000 1.002 95 N HN 0.165 nan 8.380 nan 0.000 0.425 96 M N 0.604 120.249 119.600 0.076 0.000 3.760 96 M HA -0.012 4.468 4.480 0.000 0.000 0.176 96 M C 0.338 176.685 176.300 0.078 0.000 1.614 96 M CA 0.318 55.654 55.300 0.059 0.000 1.750 96 M CB -0.021 32.598 32.600 0.032 0.000 1.202 96 M HN 0.194 nan 8.290 nan 0.000 0.518 97 S N -0.624 115.153 115.700 0.127 0.000 5.361 97 S HA -0.056 4.414 4.470 0.000 0.000 0.140 97 S C 0.780 175.511 174.600 0.219 0.000 1.100 97 S CA 0.082 58.361 58.200 0.132 0.000 1.373 97 S CB -0.357 62.910 63.200 0.112 0.000 1.803 97 S HN 0.607 nan 8.310 nan 0.000 0.495 98 F N 2.552 122.550 119.950 0.080 0.000 2.043 98 F HA -0.290 4.237 4.527 0.000 0.000 0.207 98 F C 1.101 176.943 175.800 0.070 0.000 1.217 98 F CA 2.828 60.893 58.000 0.109 0.000 1.938 98 F CB -1.488 37.655 39.000 0.238 0.000 0.577 98 F HN 0.505 nan 8.300 nan 0.000 0.319 99 G N -0.277 108.439 108.800 -0.140 0.000 3.936 99 G HA2 0.441 4.401 3.960 0.000 0.000 0.296 99 G HA3 0.441 4.401 3.960 0.000 0.000 0.296 99 G C 0.598 175.410 174.900 -0.146 0.000 1.121 99 G CA 0.315 45.187 45.100 -0.379 0.000 0.899 99 G HN 0.369 nan 8.290 nan 0.000 0.542 100 L N -0.280 120.917 121.223 -0.044 0.000 3.086 100 L HA 0.324 4.664 4.340 0.000 0.000 0.274 100 L C 1.936 178.808 176.870 0.003 0.000 1.184 100 L CA 0.373 55.201 54.840 -0.020 0.000 1.002 100 L CB 0.534 42.593 42.059 -0.000 0.000 1.383 100 L HN 0.333 nan 8.230 nan 0.000 0.582 101 K N 0.409 120.820 120.400 0.019 0.000 2.063 101 K HA 0.015 4.336 4.320 0.000 0.000 0.204 101 K C 1.866 178.480 176.600 0.023 0.000 1.039 101 K CA 0.321 56.630 56.287 0.036 0.000 0.957 101 K CB 0.360 32.904 32.500 0.073 0.000 0.764 101 K HN 0.024 nan 8.250 nan 0.000 0.447 102 L N 1.261 122.496 121.223 0.020 0.000 2.035 102 L HA -0.231 4.110 4.340 0.000 0.000 0.243 102 L C 1.088 177.958 176.870 0.000 0.000 1.100 102 L CA 1.813 56.659 54.840 0.009 0.000 0.835 102 L CB -0.902 41.148 42.059 -0.016 0.000 0.927 102 L HN 0.359 nan 8.230 nan 0.000 0.442 103 A N -0.442 122.370 122.820 -0.015 0.000 2.506 103 A HA 0.520 4.841 4.320 0.000 0.000 0.320 103 A C 0.330 177.907 177.584 -0.011 0.000 1.424 103 A CA 0.513 52.542 52.037 -0.013 0.000 1.044 103 A CB 0.174 19.161 19.000 -0.021 0.000 1.140 103 A HN 0.665 nan 8.150 nan 0.000 0.538 104 G N 0.420 109.218 108.800 -0.003 0.000 2.637 104 G HA2 0.466 4.426 3.960 0.000 0.000 0.112 104 G HA3 0.466 4.426 3.960 0.000 0.000 0.112 104 G C 0.479 175.382 174.900 0.004 0.000 1.181 104 G CA 0.189 45.289 45.100 0.000 0.000 1.150 104 G HN 1.251 nan 8.290 nan 0.000 0.561 105 A N 0.209 123.034 122.820 0.008 0.000 2.281 105 A HA 0.426 4.746 4.320 0.000 0.000 0.231 105 A C 1.549 179.140 177.584 0.011 0.000 1.317 105 A CA 1.532 53.575 52.037 0.010 0.000 0.959 105 A CB -1.145 17.862 19.000 0.012 0.000 0.900 105 A HN 0.867 nan 8.150 nan 0.000 0.497 106 K N -1.878 118.529 120.400 0.011 0.000 5.625 106 K HA -0.337 3.983 4.320 0.000 0.000 0.420 106 K C 1.556 178.166 176.600 0.016 0.000 0.485 106 K CA 2.119 58.413 56.287 0.012 0.000 1.772 106 K CB -0.699 31.807 32.500 0.010 0.000 1.074 106 K HN 0.468 nan 8.250 nan 0.000 0.653 107 K N 0.432 120.842 120.400 0.017 0.000 2.826 107 K HA 0.073 4.393 4.320 0.000 0.000 0.187 107 K C -0.460 176.152 176.600 0.020 0.000 1.662 107 K CA 0.506 56.804 56.287 0.019 0.000 1.307 107 K CB 0.798 33.307 32.500 0.015 0.000 1.792 107 K HN 0.199 nan 8.250 nan 0.000 0.618 108 E N 2.236 122.447 120.200 0.017 0.000 2.545 108 E HA 0.060 4.411 4.350 0.000 0.000 0.271 108 E C 0.857 177.469 176.600 0.019 0.000 1.508 108 E CA -0.238 56.173 56.400 0.017 0.000 1.774 108 E CB 0.334 30.043 29.700 0.014 0.000 1.460 108 E HN -0.006 nan 8.360 nan 0.000 0.449 109 V N -0.197 119.731 119.914 0.023 0.000 2.581 109 V HA -0.091 4.029 4.120 0.000 0.000 0.240 109 V C 1.435 177.547 176.094 0.031 0.000 1.054 109 V CA 0.683 62.999 62.300 0.027 0.000 1.076 109 V CB 0.105 31.947 31.823 0.031 0.000 0.748 109 V HN 0.343 nan 8.190 nan 0.000 0.474 110 I N 1.109 121.699 120.570 0.033 0.000 3.684 110 I HA 0.074 4.245 4.170 0.000 0.000 0.304 110 I C 1.451 177.584 176.117 0.027 0.000 1.278 110 I CA 0.895 62.215 61.300 0.033 0.000 1.272 110 I CB -0.673 37.348 38.000 0.036 0.000 1.029 110 I HN 0.273 nan 8.210 nan 0.000 0.458 111 N N -0.593 118.122 118.700 0.024 0.000 2.204 111 N HA 0.137 4.877 4.740 0.000 0.000 0.219 111 N C 0.912 176.434 175.510 0.020 0.000 1.151 111 N CA 0.238 53.300 53.050 0.021 0.000 0.867 111 N CB 0.473 38.971 38.487 0.018 0.000 1.043 111 N HN 0.313 nan 8.380 nan 0.000 0.516 112 Q N -1.096 118.718 119.800 0.022 0.000 1.678 112 Q HA 0.282 4.623 4.340 0.000 0.000 0.146 112 Q C 1.014 177.029 176.000 0.025 0.000 0.446 112 Q CA -0.531 55.285 55.803 0.021 0.000 0.743 112 Q CB 0.449 29.198 28.738 0.019 0.000 0.832 112 Q HN -0.017 nan 8.270 nan 0.000 0.227 113 R N 0.918 121.434 120.500 0.026 0.000 2.127 113 R HA -0.045 4.296 4.340 0.000 0.000 0.238 113 R C 1.515 177.835 176.300 0.034 0.000 1.134 113 R CA 1.363 57.482 56.100 0.031 0.000 0.975 113 R CB -0.104 30.216 30.300 0.033 0.000 0.865 113 R HN 0.107 nan 8.270 nan 0.000 0.447 114 V N 1.407 121.340 119.914 0.033 0.000 3.350 114 V HA 0.037 4.157 4.120 0.000 0.000 0.354 114 V C 0.257 176.369 176.094 0.031 0.000 1.257 114 V CA 0.689 63.009 62.300 0.033 0.000 1.323 114 V CB -0.445 31.399 31.823 0.036 0.000 1.201 114 V HN 0.287 nan 8.190 nan 0.000 0.447 115 N N -0.029 118.689 118.700 0.030 0.000 2.357 115 N HA 0.016 4.756 4.740 0.000 0.000 0.260 115 N C 1.566 177.093 175.510 0.029 0.000 1.035 115 N CA 0.160 53.227 53.050 0.028 0.000 0.839 115 N CB 0.068 38.571 38.487 0.025 0.000 1.723 115 N HN 0.281 nan 8.380 nan 0.000 0.617 116 Q N 0.590 120.408 119.800 0.029 0.000 2.437 116 Q HA 0.119 4.459 4.340 0.000 0.000 0.210 116 Q C 0.001 176.021 176.000 0.035 0.000 0.972 116 Q CA 1.287 57.108 55.803 0.030 0.000 0.903 116 Q CB 0.248 29.003 28.738 0.029 0.000 0.967 116 Q HN 0.188 nan 8.270 nan 0.000 0.486 117 V N -0.703 119.232 119.914 0.037 0.000 3.172 117 V HA 0.448 4.568 4.120 0.000 0.000 0.343 117 V C 0.689 176.804 176.094 0.035 0.000 1.429 117 V CA 0.384 62.707 62.300 0.039 0.000 1.149 117 V CB 0.296 32.147 31.823 0.046 0.000 1.106 117 V HN 0.294 nan 8.190 nan 0.000 0.526 118 A N 1.387 124.228 122.820 0.034 0.000 1.920 118 A HA 0.058 4.378 4.320 0.000 0.000 0.209 118 A C 1.992 179.600 177.584 0.039 0.000 1.229 118 A CA 1.073 53.131 52.037 0.034 0.000 0.671 118 A CB -0.018 19.002 19.000 0.032 0.000 0.886 118 A HN 0.618 nan 8.150 nan 0.000 0.461 119 E N 0.957 121.180 120.200 0.038 0.000 2.204 119 E HA -0.151 4.199 4.350 0.000 0.000 0.195 119 E C 1.632 178.255 176.600 0.039 0.000 0.990 119 E CA 1.705 58.129 56.400 0.040 0.000 0.821 119 E CB -0.860 28.860 29.700 0.033 0.000 0.750 119 E HN 0.545 nan 8.360 nan 0.000 0.477 120 V N 0.044 119.981 119.914 0.037 0.000 2.407 120 V HA -0.160 3.960 4.120 0.000 0.000 0.248 120 V C 2.099 178.217 176.094 0.039 0.000 1.055 120 V CA 1.406 63.728 62.300 0.037 0.000 1.049 120 V CB -0.697 31.149 31.823 0.040 0.000 0.662 120 V HN 0.318 nan 8.190 nan 0.000 0.455 121 L N -0.028 121.221 121.223 0.042 0.000 2.633 121 L HA -0.030 4.310 4.340 0.000 0.000 0.235 121 L C 2.048 178.955 176.870 0.062 0.000 1.163 121 L CA 1.516 56.383 54.840 0.046 0.000 0.859 121 L CB -0.990 41.093 42.059 0.040 0.000 0.973 121 L HN 0.643 nan 8.230 nan 0.000 0.451 122 Q N -0.660 119.177 119.800 0.061 0.000 2.393 122 Q HA -0.255 4.085 4.340 0.000 0.000 0.235 122 Q C 0.835 176.928 176.000 0.155 0.000 0.823 122 Q CA 0.659 56.499 55.803 0.062 0.000 1.284 122 Q CB -1.002 27.750 28.738 0.023 0.000 1.669 122 Q HN 0.565 nan 8.270 nan 0.000 0.597 123 L N -0.696 120.635 121.223 0.179 0.000 2.611 123 L HA 0.231 4.572 4.340 0.000 0.000 0.229 123 L C 1.692 178.681 176.870 0.198 0.000 1.137 123 L CA 0.408 55.387 54.840 0.231 0.000 0.901 123 L CB 0.011 42.114 42.059 0.074 0.000 1.098 123 L HN 0.324 nan 8.230 nan 0.000 0.456 124 A N -0.144 122.798 122.820 0.203 0.000 2.253 124 A HA -0.159 4.161 4.320 0.000 0.000 0.203 124 A C 1.680 179.364 177.584 0.168 0.000 1.272 124 A CA 1.007 53.123 52.037 0.131 0.000 0.847 124 A CB -0.890 18.164 19.000 0.090 0.000 0.772 124 A HN 0.637 nan 8.150 nan 0.000 0.494 125 H N -2.377 116.699 119.070 0.009 0.000 2.788 125 H HA 0.250 4.806 4.556 0.000 0.000 0.262 125 H C 0.514 175.847 175.328 0.009 0.000 0.968 125 H CA 0.006 56.059 56.048 0.009 0.000 1.218 125 H CB -0.393 29.374 29.762 0.008 0.000 1.443 125 H HN 0.373 nan 8.280 nan 0.000 0.478 126 L N 2.443 123.346 121.223 -0.533 0.000 3.048 126 L HA 0.286 4.626 4.340 0.000 0.000 0.234 126 L C 1.053 177.822 176.870 -0.169 0.000 1.318 126 L CA -0.195 54.419 54.840 -0.376 0.000 1.109 126 L CB 0.361 42.128 42.059 -0.487 0.000 1.480 126 L HN 0.021 nan 8.230 nan 0.000 0.495 127 L N -0.203 120.968 121.223 -0.087 0.000 2.456 127 L HA -0.076 4.264 4.340 0.000 0.000 0.224 127 L C 0.988 177.841 176.870 -0.027 0.000 1.148 127 L CA 0.975 55.793 54.840 -0.036 0.000 0.825 127 L CB -0.113 41.942 42.059 -0.007 0.000 0.937 127 L HN 0.547 nan 8.230 nan 0.000 0.450 128 D N -1.789 118.588 120.400 -0.037 0.000 2.335 128 D HA 0.038 4.678 4.640 0.000 0.000 0.284 128 D C 0.522 176.806 176.300 -0.027 0.000 1.096 128 D CA -0.231 53.756 54.000 -0.022 0.000 0.844 128 D CB 0.349 41.142 40.800 -0.012 0.000 1.454 128 D HN -0.034 nan 8.370 nan 0.000 0.526 129 R N 2.604 123.076 120.500 -0.046 0.000 3.563 129 R HA -0.093 4.247 4.340 0.000 0.000 0.297 129 R C 0.043 176.324 176.300 -0.032 0.000 0.645 129 R CA 0.570 56.644 56.100 -0.045 0.000 1.048 129 R CB -0.383 29.871 30.300 -0.076 0.000 0.914 129 R HN -0.009 nan 8.270 nan 0.000 0.358 130 K N 6.407 126.797 120.400 -0.016 0.000 2.395 130 K HA 0.014 4.335 4.320 0.000 0.000 0.283 130 K C -1.798 174.789 176.600 -0.022 0.000 1.068 130 K CA -1.035 55.246 56.287 -0.011 0.000 1.039 130 K CB 0.389 32.894 32.500 0.007 0.000 0.924 130 K HN 0.412 nan 8.250 nan 0.000 0.468 131 P HA -0.041 nan 4.420 nan 0.000 0.257 131 P C -0.751 176.523 177.300 -0.042 0.000 1.359 131 P CA 0.236 63.314 63.100 -0.036 0.000 1.239 131 P CB 0.304 31.981 31.700 -0.039 0.000 1.549 132 K N 2.522 122.903 120.400 -0.032 0.000 2.274 132 K HA 0.455 4.776 4.320 0.000 0.000 0.262 132 K C 0.691 177.278 176.600 -0.022 0.000 0.961 132 K CA -0.603 55.666 56.287 -0.030 0.000 0.833 132 K CB 1.684 34.173 32.500 -0.018 0.000 1.102 132 K HN 0.345 nan 8.250 nan 0.000 0.436 133 A N 3.248 126.054 122.820 -0.024 0.000 2.860 133 A HA -0.220 4.101 4.320 0.000 0.000 0.267 133 A C 0.502 178.077 177.584 -0.015 0.000 1.421 133 A CA 1.018 53.045 52.037 -0.017 0.000 0.831 133 A CB -1.871 17.123 19.000 -0.011 0.000 1.041 133 A HN 0.811 nan 8.150 nan 0.000 0.623 134 L N -2.954 118.257 121.223 -0.020 0.000 5.051 134 L HA -0.245 4.095 4.340 0.000 0.000 0.432 134 L C 1.019 177.882 176.870 -0.012 0.000 1.055 134 L CA 2.236 57.066 54.840 -0.016 0.000 1.095 134 L CB -2.693 39.360 42.059 -0.010 0.000 1.957 134 L HN 2.099 nan 8.230 nan 0.000 0.727 135 S N -0.355 115.338 115.700 -0.011 0.000 3.254 135 S HA 0.150 4.620 4.470 0.000 0.000 0.327 135 S C 1.379 175.979 174.600 -0.000 0.000 0.892 135 S CA 1.494 59.690 58.200 -0.007 0.000 1.357 135 S CB -1.247 61.945 63.200 -0.013 0.000 1.022 135 S HN 2.315 nan 8.310 nan 0.000 0.524 136 G N 3.065 111.867 108.800 0.003 0.000 2.514 136 G HA2 -0.060 3.900 3.960 0.000 0.000 0.265 136 G HA3 -0.060 3.900 3.960 0.000 0.000 0.265 136 G C 0.694 175.598 174.900 0.008 0.000 1.150 136 G CA 0.393 45.498 45.100 0.008 0.000 0.959 136 G HN 1.963 nan 8.290 nan 0.000 0.556 137 G N -0.827 107.981 108.800 0.013 0.000 3.528 137 G HA2 0.432 4.392 3.960 0.000 0.000 0.266 137 G HA3 0.432 4.392 3.960 0.000 0.000 0.266 137 G C 1.093 176.003 174.900 0.016 0.000 1.004 137 G CA 1.149 46.257 45.100 0.013 0.000 0.853 137 G HN 0.695 nan 8.290 nan 0.000 0.501 138 Q N -0.003 119.809 119.800 0.020 0.000 2.449 138 Q HA -0.055 4.285 4.340 0.000 0.000 0.214 138 Q C 1.775 177.781 176.000 0.010 0.000 0.986 138 Q CA 0.488 56.306 55.803 0.026 0.000 0.893 138 Q CB 0.083 28.835 28.738 0.024 0.000 0.940 138 Q HN 0.354 nan 8.270 nan 0.000 0.477 139 R N 1.190 121.691 120.500 0.002 0.000 2.747 139 R HA -0.096 4.244 4.340 0.000 0.000 0.278 139 R C 0.827 177.126 176.300 -0.002 0.000 1.153 139 R CA 1.169 57.266 56.100 -0.006 0.000 1.206 139 R CB 0.382 30.677 30.300 -0.009 0.000 1.161 139 R HN 0.457 nan 8.270 nan 0.000 0.589 140 Q N -0.758 119.037 119.800 -0.009 0.000 2.281 140 Q HA -0.318 4.023 4.340 0.000 0.000 0.148 140 Q C 0.703 176.694 176.000 -0.015 0.000 1.069 140 Q CA 2.074 57.869 55.803 -0.012 0.000 1.297 140 Q CB -1.198 27.540 28.738 -0.000 0.000 1.268 140 Q HN 0.729 nan 8.270 nan 0.000 0.952 141 R N 0.824 121.323 120.500 -0.002 0.000 2.299 141 R HA 0.148 4.488 4.340 0.000 0.000 0.197 141 R C 1.237 177.537 176.300 0.001 0.000 0.971 141 R CA 1.143 57.247 56.100 0.007 0.000 1.030 141 R CB 0.546 30.861 30.300 0.026 0.000 0.932 141 R HN 0.395 nan 8.270 nan 0.000 0.477 142 V N -1.328 118.580 119.914 -0.011 0.000 3.359 142 V HA 0.158 4.278 4.120 0.000 0.000 0.245 142 V C 1.921 177.996 176.094 -0.032 0.000 1.247 142 V CA 0.824 63.114 62.300 -0.017 0.000 1.145 142 V CB 0.352 32.164 31.823 -0.018 0.000 0.906 142 V HN 0.191 nan 8.190 nan 0.000 0.464 143 A N 1.240 124.036 122.820 -0.040 0.000 2.225 143 A HA -0.088 4.232 4.320 0.000 0.000 0.215 143 A C 1.989 179.518 177.584 -0.092 0.000 1.164 143 A CA 1.824 53.824 52.037 -0.062 0.000 0.710 143 A CB -0.637 18.331 19.000 -0.053 0.000 0.780 143 A HN 0.750 nan 8.150 nan 0.000 0.473 144 I N -4.185 116.335 120.570 -0.084 0.000 3.035 144 I HA 0.210 4.380 4.170 0.000 0.000 0.271 144 I C 2.088 178.144 176.117 -0.101 0.000 1.190 144 I CA 0.781 62.008 61.300 -0.121 0.000 1.472 144 I CB -0.816 37.117 38.000 -0.112 0.000 1.116 144 I HN 0.071 nan 8.210 nan 0.000 0.443 145 G N 3.277 112.044 108.800 -0.055 0.000 2.491 145 G HA2 -0.298 3.663 3.960 0.000 0.000 0.218 145 G HA3 -0.298 3.663 3.960 0.000 0.000 0.218 145 G C 1.831 176.721 174.900 -0.017 0.000 1.180 145 G CA 1.204 46.288 45.100 -0.026 0.000 0.774 145 G HN 0.620 nan 8.290 nan 0.000 0.562 146 R N -0.275 120.216 120.500 -0.015 0.000 2.293 146 R HA 0.041 4.382 4.340 0.000 0.000 0.219 146 R C 1.572 177.855 176.300 -0.028 0.000 1.091 146 R CA 1.709 57.814 56.100 0.008 0.000 1.004 146 R CB -0.545 29.770 30.300 0.025 0.000 0.865 146 R HN 0.278 nan 8.270 nan 0.000 0.469 147 T N 0.250 114.761 114.554 -0.072 0.000 3.000 147 T HA 0.137 4.487 4.350 0.000 0.000 0.248 147 T C 1.490 176.147 174.700 -0.072 0.000 1.034 147 T CA -0.198 61.842 62.100 -0.100 0.000 1.060 147 T CB 0.101 68.843 68.868 -0.211 0.000 0.983 147 T HN -0.046 nan 8.240 nan 0.000 0.482 148 L N 2.314 123.488 121.223 -0.082 0.000 1.948 148 L HA -0.056 4.284 4.340 0.000 0.000 0.212 148 L C 2.682 179.603 176.870 0.084 0.000 1.074 148 L CA 1.706 56.527 54.840 -0.032 0.000 0.753 148 L CB -1.011 41.033 42.059 -0.024 0.000 0.888 148 L HN 0.263 nan 8.230 nan 0.000 0.432 149 V N -2.860 117.087 119.914 0.055 0.000 3.383 149 V HA -0.055 4.065 4.120 0.000 0.000 0.272 149 V C 2.246 178.380 176.094 0.066 0.000 1.181 149 V CA 1.057 63.395 62.300 0.062 0.000 1.171 149 V CB -1.745 30.105 31.823 0.045 0.000 0.800 149 V HN 0.362 nan 8.190 nan 0.000 0.515 150 A N -0.053 122.816 122.820 0.082 0.000 1.898 150 A HA -0.091 4.230 4.320 0.000 0.000 0.216 150 A C 1.434 179.076 177.584 0.096 0.000 1.181 150 A CA 1.127 53.208 52.037 0.073 0.000 0.620 150 A CB -0.582 18.464 19.000 0.076 0.000 0.819 150 A HN 0.676 nan 8.150 nan 0.000 0.442 151 E N -0.652 119.668 120.200 0.200 0.000 2.238 151 E HA -0.179 4.171 4.350 0.000 0.000 0.219 151 E C -1.650 174.903 176.600 -0.077 0.000 1.275 151 E CA 0.212 56.669 56.400 0.095 0.000 0.714 151 E CB -1.275 28.455 29.700 0.050 0.000 1.154 151 E HN 0.688 nan 8.360 nan 0.000 0.363 152 P HA -0.061 nan 4.420 nan 0.000 0.336 152 P C 0.866 178.024 177.300 -0.236 0.000 1.435 152 P CA 0.900 63.925 63.100 -0.124 0.000 0.860 152 P CB 0.152 31.817 31.700 -0.058 0.000 2.095 153 S N -2.419 113.158 115.700 -0.206 0.000 2.613 153 S HA 0.192 4.662 4.470 0.000 0.000 0.235 153 S C 0.595 175.054 174.600 -0.235 0.000 1.073 153 S CA -0.195 57.883 58.200 -0.203 0.000 0.899 153 S CB -0.275 62.860 63.200 -0.108 0.000 0.818 153 S HN 0.152 nan 8.310 nan 0.000 0.484 154 V N 2.488 122.295 119.914 -0.179 0.000 2.487 154 V HA 0.484 4.604 4.120 0.000 0.000 0.298 154 V C -1.320 174.778 176.094 0.007 0.000 1.028 154 V CA -0.730 61.510 62.300 -0.101 0.000 0.860 154 V CB 1.343 33.153 31.823 -0.022 0.000 0.991 154 V HN 0.469 nan 8.190 nan 0.000 0.427 155 F N 5.158 125.074 119.950 -0.057 0.000 2.405 155 F HA 0.525 5.052 4.527 0.000 0.000 0.355 155 F C 0.098 175.867 175.800 -0.053 0.000 1.121 155 F CA -0.809 57.151 58.000 -0.068 0.000 1.112 155 F CB 1.331 40.277 39.000 -0.089 0.000 1.126 155 F HN 0.249 nan 8.300 nan 0.000 0.481 156 L N 6.832 128.160 121.223 0.175 0.000 2.387 156 L HA 0.378 4.719 4.340 0.000 0.000 0.259 156 L C -0.797 176.201 176.870 0.214 0.000 1.050 156 L CA -0.516 54.432 54.840 0.181 0.000 0.922 156 L CB 0.603 42.859 42.059 0.329 0.000 1.280 156 L HN 0.504 nan 8.230 nan 0.000 0.449 157 L N 2.017 123.269 121.223 0.048 0.000 2.399 157 L HA 0.506 4.846 4.340 0.000 0.000 0.265 157 L C 0.187 176.986 176.870 -0.119 0.000 1.089 157 L CA -0.038 54.775 54.840 -0.045 0.000 0.802 157 L CB 0.961 42.897 42.059 -0.204 0.000 1.180 157 L HN 0.281 nan 8.230 nan 0.000 0.454 158 D N 1.500 121.832 120.400 -0.113 0.000 2.429 158 D HA 0.182 4.823 4.640 0.000 0.000 0.255 158 D C -0.579 175.648 176.300 -0.122 0.000 1.257 158 D CA -0.321 53.596 54.000 -0.138 0.000 0.890 158 D CB 0.428 41.161 40.800 -0.111 0.000 1.267 158 D HN 0.553 nan 8.370 nan 0.000 0.521 159 E N 1.816 121.889 120.200 -0.212 0.000 2.298 159 E HA -0.143 4.207 4.350 0.000 0.000 0.235 159 E C -2.011 174.532 176.600 -0.096 0.000 1.167 159 E CA 0.393 56.725 56.400 -0.113 0.000 0.708 159 E CB -0.687 29.013 29.700 -0.000 0.000 1.236 159 E HN 0.376 nan 8.360 nan 0.000 0.386 160 P HA -0.136 nan 4.420 nan 0.000 0.216 160 P C 0.878 178.176 177.300 -0.003 0.000 1.150 160 P CA 1.077 64.128 63.100 -0.083 0.000 0.837 160 P CB 0.158 31.798 31.700 -0.100 0.000 0.786 161 L N -1.537 119.707 121.223 0.036 0.000 2.728 161 L HA 0.215 4.555 4.340 0.000 0.000 0.235 161 L C 2.043 178.943 176.870 0.050 0.000 1.197 161 L CA 0.071 54.949 54.840 0.062 0.000 0.992 161 L CB -0.645 41.477 42.059 0.106 0.000 1.263 161 L HN 0.017 nan 8.230 nan 0.000 0.484 162 S N 1.625 117.346 115.700 0.035 0.000 2.398 162 S HA -0.206 4.265 4.470 0.000 0.000 0.220 162 S C 1.136 175.753 174.600 0.029 0.000 1.038 162 S CA 1.530 59.750 58.200 0.034 0.000 1.080 162 S CB -0.192 63.025 63.200 0.027 0.000 1.039 162 S HN 0.623 nan 8.310 nan 0.000 0.419 163 N N 1.075 119.789 118.700 0.023 0.000 3.052 163 N HA 0.298 5.039 4.740 0.000 0.000 0.302 163 N C -1.346 174.176 175.510 0.021 0.000 1.332 163 N CA -0.148 52.913 53.050 0.019 0.000 1.129 163 N CB 0.109 38.605 38.487 0.016 0.000 1.436 163 N HN 0.333 nan 8.380 nan 0.000 0.536 164 L N 1.155 122.392 121.223 0.024 0.000 2.356 164 L HA 0.299 4.639 4.340 0.000 0.000 0.277 164 L C -0.283 176.599 176.870 0.020 0.000 0.996 164 L CA -1.264 53.591 54.840 0.024 0.000 0.822 164 L CB 1.454 43.532 42.059 0.031 0.000 1.256 164 L HN 0.243 nan 8.230 nan 0.000 0.413 165 D N 2.489 122.898 120.400 0.016 0.000 2.362 165 D HA 0.295 4.936 4.640 0.000 0.000 0.242 165 D C 0.329 176.635 176.300 0.010 0.000 1.132 165 D CA -0.375 53.631 54.000 0.011 0.000 0.907 165 D CB 1.236 42.041 40.800 0.007 0.000 1.195 165 D HN 0.537 nan 8.370 nan 0.000 0.429 166 A N 1.177 124.001 122.820 0.006 0.000 2.521 166 A HA 0.409 4.729 4.320 0.000 0.000 0.237 166 A C 1.580 179.165 177.584 0.002 0.000 1.087 166 A CA 1.209 53.249 52.037 0.004 0.000 0.777 166 A CB -0.743 18.256 19.000 -0.001 0.000 1.035 166 A HN 1.804 nan 8.150 nan 0.000 0.510 167 A N -0.934 121.886 122.820 -0.000 0.000 4.109 167 A HA -0.227 4.093 4.320 0.000 0.000 0.250 167 A C 1.350 178.934 177.584 -0.000 0.000 0.772 167 A CA 2.089 54.125 52.037 -0.003 0.000 1.320 167 A CB -2.023 16.974 19.000 -0.005 0.000 1.076 167 A HN 1.882 nan 8.150 nan 0.000 0.723 168 L N -0.689 120.537 121.223 0.004 0.000 2.269 168 L HA 0.335 4.675 4.340 0.000 0.000 0.200 168 L C 2.241 179.121 176.870 0.016 0.000 1.069 168 L CA 2.115 56.960 54.840 0.008 0.000 0.804 168 L CB -0.492 41.572 42.059 0.009 0.000 0.987 168 L HN 0.519 nan 8.230 nan 0.000 0.468 169 R N -0.689 119.823 120.500 0.019 0.000 2.103 169 R HA -0.163 4.177 4.340 0.000 0.000 0.242 169 R C 1.943 178.259 176.300 0.025 0.000 1.142 169 R CA 2.139 58.256 56.100 0.029 0.000 0.960 169 R CB -0.592 29.726 30.300 0.030 0.000 0.858 169 R HN 0.294 nan 8.270 nan 0.000 0.439 170 V N 1.229 121.150 119.914 0.013 0.000 2.287 170 V HA -0.304 3.816 4.120 0.000 0.000 0.248 170 V C 2.403 178.500 176.094 0.005 0.000 1.053 170 V CA 2.249 64.551 62.300 0.003 0.000 1.027 170 V CB -0.566 31.255 31.823 -0.004 0.000 0.646 170 V HN 0.507 nan 8.190 nan 0.000 0.447 171 Q N -1.386 118.419 119.800 0.009 0.000 2.119 171 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 171 Q C 2.287 178.301 176.000 0.023 0.000 0.972 171 Q CA 1.279 57.089 55.803 0.012 0.000 0.847 171 Q CB -0.203 28.541 28.738 0.010 0.000 0.903 171 Q HN 0.463 nan 8.270 nan 0.000 0.433 172 M N 0.110 119.729 119.600 0.032 0.000 2.229 172 M HA -0.118 4.362 4.480 0.000 0.000 0.264 172 M C 2.004 178.337 176.300 0.055 0.000 1.063 172 M CA 1.397 56.725 55.300 0.048 0.000 1.114 172 M CB -0.902 31.733 32.600 0.059 0.000 1.387 172 M HN 0.170 nan 8.290 nan 0.000 0.420 173 R N 0.764 121.285 120.500 0.036 0.000 2.070 173 R HA -0.099 4.242 4.340 0.000 0.000 0.233 173 R C 2.116 178.413 176.300 -0.006 0.000 1.137 173 R CA 1.501 57.605 56.100 0.006 0.000 0.945 173 R CB -0.350 29.937 30.300 -0.021 0.000 0.845 173 R HN 0.298 nan 8.270 nan 0.000 0.430 174 I N 1.042 121.611 120.570 -0.000 0.000 2.335 174 I HA -0.240 3.930 4.170 0.000 0.000 0.251 174 I C 2.005 178.138 176.117 0.027 0.000 1.129 174 I CA 1.155 62.457 61.300 0.004 0.000 1.402 174 I CB -0.160 37.842 38.000 0.004 0.000 1.069 174 I HN 0.284 nan 8.210 nan 0.000 0.424 175 E N 0.376 120.601 120.200 0.041 0.000 2.140 175 E HA 0.051 4.401 4.350 0.000 0.000 0.191 175 E C 2.165 178.820 176.600 0.092 0.000 0.973 175 E CA 0.657 57.093 56.400 0.060 0.000 0.829 175 E CB 0.060 29.792 29.700 0.052 0.000 0.781 175 E HN 0.487 nan 8.360 nan 0.000 0.466 176 I N 1.450 122.083 120.570 0.105 0.000 3.241 176 I HA -0.158 4.013 4.170 0.000 0.000 0.280 176 I C 1.573 177.833 176.117 0.238 0.000 1.320 176 I CA 0.455 61.859 61.300 0.172 0.000 1.413 176 I CB -0.025 38.102 38.000 0.212 0.000 1.060 176 I HN -0.051 nan 8.210 nan 0.000 0.500 177 S N 0.141 115.936 115.700 0.158 0.000 2.421 177 S HA -0.045 4.426 4.470 0.000 0.000 0.224 177 S C 2.026 176.751 174.600 0.209 0.000 1.035 177 S CA 0.299 58.608 58.200 0.180 0.000 0.953 177 S CB -0.077 63.163 63.200 0.067 0.000 0.810 177 S HN 0.428 nan 8.310 nan 0.000 0.497 178 R N 1.227 121.812 120.500 0.142 0.000 2.080 178 R HA -0.091 4.250 4.340 0.000 0.000 0.236 178 R C 2.345 178.727 176.300 0.137 0.000 1.137 178 R CA 1.450 57.618 56.100 0.114 0.000 0.943 178 R CB -0.637 29.712 30.300 0.082 0.000 0.846 178 R HN 0.348 nan 8.270 nan 0.000 0.431 179 L N 0.634 121.954 121.223 0.162 0.000 1.971 179 L HA -0.262 4.078 4.340 0.000 0.000 0.215 179 L C 2.463 179.467 176.870 0.222 0.000 1.072 179 L CA 2.610 57.560 54.840 0.183 0.000 0.758 179 L CB -0.823 41.353 42.059 0.196 0.000 0.889 179 L HN 0.373 nan 8.230 nan 0.000 0.433 180 H N -0.084 119.094 119.070 0.181 0.000 2.265 180 H HA -0.202 4.354 4.556 0.000 0.000 0.293 180 H C 2.059 177.457 175.328 0.116 0.000 1.089 180 H CA 2.298 58.447 56.048 0.167 0.000 1.244 180 H CB -0.079 29.862 29.762 0.298 0.000 1.355 180 H HN 0.187 nan 8.280 nan 0.000 0.485 181 K N 0.258 120.692 120.400 0.056 0.000 2.362 181 K HA -0.081 4.239 4.320 0.000 0.000 0.200 181 K C 2.291 178.875 176.600 -0.026 0.000 1.046 181 K CA 0.655 56.920 56.287 -0.038 0.000 0.952 181 K CB -0.052 32.484 32.500 0.059 0.000 0.753 181 K HN 0.360 nan 8.250 nan 0.000 0.466 182 R N 0.933 121.441 120.500 0.014 0.000 2.240 182 R HA 0.011 4.352 4.340 0.000 0.000 0.203 182 R C 0.205 176.499 176.300 -0.010 0.000 1.011 182 R CA 0.472 56.581 56.100 0.014 0.000 1.007 182 R CB 0.207 30.532 30.300 0.043 0.000 0.911 182 R HN 0.050 nan 8.270 nan 0.000 0.468 183 L N -2.901 118.302 121.223 -0.034 0.000 2.549 183 L HA 0.513 4.854 4.340 0.000 0.000 0.260 183 L C -0.129 176.664 176.870 -0.128 0.000 1.109 183 L CA -1.110 53.691 54.840 -0.064 0.000 0.900 183 L CB 1.330 43.363 42.059 -0.042 0.000 1.119 183 L HN -0.113 nan 8.230 nan 0.000 0.471 184 G N 2.856 111.569 108.800 -0.145 0.000 2.459 184 G HA2 0.069 4.029 3.960 0.000 0.000 0.290 184 G HA3 0.069 4.029 3.960 0.000 0.000 0.290 184 G C 0.074 174.877 174.900 -0.161 0.000 0.646 184 G CA -0.088 44.904 45.100 -0.179 0.000 2.078 184 G HN 0.488 nan 8.290 nan 0.000 0.508 185 R N 1.392 121.777 120.500 -0.192 0.000 2.534 185 R HA 0.323 4.663 4.340 0.000 0.000 0.301 185 R C 0.081 176.301 176.300 -0.133 0.000 0.961 185 R CA -0.763 55.202 56.100 -0.226 0.000 0.871 185 R CB 0.868 30.886 30.300 -0.469 0.000 1.170 185 R HN 0.193 nan 8.270 nan 0.000 0.446 186 T N 4.097 118.594 114.554 -0.096 0.000 2.866 186 T HA 0.110 4.460 4.350 0.000 0.000 0.293 186 T C 0.509 175.185 174.700 -0.039 0.000 1.005 186 T CA 0.695 62.782 62.100 -0.021 0.000 1.162 186 T CB 0.042 68.906 68.868 -0.008 0.000 0.968 186 T HN 0.285 nan 8.240 nan 0.000 0.530 187 M N 4.398 123.960 119.600 -0.064 0.000 2.204 187 M HA 0.441 4.922 4.480 0.000 0.000 0.293 187 M C -0.665 175.561 176.300 -0.124 0.000 0.994 187 M CA -0.441 54.767 55.300 -0.154 0.000 0.925 187 M CB 2.035 34.285 32.600 -0.583 0.000 1.577 187 M HN 0.406 nan 8.290 nan 0.000 0.439 188 I N 3.470 124.017 120.570 -0.039 0.000 2.361 188 I HA 0.274 4.444 4.170 0.000 0.000 0.282 188 I C -0.850 175.245 176.117 -0.036 0.000 1.075 188 I CA -0.586 60.666 61.300 -0.080 0.000 1.205 188 I CB 0.297 38.165 38.000 -0.221 0.000 1.406 188 I HN 0.603 nan 8.210 nan 0.000 0.481 189 Y N 5.759 126.049 120.300 -0.016 0.000 2.300 189 Y HA 0.476 5.026 4.550 0.000 0.000 0.328 189 Y C -0.043 175.856 175.900 -0.002 0.000 1.270 189 Y CA 0.039 58.183 58.100 0.074 0.000 1.352 189 Y CB 1.262 39.918 38.460 0.326 0.000 1.286 189 Y HN 0.154 nan 8.280 nan 0.000 0.536 190 V N 3.677 123.586 119.914 -0.008 0.000 2.612 190 V HA 0.509 4.629 4.120 0.000 0.000 0.301 190 V C -0.602 175.526 176.094 0.056 0.000 1.059 190 V CA -0.389 61.936 62.300 0.041 0.000 0.886 190 V CB 1.591 33.384 31.823 -0.050 0.000 1.007 190 V HN 0.933 nan 8.190 nan 0.000 0.426 191 T N -0.504 114.130 114.554 0.133 0.000 2.731 191 T HA 0.528 4.879 4.350 0.000 0.000 0.300 191 T C -0.181 174.518 174.700 -0.002 0.000 1.283 191 T CA -0.578 61.605 62.100 0.137 0.000 1.005 191 T CB 2.353 71.366 68.868 0.242 0.000 1.420 191 T HN 0.547 nan 8.240 nan 0.000 0.503 192 H N -1.048 118.106 119.070 0.140 0.000 3.233 192 H HA 0.268 4.824 4.556 0.000 0.000 0.263 192 H C -0.538 174.836 175.328 0.077 0.000 1.168 192 H CA -0.242 55.883 56.048 0.128 0.000 1.159 192 H CB 0.812 30.634 29.762 0.100 0.000 1.593 192 H HN 0.606 nan 8.280 nan 0.000 0.580 193 D N 1.841 122.337 120.400 0.160 0.000 2.453 193 D HA 0.036 4.677 4.640 0.000 0.000 0.223 193 D C 1.009 177.342 176.300 0.055 0.000 1.183 193 D CA 0.042 54.099 54.000 0.095 0.000 0.933 193 D CB 0.758 41.617 40.800 0.099 0.000 1.038 193 D HN 0.294 nan 8.370 nan 0.000 0.513 194 Q N 1.608 121.421 119.800 0.020 0.000 2.226 194 Q HA -0.093 4.248 4.340 0.000 0.000 0.204 194 Q C 1.922 177.899 176.000 -0.038 0.000 0.975 194 Q CA 0.941 56.740 55.803 -0.006 0.000 0.866 194 Q CB 0.429 29.143 28.738 -0.039 0.000 0.915 194 Q HN 0.423 nan 8.270 nan 0.000 0.440 195 V N 0.923 120.810 119.914 -0.046 0.000 2.407 195 V HA -0.249 3.872 4.120 0.000 0.000 0.248 195 V C 1.910 177.954 176.094 -0.082 0.000 1.055 195 V CA 1.810 64.068 62.300 -0.070 0.000 1.049 195 V CB -0.398 31.388 31.823 -0.061 0.000 0.662 195 V HN 0.340 nan 8.190 nan 0.000 0.455 196 E N 0.034 120.198 120.200 -0.061 0.000 2.046 196 E HA -0.138 4.212 4.350 0.000 0.000 0.190 196 E C 2.371 178.871 176.600 -0.166 0.000 0.982 196 E CA 1.151 57.486 56.400 -0.109 0.000 0.800 196 E CB -0.323 29.357 29.700 -0.033 0.000 0.756 196 E HN 0.567 nan 8.360 nan 0.000 0.449 197 A N 0.977 123.752 122.820 -0.075 0.000 1.948 197 A HA -0.227 4.094 4.320 0.000 0.000 0.220 197 A C 2.097 179.619 177.584 -0.103 0.000 1.177 197 A CA 1.506 53.508 52.037 -0.060 0.000 0.636 197 A CB -0.342 18.678 19.000 0.034 0.000 0.815 197 A HN 0.177 nan 8.150 nan 0.000 0.449 198 M N -0.839 118.702 119.600 -0.098 0.000 2.236 198 M HA -0.041 4.439 4.480 0.000 0.000 0.266 198 M C 1.915 178.129 176.300 -0.144 0.000 1.070 198 M CA 1.750 56.985 55.300 -0.109 0.000 1.137 198 M CB -1.688 30.841 32.600 -0.119 0.000 1.378 198 M HN 0.400 nan 8.290 nan 0.000 0.426 199 T N 0.506 114.956 114.554 -0.173 0.000 3.054 199 T HA 0.183 4.533 4.350 0.000 0.000 0.259 199 T C 1.962 176.493 174.700 -0.281 0.000 1.092 199 T CA 0.638 62.624 62.100 -0.189 0.000 1.121 199 T CB 0.231 69.001 68.868 -0.163 0.000 0.912 199 T HN 0.260 nan 8.240 nan 0.000 0.489 200 L N 0.018 120.981 121.223 -0.432 0.000 2.500 200 L HA 0.457 4.798 4.340 0.000 0.000 0.219 200 L C 1.311 177.666 176.870 -0.859 0.000 1.057 200 L CA -0.252 54.123 54.840 -0.775 0.000 0.854 200 L CB -0.199 41.134 42.059 -1.210 0.000 1.078 200 L HN 0.061 nan 8.230 nan 0.000 0.480 201 A N 0.300 122.808 122.820 -0.521 0.000 2.440 201 A HA 0.073 4.393 4.320 0.000 0.000 0.251 201 A C 0.413 177.943 177.584 -0.089 0.000 1.089 201 A CA -0.194 51.693 52.037 -0.251 0.000 0.779 201 A CB 0.203 19.154 19.000 -0.082 0.000 1.022 201 A HN 0.153 nan 8.150 nan 0.000 0.492 202 D N 0.284 120.701 120.400 0.029 0.000 2.305 202 D HA 0.074 4.714 4.640 0.000 0.000 0.206 202 D C 0.460 176.808 176.300 0.080 0.000 0.974 202 D CA 1.209 55.252 54.000 0.071 0.000 0.871 202 D CB 0.364 41.247 40.800 0.138 0.000 0.947 202 D HN 0.640 nan 8.370 nan 0.000 0.516 203 K N 0.221 120.683 120.400 0.103 0.000 2.562 203 K HA 0.445 4.766 4.320 0.000 0.000 0.267 203 K C -1.878 174.802 176.600 0.134 0.000 0.938 203 K CA -0.521 55.836 56.287 0.117 0.000 0.840 203 K CB 1.859 34.445 32.500 0.143 0.000 1.390 203 K HN -0.210 nan 8.250 nan 0.000 0.428 204 I N 3.106 123.750 120.570 0.123 0.000 2.647 204 I HA 0.350 4.521 4.170 0.000 0.000 0.295 204 I C -0.876 175.307 176.117 0.110 0.000 1.078 204 I CA -1.294 60.087 61.300 0.135 0.000 1.048 204 I CB 2.179 40.242 38.000 0.104 0.000 1.239 204 I HN 0.401 nan 8.210 nan 0.000 0.421 205 V N 7.077 127.049 119.914 0.097 0.000 2.409 205 V HA 0.530 4.651 4.120 0.000 0.000 0.291 205 V C -0.805 175.242 176.094 -0.079 0.000 1.020 205 V CA -0.324 61.962 62.300 -0.024 0.000 0.848 205 V CB 1.870 33.606 31.823 -0.146 0.000 0.990 205 V HN 0.433 nan 8.190 nan 0.000 0.430 206 V N 8.193 128.072 119.914 -0.058 0.000 2.406 206 V HA 0.435 4.555 4.120 0.000 0.000 0.272 206 V C 0.293 176.322 176.094 -0.108 0.000 1.043 206 V CA -0.232 62.016 62.300 -0.087 0.000 0.915 206 V CB 1.065 32.870 31.823 -0.029 0.000 0.988 206 V HN 0.814 nan 8.190 nan 0.000 0.466 207 L N 4.025 125.145 121.223 -0.172 0.000 2.352 207 L HA 0.689 5.029 4.340 0.000 0.000 0.269 207 L C -0.527 176.237 176.870 -0.176 0.000 1.034 207 L CA -0.447 54.284 54.840 -0.181 0.000 0.806 207 L CB 1.809 43.740 42.059 -0.214 0.000 1.244 207 L HN 0.681 nan 8.230 nan 0.000 0.447 208 D N 1.427 121.672 120.400 -0.258 0.000 2.470 208 D HA 0.466 5.106 4.640 0.000 0.000 0.233 208 D C -0.241 175.869 176.300 -0.317 0.000 1.372 208 D CA 0.011 53.742 54.000 -0.449 0.000 0.994 208 D CB 1.315 41.504 40.800 -1.018 0.000 1.377 208 D HN 0.792 nan 8.370 nan 0.000 0.586 209 A N 3.064 125.756 122.820 -0.214 0.000 2.610 209 A HA 0.173 4.493 4.320 0.000 0.000 0.299 209 A C 1.681 179.190 177.584 -0.126 0.000 1.487 209 A CA 1.765 53.716 52.037 -0.143 0.000 0.743 209 A CB -2.010 16.898 19.000 -0.153 0.000 1.070 209 A HN 1.976 nan 8.150 nan 0.000 0.439 210 G N -1.900 106.830 108.800 -0.117 0.000 2.284 210 G HA2 -0.274 3.686 3.960 0.000 0.000 0.247 210 G HA3 -0.274 3.686 3.960 0.000 0.000 0.247 210 G C 0.392 175.218 174.900 -0.123 0.000 1.012 210 G CA 1.343 46.377 45.100 -0.110 0.000 0.618 210 G HN 1.589 nan 8.290 nan 0.000 0.521 211 R N -0.276 120.140 120.500 -0.141 0.000 2.608 211 R HA 0.682 5.022 4.340 0.000 0.000 0.255 211 R C -0.015 176.199 176.300 -0.144 0.000 1.086 211 R CA -0.279 55.743 56.100 -0.131 0.000 1.125 211 R CB 1.207 31.431 30.300 -0.126 0.000 1.193 211 R HN 0.186 nan 8.270 nan 0.000 0.553 212 V N 3.550 123.395 119.914 -0.115 0.000 2.318 212 V HA 0.261 4.381 4.120 0.000 0.000 0.271 212 V C 0.933 176.991 176.094 -0.060 0.000 1.030 212 V CA 0.181 62.416 62.300 -0.107 0.000 0.844 212 V CB 0.516 32.282 31.823 -0.095 0.000 1.015 212 V HN 1.012 nan 8.190 nan 0.000 0.460 213 A N 4.600 127.399 122.820 -0.036 0.000 1.865 213 A HA -0.079 4.241 4.320 0.000 0.000 0.217 213 A C 0.902 178.527 177.584 0.068 0.000 1.191 213 A CA 1.895 53.966 52.037 0.056 0.000 0.623 213 A CB -0.056 19.081 19.000 0.228 0.000 0.826 213 A HN 0.960 nan 8.150 nan 0.000 0.444 214 Q N -2.698 117.133 119.800 0.050 0.000 2.686 214 Q HA 0.509 4.849 4.340 0.000 0.000 0.266 214 Q C -2.029 173.998 176.000 0.046 0.000 0.965 214 Q CA -0.753 55.084 55.803 0.058 0.000 0.894 214 Q CB 0.989 29.785 28.738 0.096 0.000 1.583 214 Q HN 0.198 nan 8.270 nan 0.000 0.405 215 V N 0.737 120.682 119.914 0.052 0.000 2.881 215 V HA 1.027 5.147 4.120 0.000 0.000 0.316 215 V C 0.372 176.516 176.094 0.084 0.000 1.070 215 V CA 0.167 62.503 62.300 0.060 0.000 0.976 215 V CB 1.528 33.384 31.823 0.055 0.000 1.038 215 V HN 1.139 nan 8.190 nan 0.000 0.446 216 G N 1.589 110.445 108.800 0.095 0.000 2.352 216 G HA2 0.217 4.177 3.960 0.000 0.000 0.305 216 G HA3 0.217 4.177 3.960 0.000 0.000 0.305 216 G C -1.333 173.629 174.900 0.104 0.000 1.537 216 G CA -1.136 44.026 45.100 0.103 0.000 0.959 216 G HN 0.635 nan 8.290 nan 0.000 0.668 217 K N 1.652 122.113 120.400 0.101 0.000 2.397 217 K HA 0.207 4.527 4.320 0.000 0.000 0.265 217 K C -1.448 175.208 176.600 0.094 0.000 0.982 217 K CA -0.604 55.737 56.287 0.089 0.000 0.931 217 K CB 0.714 33.264 32.500 0.084 0.000 0.943 217 K HN 0.173 nan 8.250 nan 0.000 0.501 218 P HA -0.234 nan 4.420 nan 0.000 0.209 218 P C 1.027 178.372 177.300 0.073 0.000 1.167 218 P CA 1.161 64.287 63.100 0.044 0.000 0.941 218 P CB 0.086 31.780 31.700 -0.009 0.000 0.787 219 L N -0.768 120.502 121.223 0.077 0.000 2.349 219 L HA -0.165 4.175 4.340 0.000 0.000 0.220 219 L C 2.247 179.256 176.870 0.231 0.000 1.130 219 L CA 1.636 56.553 54.840 0.129 0.000 0.791 219 L CB -1.492 40.681 42.059 0.190 0.000 0.918 219 L HN 0.076 nan 8.230 nan 0.000 0.444 220 E N -0.838 119.498 120.200 0.226 0.000 2.076 220 E HA -0.122 4.229 4.350 0.000 0.000 0.190 220 E C 2.218 178.970 176.600 0.253 0.000 0.979 220 E CA 0.532 57.109 56.400 0.296 0.000 0.807 220 E CB 0.043 29.884 29.700 0.235 0.000 0.761 220 E HN 0.443 nan 8.360 nan 0.000 0.454 221 L N 0.020 121.355 121.223 0.188 0.000 2.217 221 L HA -0.124 4.216 4.340 0.000 0.000 0.211 221 L C 2.322 179.286 176.870 0.157 0.000 1.107 221 L CA 0.647 55.586 54.840 0.166 0.000 0.783 221 L CB -0.370 41.771 42.059 0.136 0.000 0.919 221 L HN 0.252 nan 8.230 nan 0.000 0.442 222 Y N 0.171 120.457 120.300 -0.025 0.000 2.153 222 Y HA -0.184 4.366 4.550 0.000 0.000 0.289 222 Y C 2.859 178.687 175.900 -0.121 0.000 1.127 222 Y CA 1.561 59.584 58.100 -0.129 0.000 1.131 222 Y CB -0.191 38.108 38.460 -0.270 0.000 0.995 222 Y HN 0.126 nan 8.280 nan 0.000 0.505 223 H N -1.699 117.278 119.070 -0.155 0.000 2.372 223 H HA 0.000 4.557 4.556 0.000 0.000 0.301 223 H C 0.035 175.022 175.328 -0.567 0.000 1.065 223 H CA 1.366 57.106 56.048 -0.513 0.000 1.364 223 H CB -0.339 28.951 29.762 -0.787 0.000 1.406 223 H HN 0.303 nan 8.280 nan 0.000 0.521 224 Y N 1.537 121.987 120.300 0.250 0.000 2.635 224 Y HA 0.268 4.818 4.550 0.000 0.000 0.373 224 Y C -2.153 173.856 175.900 0.182 0.000 1.000 224 Y CA -3.230 54.982 58.100 0.187 0.000 1.219 224 Y CB 0.182 38.718 38.460 0.126 0.000 1.294 224 Y HN 0.034 nan 8.280 nan 0.000 0.612 225 P HA -0.007 nan 4.420 nan 0.000 0.263 225 P C 0.693 178.164 177.300 0.285 0.000 1.195 225 P CA 0.450 63.708 63.100 0.262 0.000 0.762 225 P CB 1.610 33.457 31.700 0.245 0.000 0.799 226 A N 3.558 126.517 122.820 0.231 0.000 2.125 226 A HA -0.093 4.227 4.320 0.000 0.000 0.219 226 A C 0.638 178.368 177.584 0.244 0.000 1.156 226 A CA 1.564 53.722 52.037 0.202 0.000 0.671 226 A CB -0.734 18.359 19.000 0.155 0.000 0.794 226 A HN 0.733 nan 8.150 nan 0.000 0.459 227 D N -5.127 115.470 120.400 0.328 0.000 2.769 227 D HA 0.139 4.780 4.640 0.000 0.000 0.309 227 D C 0.432 176.932 176.300 0.333 0.000 1.315 227 D CA -0.538 53.704 54.000 0.403 0.000 0.780 227 D CB -0.003 40.949 40.800 0.254 0.000 1.312 227 D HN -0.137 nan 8.370 nan 0.000 0.437 228 R N -0.865 119.669 120.500 0.055 0.000 2.115 228 R HA -0.159 4.182 4.340 0.000 0.000 0.239 228 R C 2.010 178.183 176.300 -0.211 0.000 1.133 228 R CA 2.053 57.850 56.100 -0.505 0.000 0.935 228 R CB -0.608 29.384 30.300 -0.514 0.000 0.853 228 R HN 0.448 nan 8.270 nan 0.000 0.433 229 F N 0.914 120.787 119.950 -0.129 0.000 2.069 229 F HA -0.234 4.294 4.527 0.001 0.000 0.298 229 F C 1.983 177.811 175.800 0.046 0.000 1.113 229 F CA 1.735 59.706 58.000 -0.048 0.000 1.214 229 F CB -0.567 38.408 39.000 -0.041 0.000 0.978 229 F HN -0.169 nan 8.300 nan 0.000 0.474 230 V N 0.762 120.612 119.914 -0.107 0.000 2.392 230 V HA -0.305 3.816 4.120 0.000 0.000 0.249 230 V C 2.771 178.823 176.094 -0.070 0.000 1.059 230 V CA 1.775 63.997 62.300 -0.130 0.000 1.051 230 V CB -1.770 30.112 31.823 0.098 0.000 0.658 230 V HN 0.533 nan 8.190 nan 0.000 0.455 231 A N 0.598 123.423 122.820 0.008 0.000 1.930 231 A HA -0.023 4.297 4.320 0.000 0.000 0.217 231 A C 2.302 179.895 177.584 0.014 0.000 1.175 231 A CA 1.699 53.758 52.037 0.037 0.000 0.627 231 A CB -0.962 18.127 19.000 0.149 0.000 0.815 231 A HN 0.549 nan 8.150 nan 0.000 0.443 232 G N -2.654 106.148 108.800 0.004 0.000 2.920 232 G HA2 0.101 4.061 3.960 0.000 0.000 0.208 232 G HA3 0.101 4.061 3.960 0.000 0.000 0.208 232 G C 1.107 175.967 174.900 -0.067 0.000 1.159 232 G CA 0.739 45.862 45.100 0.039 0.000 0.784 232 G HN 0.442 nan 8.290 nan 0.000 0.535 233 F N 0.295 120.061 119.950 -0.306 0.000 2.315 233 F HA 0.430 4.957 4.527 0.001 0.000 0.284 233 F C 0.835 176.548 175.800 -0.145 0.000 1.049 233 F CA -0.585 57.239 58.000 -0.293 0.000 1.323 233 F CB 0.261 38.936 39.000 -0.541 0.000 1.113 233 F HN -0.166 nan 8.300 nan 0.000 0.544 234 I N 1.484 122.077 120.570 0.038 0.000 2.588 234 I HA 0.396 4.567 4.170 0.000 0.000 0.283 234 I C 0.547 176.644 176.117 -0.034 0.000 1.119 234 I CA 0.294 61.607 61.300 0.022 0.000 1.419 234 I CB 0.025 38.090 38.000 0.108 0.000 1.394 234 I HN 0.429 nan 8.210 nan 0.000 0.562 235 G N 3.745 112.513 108.800 -0.053 0.000 2.777 235 G HA2 0.135 4.096 3.960 0.000 0.000 0.686 235 G HA3 0.135 4.096 3.960 0.000 0.000 0.686 235 G C -0.556 174.283 174.900 -0.103 0.000 1.177 235 G CA -0.300 44.772 45.100 -0.047 0.000 0.775 235 G HN 0.827 nan 8.290 nan 0.000 0.613 236 S N 2.267 117.911 115.700 -0.094 0.000 2.563 236 S HA 0.746 5.216 4.470 0.000 0.000 0.279 236 S C -2.234 172.317 174.600 -0.082 0.000 1.155 236 S CA -0.427 57.715 58.200 -0.097 0.000 0.928 236 S CB 1.388 64.523 63.200 -0.108 0.000 1.107 236 S HN 0.915 nan 8.310 nan 0.000 0.462 237 P HA 0.156 nan 4.420 nan 0.000 0.269 237 P C -0.437 176.807 177.300 -0.094 0.000 1.217 237 P CA -0.324 62.732 63.100 -0.074 0.000 0.783 237 P CB 0.322 31.980 31.700 -0.071 0.000 0.898 238 K N 1.657 122.008 120.400 -0.082 0.000 2.397 238 K HA 0.051 4.371 4.320 0.000 0.000 0.265 238 K C 0.314 176.823 176.600 -0.151 0.000 0.982 238 K CA -0.306 55.929 56.287 -0.086 0.000 0.931 238 K CB 0.230 32.718 32.500 -0.020 0.000 0.943 238 K HN 0.492 nan 8.250 nan 0.000 0.501 239 M N 3.194 122.657 119.600 -0.228 0.000 2.245 239 M HA 0.004 4.484 4.480 0.000 0.000 0.344 239 M C -0.565 175.324 176.300 -0.685 0.000 1.170 239 M CA 0.181 55.206 55.300 -0.459 0.000 1.135 239 M CB 0.412 32.661 32.600 -0.584 0.000 1.574 239 M HN 0.620 nan 8.290 nan 0.000 0.452 240 N N 2.624 120.981 118.700 -0.572 0.000 2.424 240 N HA 0.446 5.187 4.740 0.000 0.000 0.257 240 N C -1.722 173.321 175.510 -0.778 0.000 1.250 240 N CA 0.309 53.094 53.050 -0.441 0.000 0.946 240 N CB 0.540 38.904 38.487 -0.205 0.000 1.175 240 N HN 0.399 nan 8.380 nan 0.000 0.477 241 F N 0.299 120.246 119.950 -0.005 0.000 2.653 241 F HA 0.373 4.900 4.527 0.001 0.000 0.327 241 F C -1.040 174.773 175.800 0.022 0.000 1.195 241 F CA -0.621 57.384 58.000 0.008 0.000 0.993 241 F CB 0.929 39.907 39.000 -0.035 0.000 1.259 241 F HN 0.076 nan 8.300 nan 0.000 0.478 242 L N 5.702 127.044 121.223 0.198 0.000 2.305 242 L HA 0.570 4.910 4.340 0.000 0.000 0.284 242 L C -2.427 174.519 176.870 0.125 0.000 1.013 242 L CA -2.034 52.882 54.840 0.126 0.000 0.819 242 L CB 1.552 43.659 42.059 0.081 0.000 1.227 242 L HN 0.270 nan 8.230 nan 0.000 0.417 243 P HA 0.194 nan 4.420 nan 0.000 0.276 243 P C -0.825 176.508 177.300 0.056 0.000 1.230 243 P CA -0.139 63.006 63.100 0.074 0.000 0.776 243 P CB 1.738 33.469 31.700 0.051 0.000 0.888 244 V N 0.059 120.003 119.914 0.051 0.000 3.114 244 V HA 0.632 4.752 4.120 0.000 0.000 0.308 244 V C -0.856 175.245 176.094 0.012 0.000 1.168 244 V CA -1.165 61.150 62.300 0.026 0.000 1.015 244 V CB 2.524 34.360 31.823 0.021 0.000 1.050 244 V HN 0.429 nan 8.190 nan 0.000 0.433 245 K N 1.419 121.813 120.400 -0.010 0.000 2.221 245 K HA 0.688 5.009 4.320 0.000 0.000 0.258 245 K C -1.158 175.413 176.600 -0.048 0.000 0.944 245 K CA -0.717 55.558 56.287 -0.020 0.000 0.823 245 K CB 2.114 34.602 32.500 -0.019 0.000 1.113 245 K HN 0.890 nan 8.250 nan 0.000 0.431 246 V N 5.335 125.218 119.914 -0.052 0.000 2.427 246 V HA 0.056 4.176 4.120 0.000 0.000 0.268 246 V C 1.027 177.063 176.094 -0.097 0.000 1.046 246 V CA 0.463 62.709 62.300 -0.090 0.000 0.970 246 V CB 0.718 32.498 31.823 -0.072 0.000 1.001 246 V HN 1.060 nan 8.190 nan 0.000 0.476 247 T N 4.208 118.674 114.554 -0.146 0.000 2.894 247 T HA 0.477 4.827 4.350 0.000 0.000 0.258 247 T C 0.629 175.261 174.700 -0.114 0.000 1.043 247 T CA 0.578 62.604 62.100 -0.122 0.000 1.141 247 T CB 0.176 68.962 68.868 -0.138 0.000 0.873 247 T HN 1.478 nan 8.240 nan 0.000 0.449 248 A N 0.773 123.476 122.820 -0.196 0.000 2.604 248 A HA 0.680 5.001 4.320 0.000 0.000 0.295 248 A C -0.089 177.405 177.584 -0.150 0.000 1.067 248 A CA -0.495 51.481 52.037 -0.101 0.000 0.683 248 A CB 1.265 20.278 19.000 0.022 0.000 1.281 248 A HN 0.557 nan 8.150 nan 0.000 0.407 249 T N -1.377 113.212 114.554 0.058 0.000 2.762 249 T HA 1.046 5.397 4.350 0.000 0.000 0.272 249 T C -0.056 174.828 174.700 0.307 0.000 0.982 249 T CA -0.321 61.864 62.100 0.142 0.000 1.013 249 T CB 1.543 70.454 68.868 0.072 0.000 1.309 249 T HN 2.653 nan 8.240 nan 0.000 0.572 250 A N 0.026 122.990 122.820 0.241 0.000 2.583 250 A HA 0.477 4.798 4.320 0.000 0.000 0.300 250 A C -0.865 176.788 177.584 0.116 0.000 0.966 250 A CA -1.102 51.035 52.037 0.168 0.000 0.673 250 A CB -0.147 18.949 19.000 0.159 0.000 1.297 250 A HN 1.007 nan 8.150 nan 0.000 0.418 251 I N 2.157 122.764 120.570 0.062 0.000 2.821 251 I HA 0.190 4.360 4.170 0.000 0.000 0.294 251 I C 0.809 176.951 176.117 0.041 0.000 1.210 251 I CA 1.884 63.209 61.300 0.041 0.000 1.430 251 I CB 0.096 38.108 38.000 0.019 0.000 1.356 251 I HN 0.970 nan 8.210 nan 0.000 0.563 252 D N 4.670 125.096 120.400 0.044 0.000 2.739 252 D HA -0.229 4.411 4.640 0.000 0.000 0.240 252 D C -0.478 175.868 176.300 0.076 0.000 1.114 252 D CA 0.712 54.736 54.000 0.041 0.000 0.695 252 D CB -1.250 39.557 40.800 0.013 0.000 1.078 252 D HN 0.850 nan 8.370 nan 0.000 0.434 253 Q N -2.225 117.655 119.800 0.134 0.000 3.036 253 Q HA 0.360 4.701 4.340 0.000 0.000 0.201 253 Q C -1.930 174.280 176.000 0.350 0.000 1.022 253 Q CA -0.616 55.341 55.803 0.256 0.000 1.015 253 Q CB 1.012 29.922 28.738 0.287 0.000 2.190 253 Q HN 0.174 nan 8.270 nan 0.000 0.544 254 V N 1.934 122.008 119.914 0.266 0.000 2.876 254 V HA 0.492 4.613 4.120 0.000 0.000 0.312 254 V C -0.900 174.973 176.094 -0.368 0.000 1.085 254 V CA -0.562 61.738 62.300 -0.001 0.000 0.945 254 V CB 2.196 34.001 31.823 -0.030 0.000 1.017 254 V HN 0.677 nan 8.190 nan 0.000 0.428 255 Q N 2.269 121.548 119.800 -0.869 0.000 2.312 255 Q HA 0.782 5.122 4.340 0.000 0.000 0.263 255 Q C -1.321 174.365 176.000 -0.523 0.000 0.995 255 Q CA -0.505 54.622 55.803 -1.128 0.000 0.853 255 Q CB 2.131 29.764 28.738 -1.841 0.000 1.300 255 Q HN 0.765 nan 8.270 nan 0.000 0.448 256 V N 0.118 119.817 119.914 -0.359 0.000 2.962 256 V HA 0.610 4.730 4.120 0.000 0.000 0.313 256 V C -1.098 174.908 176.094 -0.146 0.000 1.099 256 V CA -0.948 61.237 62.300 -0.192 0.000 0.971 256 V CB 1.908 33.667 31.823 -0.107 0.000 1.028 256 V HN 0.907 nan 8.190 nan 0.000 0.430 257 E N 2.950 123.093 120.200 -0.095 0.000 2.113 257 E HA 0.525 4.875 4.350 0.000 0.000 0.273 257 E C -0.571 176.010 176.600 -0.032 0.000 0.924 257 E CA -0.728 55.634 56.400 -0.063 0.000 0.764 257 E CB 1.441 31.109 29.700 -0.052 0.000 1.104 257 E HN 0.785 nan 8.360 nan 0.000 0.406 258 L N 5.419 126.628 121.223 -0.023 0.000 2.483 258 L HA 0.022 4.362 4.340 0.000 0.000 0.277 258 L C -1.549 175.321 176.870 -0.000 0.000 1.248 258 L CA -1.017 53.820 54.840 -0.006 0.000 0.825 258 L CB 0.024 42.081 42.059 -0.003 0.000 1.096 258 L HN 0.563 nan 8.230 nan 0.000 0.512 259 P HA -0.030 nan 4.420 nan 0.000 0.219 259 P C 0.159 177.465 177.300 0.009 0.000 1.154 259 P CA 0.700 63.807 63.100 0.011 0.000 0.826 259 P CB 0.205 31.917 31.700 0.020 0.000 0.795 260 M N -0.585 119.020 119.600 0.009 0.000 2.095 260 M HA 0.066 4.546 4.480 0.000 0.000 0.254 260 M C -1.929 174.374 176.300 0.004 0.000 1.249 260 M CA -0.812 54.492 55.300 0.007 0.000 1.084 260 M CB -1.611 30.993 32.600 0.006 0.000 1.327 260 M HN -0.213 nan 8.290 nan 0.000 0.416 261 P HA 0.171 nan 4.420 nan 0.000 0.275 261 P C -0.421 176.879 177.300 0.001 0.000 1.270 261 P CA 0.034 63.136 63.100 0.003 0.000 0.791 261 P CB 0.264 31.966 31.700 0.003 0.000 1.089 262 N N -1.803 116.897 118.700 0.001 0.000 2.732 262 N HA -0.300 4.440 4.740 0.000 0.000 0.250 262 N C -0.789 174.720 175.510 -0.001 0.000 1.097 262 N CA 0.983 54.033 53.050 0.000 0.000 0.812 262 N CB -2.136 36.351 38.487 -0.000 0.000 1.148 262 N HN 0.401 nan 8.380 nan 0.000 0.572 263 R N -0.429 120.070 120.500 -0.002 0.000 3.744 263 R HA -0.277 4.063 4.340 0.000 0.000 0.136 263 R C 0.175 176.469 176.300 -0.009 0.000 0.321 263 R CA 1.049 57.145 56.100 -0.006 0.000 0.700 263 R CB -1.002 29.294 30.300 -0.008 0.000 1.354 263 R HN 0.724 nan 8.270 nan 0.000 0.427 264 Q N 2.686 122.481 119.800 -0.008 0.000 2.314 264 Q HA 0.026 4.366 4.340 0.000 0.000 0.258 264 Q C -0.551 175.437 176.000 -0.020 0.000 0.954 264 Q CA -0.104 55.694 55.803 -0.007 0.000 0.890 264 Q CB 0.829 29.566 28.738 -0.003 0.000 1.210 264 Q HN 0.429 nan 8.270 nan 0.000 0.410 265 Q N 1.946 121.731 119.800 -0.024 0.000 2.230 265 Q HA 0.536 4.876 4.340 0.000 0.000 0.253 265 Q C -1.040 174.926 176.000 -0.056 0.000 0.919 265 Q CA -0.701 55.063 55.803 -0.064 0.000 0.908 265 Q CB 2.060 30.754 28.738 -0.074 0.000 1.245 265 Q HN 0.448 nan 8.270 nan 0.000 0.437 266 V N 0.908 120.752 119.914 -0.118 0.000 2.962 266 V HA 0.414 4.534 4.120 0.000 0.000 0.313 266 V C -1.375 174.614 176.094 -0.176 0.000 1.099 266 V CA -1.069 61.193 62.300 -0.064 0.000 0.971 266 V CB 1.767 33.576 31.823 -0.023 0.000 1.028 266 V HN 0.733 nan 8.190 nan 0.000 0.430 267 W N 3.425 124.721 121.300 -0.007 0.000 2.329 267 W HA 0.739 5.400 4.660 0.000 0.000 0.312 267 W C -0.528 175.983 176.519 -0.015 0.000 1.054 267 W CA -0.236 57.103 57.345 -0.009 0.000 1.245 267 W CB 1.371 30.825 29.460 -0.011 0.000 1.255 267 W HN 0.332 nan 8.180 nan 0.000 0.436 268 L N 5.917 127.223 121.223 0.139 0.000 2.322 268 L HA 0.438 4.779 4.340 0.000 0.000 0.279 268 L C -1.995 174.941 176.870 0.110 0.000 1.036 268 L CA -2.219 52.672 54.840 0.085 0.000 0.807 268 L CB 1.334 43.404 42.059 0.017 0.000 1.226 268 L HN 0.107 nan 8.230 nan 0.000 0.433 269 P HA 0.071 nan 4.420 nan 0.000 0.244 269 P C -0.738 176.589 177.300 0.044 0.000 1.769 269 P CA 0.060 63.199 63.100 0.066 0.000 1.102 269 P CB 0.121 31.852 31.700 0.051 0.000 1.937 270 V N -1.119 118.823 119.914 0.046 0.000 3.160 270 V HA 0.493 4.613 4.120 0.000 0.000 0.310 270 V C 1.599 177.706 176.094 0.021 0.000 1.181 270 V CA -0.997 61.313 62.300 0.016 0.000 1.047 270 V CB 1.871 33.683 31.823 -0.017 0.000 1.068 270 V HN 0.054 nan 8.190 nan 0.000 0.441 271 E N 2.084 122.286 120.200 0.003 0.000 2.340 271 E HA -0.405 3.945 4.350 0.000 0.000 0.246 271 E C 1.550 178.161 176.600 0.018 0.000 1.077 271 E CA 4.322 60.724 56.400 0.004 0.000 1.060 271 E CB -0.640 29.058 29.700 -0.004 0.000 0.935 271 E HN 2.282 nan 8.360 nan 0.000 0.495 272 S N -2.137 113.575 115.700 0.021 0.000 2.206 272 S HA -0.416 4.054 4.470 0.000 0.000 0.241 272 S C 1.073 175.688 174.600 0.025 0.000 1.163 272 S CA 1.990 60.210 58.200 0.033 0.000 1.532 272 S CB -1.870 61.362 63.200 0.054 0.000 1.946 272 S HN 0.602 nan 8.310 nan 0.000 0.590 273 R N 1.498 122.009 120.500 0.018 0.000 2.319 273 R HA -0.144 4.196 4.340 0.000 0.000 0.143 273 R C 1.037 177.347 176.300 0.017 0.000 0.601 273 R CA 2.033 58.143 56.100 0.016 0.000 1.367 273 R CB -0.713 29.595 30.300 0.013 0.000 0.505 273 R HN 0.539 nan 8.270 nan 0.000 0.616 274 D N 0.900 121.310 120.400 0.017 0.000 2.636 274 D HA -0.017 4.624 4.640 0.000 0.000 0.256 274 D C -0.926 175.384 176.300 0.018 0.000 1.280 274 D CA 0.101 54.111 54.000 0.018 0.000 0.910 274 D CB -0.361 40.451 40.800 0.020 0.000 1.045 274 D HN 0.028 nan 8.370 nan 0.000 0.472 275 V N 1.203 121.126 119.914 0.016 0.000 2.539 275 V HA 0.282 4.403 4.120 0.000 0.000 0.292 275 V C -0.664 175.436 176.094 0.011 0.000 1.045 275 V CA -0.383 61.924 62.300 0.012 0.000 0.945 275 V CB 1.863 33.690 31.823 0.007 0.000 0.993 275 V HN 0.076 nan 8.190 nan 0.000 0.464 276 Q N 4.003 123.806 119.800 0.006 0.000 2.323 276 Q HA 0.433 4.773 4.340 0.000 0.000 0.271 276 Q C -0.858 175.140 176.000 -0.004 0.000 1.048 276 Q CA -0.613 55.192 55.803 0.005 0.000 0.792 276 Q CB 2.138 30.880 28.738 0.007 0.000 1.280 276 Q HN 0.631 nan 8.270 nan 0.000 0.441 277 V N 1.637 121.547 119.914 -0.006 0.000 2.644 277 V HA 0.157 4.277 4.120 0.000 0.000 0.305 277 V C 1.447 177.534 176.094 -0.013 0.000 1.053 277 V CA 2.107 64.398 62.300 -0.016 0.000 1.186 277 V CB 0.328 32.145 31.823 -0.010 0.000 0.895 277 V HN 1.112 nan 8.190 nan 0.000 0.490 278 G N 3.436 112.225 108.800 -0.020 0.000 2.234 278 G HA2 -0.110 3.850 3.960 0.000 0.000 0.235 278 G HA3 -0.110 3.850 3.960 0.000 0.000 0.235 278 G C 0.441 175.336 174.900 -0.007 0.000 0.997 278 G CA 0.130 45.222 45.100 -0.013 0.000 0.623 278 G HN 1.587 nan 8.290 nan 0.000 0.514 279 A N 0.559 123.376 122.820 -0.005 0.000 2.440 279 A HA 0.543 4.864 4.320 0.000 0.000 0.251 279 A C 0.399 177.987 177.584 0.006 0.000 1.089 279 A CA -0.003 52.036 52.037 0.004 0.000 0.779 279 A CB 0.157 19.162 19.000 0.008 0.000 1.022 279 A HN 0.426 nan 8.150 nan 0.000 0.492 280 N N 3.308 122.015 118.700 0.012 0.000 2.439 280 N HA 0.290 5.030 4.740 0.000 0.000 0.243 280 N C -0.328 175.202 175.510 0.034 0.000 1.088 280 N CA 0.286 53.347 53.050 0.018 0.000 0.940 280 N CB 0.888 39.385 38.487 0.016 0.000 1.180 280 N HN 0.649 nan 8.380 nan 0.000 0.505 281 M N -0.188 119.439 119.600 0.045 0.000 2.686 281 M HA 0.336 4.817 4.480 0.000 0.000 0.262 281 M C 0.341 176.711 176.300 0.117 0.000 1.139 281 M CA -0.658 54.691 55.300 0.082 0.000 0.928 281 M CB 0.953 33.599 32.600 0.078 0.000 1.482 281 M HN 0.144 nan 8.290 nan 0.000 0.545 282 S N 1.034 116.855 115.700 0.202 0.000 2.596 282 S HA 0.573 5.043 4.470 0.000 0.000 0.318 282 S C -1.306 173.547 174.600 0.422 0.000 1.097 282 S CA -0.720 57.650 58.200 0.284 0.000 1.080 282 S CB 0.769 64.123 63.200 0.257 0.000 0.991 282 S HN 0.516 nan 8.310 nan 0.000 0.471 283 L N 4.916 126.330 121.223 0.317 0.000 2.289 283 L HA 0.862 5.203 4.340 0.000 0.000 0.285 283 L C 0.249 177.319 176.870 0.334 0.000 1.049 283 L CA -0.178 54.829 54.840 0.279 0.000 0.804 283 L CB 0.862 43.008 42.059 0.145 0.000 1.195 283 L HN 0.705 nan 8.230 nan 0.000 0.428 284 G N 4.875 113.889 108.800 0.356 0.000 2.513 284 G HA2 0.616 4.576 3.960 0.000 0.000 0.317 284 G HA3 0.616 4.576 3.960 0.000 0.000 0.317 284 G C -1.740 173.200 174.900 0.067 0.000 1.277 284 G CA -0.401 44.773 45.100 0.124 0.000 0.955 284 G HN 0.575 nan 8.290 nan 0.000 0.484 285 I N 1.113 121.615 120.570 -0.113 0.000 2.560 285 I HA 0.412 4.583 4.170 0.000 0.000 0.283 285 I C 0.145 176.175 176.117 -0.145 0.000 1.115 285 I CA -0.763 60.521 61.300 -0.027 0.000 1.066 285 I CB 1.277 39.289 38.000 0.020 0.000 1.221 285 I HN 0.498 nan 8.210 nan 0.000 0.450 286 R N 7.443 127.824 120.500 -0.199 0.000 2.623 286 R HA 0.148 4.488 4.340 0.000 0.000 0.271 286 R C -1.656 174.529 176.300 -0.192 0.000 1.043 286 R CA -0.903 55.017 56.100 -0.301 0.000 1.083 286 R CB 0.111 30.107 30.300 -0.507 0.000 0.974 286 R HN 0.420 nan 8.270 nan 0.000 0.436 287 P HA -0.211 nan 4.420 nan 0.000 0.216 287 P C 0.341 177.616 177.300 -0.042 0.000 1.153 287 P CA 1.408 64.460 63.100 -0.079 0.000 0.858 287 P CB 0.275 31.901 31.700 -0.124 0.000 0.789 288 E N -1.835 118.311 120.200 -0.091 0.000 2.160 288 E HA -0.201 4.149 4.350 0.000 0.000 0.195 288 E C 1.778 178.498 176.600 0.200 0.000 0.991 288 E CA 1.212 57.616 56.400 0.006 0.000 0.810 288 E CB -0.936 28.779 29.700 0.025 0.000 0.742 288 E HN 0.575 nan 8.360 nan 0.000 0.466 289 H N -0.433 118.677 119.070 0.067 0.000 2.512 289 H HA 0.135 4.691 4.556 0.000 0.000 0.279 289 H C 0.396 175.782 175.328 0.096 0.000 0.999 289 H CA -0.675 55.419 56.048 0.077 0.000 1.283 289 H CB 0.177 29.973 29.762 0.056 0.000 1.421 289 H HN 0.046 nan 8.280 nan 0.000 0.554 290 L N 1.900 123.276 121.223 0.255 0.000 2.499 290 L HA 0.008 4.348 4.340 0.000 0.000 0.281 290 L C -0.098 176.918 176.870 0.244 0.000 1.234 290 L CA 0.271 55.237 54.840 0.209 0.000 0.839 290 L CB 0.528 42.721 42.059 0.223 0.000 1.104 290 L HN 0.138 nan 8.230 nan 0.000 0.500 291 L N 2.678 123.969 121.223 0.113 0.000 2.313 291 L HA 0.385 4.726 4.340 0.000 0.000 0.268 291 L C -1.472 175.408 176.870 0.017 0.000 1.010 291 L CA -1.621 53.282 54.840 0.105 0.000 0.814 291 L CB 1.486 43.577 42.059 0.053 0.000 1.304 291 L HN 0.409 nan 8.230 nan 0.000 0.441 292 P HA -0.188 nan 4.420 nan 0.000 0.234 292 P C 0.815 178.066 177.300 -0.082 0.000 1.162 292 P CA 1.294 64.409 63.100 0.024 0.000 0.759 292 P CB 0.409 32.157 31.700 0.080 0.000 0.813 293 S N -1.355 114.293 115.700 -0.086 0.000 2.524 293 S HA -0.181 4.289 4.470 0.000 0.000 0.254 293 S C 1.073 175.626 174.600 -0.078 0.000 1.258 293 S CA 1.462 59.599 58.200 -0.105 0.000 1.448 293 S CB -2.194 60.900 63.200 -0.178 0.000 1.806 293 S HN 0.160 nan 8.310 nan 0.000 0.630 294 D N 0.726 121.092 120.400 -0.055 0.000 2.219 294 D HA 0.123 4.763 4.640 0.000 0.000 0.205 294 D C 0.708 176.990 176.300 -0.030 0.000 0.970 294 D CA 1.100 55.076 54.000 -0.040 0.000 0.851 294 D CB -0.265 40.522 40.800 -0.022 0.000 0.943 294 D HN 0.567 nan 8.370 nan 0.000 0.488 295 I N 1.399 121.954 120.570 -0.024 0.000 2.260 295 I HA 0.173 4.344 4.170 0.000 0.000 0.297 295 I C 0.245 176.348 176.117 -0.023 0.000 1.143 295 I CA -0.841 60.447 61.300 -0.019 0.000 1.271 295 I CB 0.378 38.371 38.000 -0.011 0.000 1.461 295 I HN -0.189 nan 8.210 nan 0.000 0.530 296 A N 5.011 127.817 122.820 -0.023 0.000 2.444 296 A HA 0.507 4.828 4.320 0.000 0.000 0.287 296 A C -0.109 177.466 177.584 -0.015 0.000 1.195 296 A CA 0.203 52.227 52.037 -0.022 0.000 0.858 296 A CB -0.319 18.668 19.000 -0.022 0.000 1.117 296 A HN 0.649 nan 8.150 nan 0.000 0.521 297 D N 0.366 120.758 120.400 -0.014 0.000 3.376 297 D HA 0.190 4.831 4.640 0.000 0.000 0.344 297 D C -0.426 175.871 176.300 -0.006 0.000 1.428 297 D CA -0.472 53.524 54.000 -0.006 0.000 0.949 297 D CB 0.393 41.190 40.800 -0.005 0.000 1.451 297 D HN 0.242 nan 8.370 nan 0.000 0.578 298 V N 1.205 121.120 119.914 0.000 0.000 2.790 298 V HA 0.059 4.180 4.120 0.000 0.000 0.304 298 V C 0.223 176.310 176.094 -0.012 0.000 1.142 298 V CA 1.036 63.336 62.300 -0.002 0.000 1.282 298 V CB -0.473 31.353 31.823 0.004 0.000 0.877 298 V HN 0.249 nan 8.190 nan 0.000 0.504 299 I N 5.461 126.021 120.570 -0.017 0.000 2.649 299 I HA 0.352 4.522 4.170 0.000 0.000 0.289 299 I C -1.084 175.017 176.117 -0.027 0.000 1.222 299 I CA -0.605 60.677 61.300 -0.030 0.000 1.046 299 I CB 1.999 39.976 38.000 -0.039 0.000 1.272 299 I HN 0.351 nan 8.210 nan 0.000 0.425 300 L N 5.580 126.784 121.223 -0.031 0.000 2.322 300 L HA 0.590 4.931 4.340 0.000 0.000 0.279 300 L C -0.181 176.676 176.870 -0.023 0.000 1.036 300 L CA -0.162 54.666 54.840 -0.020 0.000 0.807 300 L CB 1.453 43.504 42.059 -0.013 0.000 1.226 300 L HN 0.538 nan 8.230 nan 0.000 0.433 301 E N 0.476 120.671 120.200 -0.008 0.000 2.314 301 E HA 0.774 5.124 4.350 0.000 0.000 0.272 301 E C -1.023 175.591 176.600 0.022 0.000 0.884 301 E CA -0.595 55.805 56.400 0.000 0.000 0.753 301 E CB 2.183 31.873 29.700 -0.016 0.000 1.213 301 E HN 0.710 nan 8.360 nan 0.000 0.432 302 G N 2.023 110.852 108.800 0.049 0.000 2.606 302 G HA2 0.222 4.183 3.960 0.000 0.000 0.300 302 G HA3 0.222 4.183 3.960 0.000 0.000 0.300 302 G C -1.525 173.421 174.900 0.077 0.000 1.360 302 G CA -0.745 44.387 45.100 0.054 0.000 0.783 302 G HN 0.526 nan 8.290 nan 0.000 0.484 303 E N -0.090 120.148 120.200 0.063 0.000 2.227 303 E HA 0.474 4.824 4.350 0.000 0.000 0.282 303 E C -0.246 176.394 176.600 0.066 0.000 1.015 303 E CA -0.584 55.855 56.400 0.065 0.000 0.823 303 E CB 1.485 31.212 29.700 0.045 0.000 1.081 303 E HN 0.222 nan 8.360 nan 0.000 0.396 304 V N 5.342 125.298 119.914 0.070 0.000 2.529 304 V HA -0.051 4.069 4.120 0.000 0.000 0.292 304 V C 0.953 177.067 176.094 0.034 0.000 1.028 304 V CA -0.002 62.320 62.300 0.038 0.000 1.074 304 V CB 1.017 32.846 31.823 0.010 0.000 0.958 304 V HN 0.796 nan 8.190 nan 0.000 0.481 305 Q N 3.455 123.281 119.800 0.044 0.000 2.287 305 Q HA 0.243 4.583 4.340 0.000 0.000 0.201 305 Q C 0.136 176.142 176.000 0.011 0.000 0.946 305 Q CA 0.850 56.673 55.803 0.034 0.000 0.868 305 Q CB 0.678 29.446 28.738 0.050 0.000 0.967 305 Q HN 0.624 nan 8.270 nan 0.000 0.516 306 V N 0.408 120.343 119.914 0.034 0.000 2.962 306 V HA 0.571 4.691 4.120 0.000 0.000 0.313 306 V C -0.649 175.467 176.094 0.036 0.000 1.099 306 V CA -0.864 61.417 62.300 -0.032 0.000 0.971 306 V CB 2.621 34.282 31.823 -0.271 0.000 1.028 306 V HN -0.157 nan 8.190 nan 0.000 0.430 307 V N 2.499 122.411 119.914 -0.003 0.000 2.509 307 V HA 0.388 4.508 4.120 0.000 0.000 0.289 307 V C -0.662 175.428 176.094 -0.007 0.000 1.026 307 V CA -0.534 61.768 62.300 0.004 0.000 0.872 307 V CB 1.680 33.489 31.823 -0.023 0.000 1.017 307 V HN 0.979 nan 8.190 nan 0.000 0.436 308 E N 4.227 124.434 120.200 0.012 0.000 2.092 308 E HA 0.387 4.737 4.350 0.000 0.000 0.271 308 E C -0.806 175.785 176.600 -0.015 0.000 0.919 308 E CA -0.741 55.655 56.400 -0.006 0.000 0.760 308 E CB 1.400 31.105 29.700 0.009 0.000 1.106 308 E HN 0.506 nan 8.360 nan 0.000 0.408 309 Q N 3.256 123.045 119.800 -0.019 0.000 2.344 309 Q HA 0.146 4.487 4.340 0.000 0.000 0.253 309 Q C 0.565 176.552 176.000 -0.021 0.000 1.050 309 Q CA 0.174 55.964 55.803 -0.021 0.000 0.912 309 Q CB 0.878 29.607 28.738 -0.016 0.000 1.258 309 Q HN 0.642 nan 8.270 nan 0.000 0.443 310 L N 0.573 121.780 121.223 -0.026 0.000 2.667 310 L HA 0.178 4.519 4.340 0.000 0.000 0.232 310 L C 1.310 178.166 176.870 -0.024 0.000 1.138 310 L CA 0.334 55.158 54.840 -0.026 0.000 0.921 310 L CB -0.117 41.923 42.059 -0.031 0.000 1.180 310 L HN 0.927 nan 8.230 nan 0.000 0.487 311 G N 1.997 110.784 108.800 -0.021 0.000 4.039 311 G HA2 -0.417 3.543 3.960 0.000 0.000 0.220 311 G HA3 -0.417 3.543 3.960 0.000 0.000 0.220 311 G C 1.008 175.897 174.900 -0.019 0.000 1.391 311 G CA 0.525 45.615 45.100 -0.017 0.000 0.920 311 G HN 0.512 nan 8.290 nan 0.000 0.599 312 N N 2.536 121.222 118.700 -0.023 0.000 2.446 312 N HA 0.096 4.836 4.740 0.000 0.000 0.179 312 N C 0.760 176.251 175.510 -0.031 0.000 1.054 312 N CA 1.715 54.750 53.050 -0.024 0.000 0.905 312 N CB 0.225 38.697 38.487 -0.025 0.000 0.973 312 N HN 0.924 nan 8.380 nan 0.000 0.448 313 E N -0.575 119.601 120.200 -0.039 0.000 2.435 313 E HA 0.431 4.781 4.350 0.000 0.000 0.272 313 E C -1.628 174.935 176.600 -0.061 0.000 1.031 313 E CA -0.825 55.541 56.400 -0.057 0.000 0.872 313 E CB 1.485 31.142 29.700 -0.073 0.000 1.588 313 E HN -0.086 nan 8.360 nan 0.000 0.460 314 T N 1.147 115.647 114.554 -0.091 0.000 2.991 314 T HA 0.297 4.648 4.350 0.000 0.000 0.303 314 T C -1.125 173.495 174.700 -0.134 0.000 1.015 314 T CA -0.828 61.220 62.100 -0.086 0.000 1.007 314 T CB 1.433 70.260 68.868 -0.068 0.000 1.034 314 T HN 0.384 nan 8.240 nan 0.000 0.446 315 Q N 2.862 122.609 119.800 -0.088 0.000 2.307 315 Q HA 0.569 4.909 4.340 0.000 0.000 0.262 315 Q C -0.683 175.299 176.000 -0.030 0.000 0.961 315 Q CA -0.995 54.749 55.803 -0.100 0.000 0.882 315 Q CB 1.906 30.622 28.738 -0.038 0.000 1.264 315 Q HN 0.474 nan 8.270 nan 0.000 0.446 316 I N 2.154 122.673 120.570 -0.085 0.000 2.474 316 I HA 0.330 4.500 4.170 0.000 0.000 0.294 316 I C 0.010 176.088 176.117 -0.066 0.000 1.005 316 I CA -0.622 60.654 61.300 -0.040 0.000 1.113 316 I CB 1.316 39.217 38.000 -0.165 0.000 1.289 316 I HN 0.541 nan 8.210 nan 0.000 0.436 317 H N 6.358 125.398 119.070 -0.050 0.000 2.476 317 H HA 0.592 5.149 4.556 0.000 0.000 0.328 317 H C -0.671 174.647 175.328 -0.018 0.000 1.073 317 H CA -0.471 55.565 56.048 -0.021 0.000 1.229 317 H CB 2.578 32.328 29.762 -0.021 0.000 1.432 317 H HN 0.406 nan 8.280 nan 0.000 0.477 318 I N 2.668 123.271 120.570 0.056 0.000 2.466 318 I HA 0.113 4.283 4.170 0.000 0.000 0.289 318 I C -0.116 176.031 176.117 0.050 0.000 1.026 318 I CA -0.606 60.724 61.300 0.050 0.000 1.078 318 I CB 2.567 40.592 38.000 0.042 0.000 1.249 318 I HN 0.411 nan 8.210 nan 0.000 0.429 319 Q N 6.925 126.756 119.800 0.051 0.000 2.303 319 Q HA 0.563 4.904 4.340 0.000 0.000 0.257 319 Q C -1.387 174.636 176.000 0.037 0.000 0.941 319 Q CA -0.473 55.356 55.803 0.043 0.000 0.931 319 Q CB 1.286 30.048 28.738 0.040 0.000 1.215 319 Q HN 0.606 nan 8.270 nan 0.000 0.437 320 I N 6.846 127.435 120.570 0.032 0.000 2.377 320 I HA 0.383 4.553 4.170 0.000 0.000 0.293 320 I C -1.997 174.134 176.117 0.023 0.000 0.987 320 I CA -2.668 58.648 61.300 0.027 0.000 1.185 320 I CB 1.728 39.741 38.000 0.023 0.000 1.341 320 I HN 0.569 nan 8.210 nan 0.000 0.455 321 P HA -0.073 nan 4.420 nan 0.000 0.264 321 P C 0.408 177.718 177.300 0.017 0.000 1.179 321 P CA 0.526 63.636 63.100 0.017 0.000 0.763 321 P CB 0.585 32.294 31.700 0.014 0.000 0.806 322 S N -0.005 115.705 115.700 0.017 0.000 3.261 322 S HA -0.208 4.262 4.470 0.000 0.000 0.287 322 S C 0.227 174.839 174.600 0.021 0.000 1.281 322 S CA 0.980 59.190 58.200 0.017 0.000 1.053 322 S CB -2.842 60.367 63.200 0.014 0.000 1.251 322 S HN 0.571 nan 8.310 nan 0.000 0.659 323 I N 0.880 121.465 120.570 0.024 0.000 2.466 323 I HA 0.412 4.582 4.170 0.000 0.000 0.279 323 I C 1.272 177.409 176.117 0.032 0.000 1.033 323 I CA -0.956 60.362 61.300 0.030 0.000 1.123 323 I CB 1.377 39.397 38.000 0.032 0.000 1.237 323 I HN 0.070 nan 8.210 nan 0.000 0.460 324 R N 3.946 124.465 120.500 0.032 0.000 2.112 324 R HA -0.136 4.204 4.340 0.000 0.000 0.242 324 R C 0.789 177.111 176.300 0.036 0.000 1.137 324 R CA 1.747 57.865 56.100 0.031 0.000 0.944 324 R CB 0.169 30.485 30.300 0.027 0.000 0.857 324 R HN 0.603 nan 8.270 nan 0.000 0.435 325 Q N 0.827 120.654 119.800 0.044 0.000 2.299 325 Q HA 0.109 4.449 4.340 0.000 0.000 0.246 325 Q C -0.603 175.428 176.000 0.051 0.000 0.935 325 Q CA -0.699 55.135 55.803 0.051 0.000 0.887 325 Q CB 1.053 29.829 28.738 0.064 0.000 1.223 325 Q HN 0.308 nan 8.270 nan 0.000 0.439 326 N N 1.069 119.804 118.700 0.060 0.000 2.297 326 N HA 0.071 4.811 4.740 0.000 0.000 0.232 326 N C -0.809 174.721 175.510 0.034 0.000 1.311 326 N CA 0.156 53.244 53.050 0.062 0.000 0.897 326 N CB 0.403 38.958 38.487 0.113 0.000 1.137 326 N HN 0.319 nan 8.380 nan 0.000 0.449 327 L N 1.321 122.552 121.223 0.013 0.000 2.305 327 L HA 0.354 4.694 4.340 0.000 0.000 0.284 327 L C -0.895 175.930 176.870 -0.074 0.000 1.013 327 L CA -0.579 54.251 54.840 -0.018 0.000 0.819 327 L CB 1.469 43.528 42.059 0.000 0.000 1.227 327 L HN 0.135 nan 8.230 nan 0.000 0.417 328 V N 5.392 125.224 119.914 -0.136 0.000 2.439 328 V HA 0.334 4.454 4.120 0.000 0.000 0.282 328 V C -0.886 175.155 176.094 -0.088 0.000 1.039 328 V CA -0.467 61.672 62.300 -0.268 0.000 0.913 328 V CB 1.239 32.831 31.823 -0.385 0.000 0.983 328 V HN 0.655 nan 8.190 nan 0.000 0.460 329 Y N 5.496 125.660 120.300 -0.228 0.000 2.425 329 Y HA 0.686 5.236 4.550 0.000 0.000 0.344 329 Y C -0.214 175.615 175.900 -0.117 0.000 0.969 329 Y CA -1.370 56.652 58.100 -0.130 0.000 1.052 329 Y CB 1.651 40.062 38.460 -0.082 0.000 1.215 329 Y HN 0.581 nan 8.280 nan 0.000 0.451 330 R N 4.838 124.885 120.500 -0.754 0.000 2.437 330 R HA 0.407 4.748 4.340 0.000 0.000 0.310 330 R C -1.302 174.511 176.300 -0.811 0.000 0.955 330 R CA -0.892 54.830 56.100 -0.629 0.000 0.851 330 R CB 2.120 32.238 30.300 -0.303 0.000 1.161 330 R HN 0.735 nan 8.270 nan 0.000 0.446 331 Q N 1.980 121.424 119.800 -0.593 0.000 2.394 331 Q HA 0.247 4.587 4.340 0.000 0.000 0.273 331 Q C -0.905 175.007 176.000 -0.146 0.000 1.089 331 Q CA -0.797 54.808 55.803 -0.331 0.000 0.812 331 Q CB 2.141 30.778 28.738 -0.169 0.000 1.353 331 Q HN 0.515 nan 8.270 nan 0.000 0.438 332 N N 2.449 121.108 118.700 -0.068 0.000 2.415 332 N HA -0.018 4.722 4.740 0.000 0.000 0.248 332 N C -0.402 175.096 175.510 -0.019 0.000 1.271 332 N CA 0.789 53.816 53.050 -0.037 0.000 0.913 332 N CB 0.528 39.007 38.487 -0.013 0.000 1.129 332 N HN 0.806 nan 8.380 nan 0.000 0.444 333 D N -1.034 119.356 120.400 -0.017 0.000 3.841 333 D HA -0.242 4.399 4.640 0.000 0.000 0.276 333 D C 1.356 177.651 176.300 -0.009 0.000 2.088 333 D CA 1.473 55.469 54.000 -0.008 0.000 1.152 333 D CB -0.228 40.575 40.800 0.006 0.000 0.944 333 D HN 0.312 nan 8.370 nan 0.000 1.144 334 V N -1.491 118.423 119.914 0.000 0.000 2.244 334 V HA 0.050 4.171 4.120 0.000 0.000 0.244 334 V C 1.333 177.432 176.094 0.009 0.000 1.042 334 V CA 1.481 63.782 62.300 0.001 0.000 1.006 334 V CB -0.749 31.078 31.823 0.006 0.000 0.641 334 V HN 0.949 nan 8.190 nan 0.000 0.446 335 V N 1.289 121.221 119.914 0.030 0.000 3.677 335 V HA -0.170 3.950 4.120 0.000 0.000 0.479 335 V C -0.495 175.626 176.094 0.045 0.000 0.682 335 V CA 0.535 62.868 62.300 0.055 0.000 1.977 335 V CB -1.829 30.030 31.823 0.060 0.000 2.402 335 V HN 0.645 nan 8.190 nan 0.000 0.501 336 L N 5.749 127.007 121.223 0.057 0.000 2.325 336 L HA 0.702 5.043 4.340 0.000 0.000 0.284 336 L C 0.091 177.001 176.870 0.067 0.000 1.089 336 L CA 0.234 55.102 54.840 0.047 0.000 0.836 336 L CB 1.151 43.236 42.059 0.043 0.000 1.184 336 L HN 0.422 nan 8.230 nan 0.000 0.444 337 V N 2.561 122.501 119.914 0.043 0.000 2.612 337 V HA 0.362 4.482 4.120 0.000 0.000 0.301 337 V C -0.100 176.009 176.094 0.026 0.000 1.059 337 V CA -0.805 61.525 62.300 0.050 0.000 0.886 337 V CB 1.874 33.694 31.823 -0.005 0.000 1.007 337 V HN 0.605 nan 8.190 nan 0.000 0.426 338 E N 2.665 122.890 120.200 0.041 0.000 2.349 338 E HA 0.365 4.715 4.350 0.000 0.000 0.262 338 E C 0.020 176.635 176.600 0.026 0.000 1.088 338 E CA -0.354 56.063 56.400 0.028 0.000 0.899 338 E CB 1.434 31.153 29.700 0.032 0.000 1.044 338 E HN 0.680 nan 8.360 nan 0.000 0.420 339 E N -0.376 119.834 120.200 0.016 0.000 2.391 339 E HA 0.238 4.588 4.350 0.000 0.000 0.255 339 E C 0.854 177.469 176.600 0.025 0.000 1.187 339 E CA 0.291 56.700 56.400 0.015 0.000 0.941 339 E CB 0.353 30.056 29.700 0.005 0.000 1.010 339 E HN 0.757 nan 8.360 nan 0.000 0.458 340 G N 0.292 109.108 108.800 0.027 0.000 2.257 340 G HA2 -0.378 3.582 3.960 0.000 0.000 0.267 340 G HA3 -0.378 3.582 3.960 0.000 0.000 0.267 340 G C 0.451 175.377 174.900 0.044 0.000 0.984 340 G CA 0.387 45.506 45.100 0.031 0.000 0.626 340 G HN 0.795 nan 8.290 nan 0.000 0.540 341 A N -0.132 122.723 122.820 0.058 0.000 2.386 341 A HA 0.660 4.980 4.320 0.000 0.000 0.248 341 A C 0.772 178.423 177.584 0.112 0.000 1.082 341 A CA 1.269 53.356 52.037 0.084 0.000 0.789 341 A CB 0.493 19.558 19.000 0.109 0.000 1.025 341 A HN 1.518 nan 8.150 nan 0.000 0.490 342 T N 0.683 115.303 114.554 0.109 0.000 2.806 342 T HA 0.567 4.917 4.350 0.000 0.000 0.290 342 T C -0.970 173.833 174.700 0.173 0.000 0.966 342 T CA -0.160 62.006 62.100 0.110 0.000 1.060 342 T CB -0.258 68.640 68.868 0.050 0.000 0.927 342 T HN 0.403 nan 8.240 nan 0.000 0.485 343 F N 3.051 122.994 119.950 -0.012 0.000 2.551 343 F HA 0.726 5.253 4.527 0.000 0.000 0.316 343 F C -0.357 175.408 175.800 -0.058 0.000 1.089 343 F CA -0.691 57.291 58.000 -0.030 0.000 0.915 343 F CB 2.093 41.079 39.000 -0.023 0.000 1.186 343 F HN 0.830 nan 8.300 nan 0.000 0.456 344 A N 6.224 128.892 122.820 -0.254 0.000 2.371 344 A HA 0.848 5.169 4.320 0.000 0.000 0.311 344 A C -1.156 176.299 177.584 -0.216 0.000 1.068 344 A CA -0.582 51.358 52.037 -0.162 0.000 0.744 344 A CB 0.975 19.878 19.000 -0.162 0.000 1.239 344 A HN 0.790 nan 8.150 nan 0.000 0.435 345 I N -0.709 119.775 120.570 -0.143 0.000 3.145 345 I HA 0.953 5.123 4.170 0.000 0.000 0.313 345 I C 0.165 176.211 176.117 -0.118 0.000 1.122 345 I CA -1.236 59.947 61.300 -0.195 0.000 0.987 345 I CB 2.239 40.036 38.000 -0.339 0.000 1.236 345 I HN 0.648 nan 8.210 nan 0.000 0.453 346 G N 2.751 111.494 108.800 -0.095 0.000 2.389 346 G HA2 0.553 4.513 3.960 0.000 0.000 0.328 346 G HA3 0.553 4.513 3.960 0.000 0.000 0.328 346 G C -1.149 173.742 174.900 -0.015 0.000 1.133 346 G CA -0.658 44.415 45.100 -0.044 0.000 0.891 346 G HN 0.585 nan 8.290 nan 0.000 0.485 347 L N 3.360 124.579 121.223 -0.006 0.000 2.295 347 L HA 0.450 4.790 4.340 0.000 0.000 0.281 347 L C -2.436 174.439 176.870 0.009 0.000 1.018 347 L CA -1.840 53.007 54.840 0.011 0.000 0.841 347 L CB 2.118 44.182 42.059 0.009 0.000 1.218 347 L HN 0.227 nan 8.230 nan 0.000 0.424 348 P HA 0.339 nan 4.420 nan 0.000 0.282 348 P C -2.270 175.016 177.300 -0.023 0.000 1.262 348 P CA -1.378 61.713 63.100 -0.015 0.000 0.773 348 P CB 0.880 32.563 31.700 -0.030 0.000 0.879 349 P HA -0.130 nan 4.420 nan 0.000 0.217 349 P C 0.796 178.052 177.300 -0.073 0.000 1.151 349 P CA 1.242 64.327 63.100 -0.026 0.000 0.828 349 P CB 0.062 31.764 31.700 0.003 0.000 0.788 350 E N -0.794 119.313 120.200 -0.155 0.000 2.333 350 E HA -0.137 4.214 4.350 0.000 0.000 0.198 350 E C 1.667 178.120 176.600 -0.246 0.000 1.007 350 E CA 0.879 57.092 56.400 -0.311 0.000 0.845 350 E CB -0.486 28.828 29.700 -0.644 0.000 0.766 350 E HN 0.085 nan 8.360 nan 0.000 0.507 351 R N -0.564 119.851 120.500 -0.141 0.000 2.509 351 R HA 0.273 4.613 4.340 0.000 0.000 0.300 351 R C -0.752 175.567 176.300 0.032 0.000 0.985 351 R CA -0.096 55.969 56.100 -0.058 0.000 1.092 351 R CB 0.124 30.375 30.300 -0.082 0.000 1.237 351 R HN 0.096 nan 8.270 nan 0.000 0.546 352 C N 0.205 119.500 119.300 -0.009 0.000 2.422 352 C HA 0.472 4.932 4.460 0.000 0.000 0.364 352 C C 0.122 175.079 174.990 -0.056 0.000 1.251 352 C CA -0.533 58.520 59.018 0.059 0.000 2.441 352 C CB 0.617 28.385 27.740 0.047 0.000 2.393 352 C HN 0.496 nan 8.230 nan 0.000 0.606 353 H N -0.260 118.816 119.070 0.011 0.000 2.754 353 H HA 0.858 5.414 4.556 0.000 0.000 0.352 353 H C -0.913 174.328 175.328 -0.144 0.000 1.213 353 H CA -0.653 55.337 56.048 -0.098 0.000 1.244 353 H CB 1.142 30.869 29.762 -0.058 0.000 1.843 353 H HN 0.452 nan 8.280 nan 0.000 0.587 354 L N 1.334 122.360 121.223 -0.329 0.000 2.543 354 L HA 0.450 4.790 4.340 0.000 0.000 0.265 354 L C -2.054 174.541 176.870 -0.460 0.000 0.945 354 L CA -0.351 54.370 54.840 -0.199 0.000 0.869 354 L CB 0.904 42.919 42.059 -0.074 0.000 1.294 354 L HN 0.467 nan 8.230 nan 0.000 0.405 355 F N 3.247 123.269 119.950 0.121 0.000 2.520 355 F HA 0.673 5.201 4.527 0.000 0.000 0.322 355 F C 0.615 176.447 175.800 0.054 0.000 1.103 355 F CA -0.748 57.306 58.000 0.090 0.000 0.926 355 F CB 1.542 40.594 39.000 0.086 0.000 1.154 355 F HN 0.326 nan 8.300 nan 0.000 0.453 356 R N 1.277 121.890 120.500 0.189 0.000 2.822 356 R HA 0.126 4.466 4.340 0.000 0.000 0.277 356 R C 0.916 177.282 176.300 0.109 0.000 1.102 356 R CA -0.451 55.718 56.100 0.114 0.000 1.207 356 R CB 0.454 30.801 30.300 0.079 0.000 1.139 356 R HN 0.739 nan 8.270 nan 0.000 0.557 357 E N 0.562 120.802 120.200 0.066 0.000 2.265 357 E HA -0.204 4.146 4.350 0.000 0.000 0.196 357 E C 1.044 177.668 176.600 0.040 0.000 0.996 357 E CA 0.887 57.313 56.400 0.044 0.000 0.832 357 E CB -0.029 29.688 29.700 0.028 0.000 0.756 357 E HN 0.498 nan 8.360 nan 0.000 0.491 358 D N -0.541 119.890 120.400 0.052 0.000 2.265 358 D HA -0.136 4.504 4.640 0.000 0.000 0.208 358 D C 1.485 177.820 176.300 0.059 0.000 0.977 358 D CA 1.527 55.556 54.000 0.048 0.000 0.871 358 D CB -0.079 40.755 40.800 0.056 0.000 0.925 358 D HN 0.319 nan 8.370 nan 0.000 0.485 359 G N -1.067 107.785 108.800 0.087 0.000 2.258 359 G HA2 -0.277 3.683 3.960 0.000 0.000 0.233 359 G HA3 -0.277 3.683 3.960 0.000 0.000 0.233 359 G C 0.586 175.613 174.900 0.212 0.000 1.006 359 G CA 0.664 45.818 45.100 0.090 0.000 0.620 359 G HN 0.609 nan 8.290 nan 0.000 0.511 360 T N 0.135 114.804 114.554 0.192 0.000 2.926 360 T HA 0.641 4.991 4.350 0.000 0.000 0.307 360 T C 0.627 175.475 174.700 0.248 0.000 1.059 360 T CA 0.550 62.775 62.100 0.208 0.000 1.122 360 T CB 1.907 70.846 68.868 0.119 0.000 0.972 360 T HN 1.729 nan 8.240 nan 0.000 0.545 361 A N 1.124 124.065 122.820 0.201 0.000 2.302 361 A HA 0.512 4.832 4.320 0.000 0.000 0.285 361 A C 0.341 177.893 177.584 -0.054 0.000 1.105 361 A CA -0.927 51.092 52.037 -0.031 0.000 0.816 361 A CB 0.237 19.239 19.000 0.004 0.000 1.067 361 A HN 1.028 nan 8.150 nan 0.000 0.489 362 C N 2.483 121.697 119.300 -0.143 0.000 2.125 362 C HA 0.442 4.902 4.460 0.000 0.000 0.355 362 C C 0.866 175.820 174.990 -0.059 0.000 1.047 362 C CA -0.578 58.398 59.018 -0.071 0.000 1.501 362 C CB -1.658 26.040 27.740 -0.070 0.000 1.783 362 C HN 0.995 nan 8.230 nan 0.000 0.455 363 R N 2.927 123.415 120.500 -0.020 0.000 3.097 363 R HA -0.147 4.193 4.340 0.000 0.000 0.253 363 R C 0.271 176.572 176.300 0.002 0.000 0.766 363 R CA 1.041 57.141 56.100 0.001 0.000 1.062 363 R CB 0.030 30.321 30.300 -0.016 0.000 0.935 363 R HN 0.660 nan 8.270 nan 0.000 0.388 364 R N 4.278 124.807 120.500 0.049 0.000 2.643 364 R HA 0.062 4.403 4.340 0.000 0.000 0.270 364 R C 0.707 177.044 176.300 0.062 0.000 1.061 364 R CA -0.065 56.069 56.100 0.057 0.000 1.107 364 R CB 0.417 30.777 30.300 0.100 0.000 0.999 364 R HN 0.657 nan 8.270 nan 0.000 0.460 365 L N 0.700 121.959 121.223 0.060 0.000 2.575 365 L HA 0.123 4.463 4.340 0.000 0.000 0.228 365 L C 0.660 177.569 176.870 0.065 0.000 1.075 365 L CA -0.169 54.691 54.840 0.035 0.000 0.867 365 L CB -0.030 42.046 42.059 0.028 0.000 1.097 365 L HN 0.615 nan 8.230 nan 0.000 0.485 366 H N 2.542 121.619 119.070 0.013 0.000 2.955 366 H HA 0.149 4.706 4.556 0.000 0.000 0.290 366 H C -0.192 175.161 175.328 0.041 0.000 1.047 366 H CA -0.139 55.911 56.048 0.004 0.000 1.484 366 H CB 0.353 30.103 29.762 -0.020 0.000 1.501 366 H HN -0.054 nan 8.280 nan 0.000 0.521 367 K N 4.838 125.044 120.400 -0.323 0.000 2.339 367 K HA 0.081 4.402 4.320 0.000 0.000 0.286 367 K C -0.082 176.234 176.600 -0.475 0.000 1.050 367 K CA -0.471 55.664 56.287 -0.255 0.000 0.956 367 K CB 0.665 33.070 32.500 -0.157 0.000 0.990 367 K HN 0.659 nan 8.250 nan 0.000 0.475 368 E N 4.456 124.495 120.200 -0.269 0.000 2.259 368 E HA 0.139 4.489 4.350 0.000 0.000 0.281 368 E C -2.084 174.384 176.600 -0.220 0.000 1.027 368 E CA -1.924 54.234 56.400 -0.403 0.000 0.838 368 E CB 0.793 29.986 29.700 -0.845 0.000 1.066 368 E HN 0.433 nan 8.360 nan 0.000 0.401 369 P HA 0.143 nan 4.420 nan 0.000 0.267 369 P C 0.328 177.633 177.300 0.007 0.000 1.209 369 P CA 0.271 63.340 63.100 -0.052 0.000 0.763 369 P CB 0.588 32.273 31.700 -0.024 0.000 0.816 370 G N 0.000 108.819 108.800 0.031 0.000 5.446 370 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 370 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 370 G CA 0.000 45.144 45.100 0.073 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925