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 2xh0_1_C DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGANT GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALKEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK IKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD RLTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKLLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.610 177.584 0.044 0.000 1.274 1 A CA 0.000 52.044 52.037 0.013 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 2 V N 3.245 123.194 119.914 0.059 0.000 2.432 2 V HA 0.423 4.542 4.120 -0.000 0.000 0.271 2 V C 1.450 177.599 176.094 0.092 0.000 1.046 2 V CA 0.803 63.171 62.300 0.113 0.000 0.945 2 V CB 1.073 33.029 31.823 0.223 0.000 0.992 2 V HN 0.761 nan 8.190 nan 0.000 0.471 3 S N 3.189 118.939 115.700 0.083 0.000 2.505 3 S HA 0.279 4.749 4.470 -0.000 0.000 0.216 3 S C 0.415 175.054 174.600 0.067 0.000 1.018 3 S CA -0.171 58.066 58.200 0.061 0.000 0.911 3 S CB 0.334 63.560 63.200 0.043 0.000 0.818 3 S HN 0.639 nan 8.310 nan 0.000 0.497 4 K N 0.542 120.989 120.400 0.079 0.000 2.523 4 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 4 K C -2.219 174.427 176.600 0.077 0.000 0.932 4 K CA -0.596 55.736 56.287 0.075 0.000 0.812 4 K CB 2.498 35.028 32.500 0.050 0.000 1.326 4 K HN 0.061 nan 8.250 nan 0.000 0.433 5 V N 4.005 123.964 119.914 0.075 0.000 2.588 5 V HA 0.497 4.617 4.120 -0.000 0.000 0.304 5 V C -1.474 174.689 176.094 0.116 0.000 1.042 5 V CA -0.788 61.527 62.300 0.025 0.000 0.877 5 V CB 1.482 33.243 31.823 -0.103 0.000 0.996 5 V HN 0.771 nan 8.190 nan 0.000 0.425 6 Y N 3.158 123.432 120.300 -0.043 0.000 2.504 6 Y HA 0.808 5.358 4.550 -0.000 0.000 0.344 6 Y C -0.420 175.458 175.900 -0.037 0.000 1.023 6 Y CA -0.558 57.526 58.100 -0.028 0.000 1.020 6 Y CB 2.063 40.514 38.460 -0.015 0.000 1.282 6 Y HN 0.799 nan 8.280 nan 0.000 0.454 7 A N 5.998 128.375 122.820 -0.738 0.000 2.401 7 A HA 0.943 5.263 4.320 -0.000 0.000 0.310 7 A C -1.322 175.860 177.584 -0.670 0.000 1.075 7 A CA -0.937 50.790 52.037 -0.517 0.000 0.746 7 A CB 1.519 20.331 19.000 -0.314 0.000 1.277 7 A HN 0.873 nan 8.150 nan 0.000 0.425 8 R N 0.242 120.547 120.500 -0.326 0.000 2.836 8 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 8 R C -1.073 175.132 176.300 -0.158 0.000 1.010 8 R CA -0.609 55.372 56.100 -0.199 0.000 0.930 8 R CB 1.354 31.637 30.300 -0.028 0.000 1.218 8 R HN 0.424 nan 8.270 nan 0.000 0.473 9 S N 0.782 116.395 115.700 -0.146 0.000 2.523 9 S HA 0.386 4.855 4.470 -0.000 0.000 0.275 9 S C 0.194 174.689 174.600 -0.176 0.000 1.281 9 S CA -0.603 57.457 58.200 -0.233 0.000 1.050 9 S CB 1.054 64.058 63.200 -0.326 0.000 0.937 9 S HN 0.465 nan 8.310 nan 0.000 0.492 10 V N 1.420 121.198 119.914 -0.227 0.000 3.156 10 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 10 V C -1.635 174.287 176.094 -0.287 0.000 1.208 10 V CA -1.162 61.071 62.300 -0.111 0.000 1.063 10 V CB 0.918 32.737 31.823 -0.006 0.000 1.098 10 V HN 0.715 nan 8.190 nan 0.000 0.452 11 Y N 1.293 121.563 120.300 -0.049 0.000 2.342 11 Y HA 0.580 5.129 4.550 -0.000 0.000 0.334 11 Y C 0.371 176.246 175.900 -0.041 0.000 1.067 11 Y CA -0.317 57.752 58.100 -0.051 0.000 1.128 11 Y CB 1.322 39.779 38.460 -0.004 0.000 1.200 11 Y HN 0.977 nan 8.280 nan 0.000 0.464 12 D N -0.466 119.962 120.400 0.046 0.000 2.433 12 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 12 D C 1.002 177.340 176.300 0.064 0.000 1.226 12 D CA -0.348 53.669 54.000 0.027 0.000 1.015 12 D CB 0.752 41.533 40.800 -0.031 0.000 1.091 12 D HN 0.426 nan 8.370 nan 0.000 0.527 13 S N -1.016 114.706 115.700 0.038 0.000 2.547 13 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 13 S C 1.423 176.044 174.600 0.035 0.000 0.980 13 S CA 0.268 58.492 58.200 0.040 0.000 0.941 13 S CB -0.335 62.883 63.200 0.030 0.000 0.763 13 S HN 0.512 nan 8.310 nan 0.000 0.532 14 R N 0.198 120.717 120.500 0.031 0.000 2.397 14 R HA 0.272 4.612 4.340 -0.000 0.000 0.241 14 R C 1.190 177.527 176.300 0.062 0.000 0.914 14 R CA 0.434 56.550 56.100 0.026 0.000 1.071 14 R CB 0.272 30.569 30.300 -0.004 0.000 1.116 14 R HN 0.558 nan 8.270 nan 0.000 0.524 15 G N 1.488 110.356 108.800 0.113 0.000 2.132 15 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.234 15 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.234 15 G C -0.484 174.583 174.900 0.279 0.000 0.989 15 G CA -0.320 44.910 45.100 0.216 0.000 0.676 15 G HN 0.236 nan 8.290 nan 0.000 0.522 16 N N 1.020 119.788 118.700 0.113 0.000 2.443 16 N HA 0.533 5.273 4.740 -0.000 0.000 0.295 16 N C -2.769 172.570 175.510 -0.285 0.000 1.076 16 N CA -1.433 51.592 53.050 -0.042 0.000 0.919 16 N CB 1.853 40.303 38.487 -0.061 0.000 1.176 16 N HN 0.025 nan 8.380 nan 0.000 0.487 17 P HA 0.136 nan 4.420 nan 0.000 0.269 17 P C -0.064 176.927 177.300 -0.514 0.000 1.215 17 P CA 0.100 62.677 63.100 -0.871 0.000 0.780 17 P CB 0.762 31.660 31.700 -1.337 0.000 0.898 18 T N 0.437 114.733 114.554 -0.429 0.000 2.754 18 T HA 0.438 4.787 4.350 -0.000 0.000 0.296 18 T C -1.342 173.205 174.700 -0.254 0.000 1.205 18 T CA -0.624 61.305 62.100 -0.285 0.000 1.009 18 T CB 0.769 69.525 68.868 -0.186 0.000 1.368 18 T HN -0.027 nan 8.240 nan 0.000 0.509 19 V N 2.529 122.329 119.914 -0.190 0.000 2.407 19 V HA 0.534 4.654 4.120 -0.000 0.000 0.278 19 V C 0.122 176.138 176.094 -0.130 0.000 1.037 19 V CA -0.497 61.702 62.300 -0.168 0.000 0.900 19 V CB 1.091 32.824 31.823 -0.150 0.000 0.983 19 V HN 0.839 nan 8.190 nan 0.000 0.459 20 E N 3.962 124.090 120.200 -0.119 0.000 2.183 20 E HA 0.672 5.021 4.350 -0.000 0.000 0.271 20 E C -1.694 174.853 176.600 -0.087 0.000 0.919 20 E CA -0.516 55.836 56.400 -0.079 0.000 0.781 20 E CB 2.116 31.789 29.700 -0.044 0.000 1.140 20 E HN 0.456 nan 8.360 nan 0.000 0.402 21 V N 3.935 123.810 119.914 -0.065 0.000 2.604 21 V HA 0.343 4.462 4.120 -0.000 0.000 0.305 21 V C -0.732 175.361 176.094 -0.003 0.000 1.043 21 V CA -0.699 61.564 62.300 -0.062 0.000 0.888 21 V CB 1.912 33.677 31.823 -0.097 0.000 0.995 21 V HN 0.760 nan 8.190 nan 0.000 0.429 22 E N 3.604 123.828 120.200 0.041 0.000 2.176 22 E HA 0.572 4.921 4.350 -0.000 0.000 0.267 22 E C -1.589 175.053 176.600 0.070 0.000 0.893 22 E CA -0.782 55.662 56.400 0.075 0.000 0.761 22 E CB 2.320 32.084 29.700 0.106 0.000 1.133 22 E HN 0.330 nan 8.360 nan 0.000 0.409 23 L N 2.328 123.606 121.223 0.091 0.000 2.307 23 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 23 L C -0.214 176.763 176.870 0.178 0.000 1.023 23 L CA -0.171 54.731 54.840 0.103 0.000 0.810 23 L CB 1.960 44.068 42.059 0.083 0.000 1.231 23 L HN 0.449 nan 8.230 nan 0.000 0.423 24 T N 1.911 116.543 114.554 0.130 0.000 2.771 24 T HA 0.654 5.004 4.350 -0.000 0.000 0.281 24 T C 0.220 175.012 174.700 0.154 0.000 0.982 24 T CA -0.552 61.619 62.100 0.118 0.000 0.978 24 T CB 1.127 70.025 68.868 0.049 0.000 0.930 24 T HN 0.754 nan 8.240 nan 0.000 0.447 25 T N -0.795 113.886 114.554 0.212 0.000 2.724 25 T HA 0.391 4.741 4.350 -0.000 0.000 0.274 25 T C 1.320 176.100 174.700 0.134 0.000 0.984 25 T CA -0.815 61.389 62.100 0.173 0.000 1.024 25 T CB 1.321 70.308 68.868 0.199 0.000 1.320 25 T HN 0.467 nan 8.240 nan 0.000 0.555 26 E N 0.376 120.636 120.200 0.100 0.000 2.331 26 E HA -0.136 4.213 4.350 -0.000 0.000 0.199 26 E C 0.983 177.637 176.600 0.090 0.000 1.008 26 E CA 0.950 57.392 56.400 0.071 0.000 0.843 26 E CB -0.134 29.594 29.700 0.046 0.000 0.761 26 E HN 0.501 nan 8.360 nan 0.000 0.507 27 K N 0.487 120.991 120.400 0.172 0.000 2.367 27 K HA 0.252 4.572 4.320 -0.000 0.000 0.194 27 K C 0.991 177.685 176.600 0.156 0.000 1.027 27 K CA 0.700 57.115 56.287 0.214 0.000 1.075 27 K CB 1.330 34.019 32.500 0.315 0.000 0.845 27 K HN 0.315 nan 8.250 nan 0.000 0.529 28 G N 0.088 108.924 108.800 0.059 0.000 2.250 28 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.252 28 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.252 28 G C -1.596 173.054 174.900 -0.417 0.000 1.325 28 G CA -0.699 44.258 45.100 -0.238 0.000 1.091 28 G HN -0.134 nan 8.290 nan 0.000 0.476 29 V N 0.709 120.241 119.914 -0.637 0.000 2.448 29 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 29 V C -0.892 174.804 176.094 -0.663 0.000 1.025 29 V CA -0.407 61.632 62.300 -0.434 0.000 0.859 29 V CB 1.112 32.813 31.823 -0.202 0.000 0.988 29 V HN 0.588 nan 8.190 nan 0.000 0.431 30 F N 3.751 123.710 119.950 0.015 0.000 2.493 30 F HA 0.682 5.209 4.527 -0.000 0.000 0.329 30 F C 0.198 176.007 175.800 0.016 0.000 1.126 30 F CA -0.593 57.418 58.000 0.019 0.000 0.937 30 F CB 1.728 40.740 39.000 0.021 0.000 1.146 30 F HN 0.318 nan 8.300 nan 0.000 0.442 31 R N 1.778 122.377 120.500 0.164 0.000 2.599 31 R HA 0.800 5.140 4.340 -0.000 0.000 0.295 31 R C -1.360 174.990 176.300 0.084 0.000 0.963 31 R CA -0.346 55.808 56.100 0.090 0.000 0.883 31 R CB 1.772 32.105 30.300 0.054 0.000 1.171 31 R HN 0.756 nan 8.270 nan 0.000 0.450 32 S N 3.988 119.708 115.700 0.033 0.000 2.549 32 S HA 0.584 5.054 4.470 -0.000 0.000 0.280 32 S C -0.807 173.777 174.600 -0.027 0.000 1.109 32 S CA -0.676 57.524 58.200 -0.002 0.000 0.905 32 S CB 1.554 64.713 63.200 -0.068 0.000 1.081 32 S HN 0.503 nan 8.310 nan 0.000 0.477 33 I N 1.470 122.025 120.570 -0.024 0.000 2.569 33 I HA 0.517 4.687 4.170 -0.000 0.000 0.296 33 I C -0.852 175.234 176.117 -0.053 0.000 1.028 33 I CA -1.171 60.108 61.300 -0.037 0.000 1.082 33 I CB 1.897 39.889 38.000 -0.013 0.000 1.264 33 I HN 0.226 nan 8.210 nan 0.000 0.429 34 V N 6.639 126.510 119.914 -0.072 0.000 2.407 34 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 34 V C -1.836 174.221 176.094 -0.062 0.000 1.037 34 V CA -1.319 60.936 62.300 -0.076 0.000 0.900 34 V CB 1.242 33.010 31.823 -0.092 0.000 0.983 34 V HN 0.618 nan 8.190 nan 0.000 0.459 35 P HA 0.323 nan 4.420 nan 0.000 0.282 35 P C -0.733 176.534 177.300 -0.054 0.000 1.287 35 P CA -0.493 62.586 63.100 -0.037 0.000 0.792 35 P CB 1.366 33.061 31.700 -0.009 0.000 1.163 36 S N -1.324 114.342 115.700 -0.057 0.000 2.614 36 S HA 0.603 5.073 4.470 -0.000 0.000 0.275 36 S C -0.191 174.371 174.600 -0.063 0.000 1.161 36 S CA -0.621 57.541 58.200 -0.064 0.000 0.969 36 S CB 0.287 63.440 63.200 -0.077 0.000 1.059 36 S HN 0.652 nan 8.310 nan 0.000 0.482 37 G N 2.174 110.941 108.800 -0.054 0.000 2.547 37 G HA2 0.708 4.667 3.960 -0.000 0.000 0.291 37 G HA3 0.708 4.667 3.960 -0.000 0.000 0.291 37 G C -0.261 174.617 174.900 -0.038 0.000 1.211 37 G CA -0.266 44.803 45.100 -0.051 0.000 0.950 37 G HN 1.118 nan 8.290 nan 0.000 0.504 38 A N 0.021 122.828 122.820 -0.022 0.000 2.337 38 A HA 0.616 4.936 4.320 -0.000 0.000 0.329 38 A C 0.344 177.944 177.584 0.028 0.000 1.146 38 A CA -0.685 51.357 52.037 0.008 0.000 0.800 38 A CB 0.532 19.546 19.000 0.023 0.000 1.220 38 A HN 0.883 nan 8.150 nan 0.000 0.472 39 N N 1.190 119.914 118.700 0.040 0.000 2.688 39 N HA -0.140 4.600 4.740 -0.000 0.000 0.258 39 N C 0.261 175.767 175.510 -0.006 0.000 1.016 39 N CA 1.437 54.503 53.050 0.026 0.000 0.747 39 N CB -1.509 37.005 38.487 0.045 0.000 0.895 39 N HN 1.079 nan 8.380 nan 0.000 0.543 40 T N -2.579 111.966 114.554 -0.016 0.000 2.903 40 T HA 0.370 4.720 4.350 -0.000 0.000 0.314 40 T C 1.289 175.963 174.700 -0.043 0.000 1.078 40 T CA -0.158 61.925 62.100 -0.028 0.000 1.114 40 T CB 1.250 70.100 68.868 -0.029 0.000 0.987 40 T HN 0.375 nan 8.240 nan 0.000 0.548 41 G N 0.393 109.166 108.800 -0.044 0.000 2.484 41 G HA2 0.234 4.193 3.960 -0.000 0.000 0.235 41 G HA3 0.234 4.193 3.960 -0.000 0.000 0.235 41 G C 1.054 175.892 174.900 -0.103 0.000 1.282 41 G CA -0.264 44.797 45.100 -0.064 0.000 0.857 41 G HN 0.893 nan 8.290 nan 0.000 0.571 42 V N 2.008 121.799 119.914 -0.206 0.000 2.626 42 V HA -0.113 4.007 4.120 -0.000 0.000 0.252 42 V C 1.834 177.743 176.094 -0.308 0.000 1.067 42 V CA 1.665 63.788 62.300 -0.294 0.000 1.081 42 V CB -0.565 31.010 31.823 -0.413 0.000 0.686 42 V HN 0.777 nan 8.190 nan 0.000 0.468 43 H N 0.050 119.106 119.070 -0.023 0.000 2.539 43 H HA 0.296 4.852 4.556 -0.000 0.000 0.269 43 H C 0.730 176.045 175.328 -0.021 0.000 0.980 43 H CA -0.144 55.893 56.048 -0.018 0.000 1.152 43 H CB 0.047 29.799 29.762 -0.016 0.000 1.407 43 H HN 0.600 nan 8.280 nan 0.000 0.564 44 E N 1.077 121.303 120.200 0.043 0.000 2.392 44 E HA 0.322 4.671 4.350 -0.000 0.000 0.264 44 E C 0.286 176.893 176.600 0.011 0.000 1.024 44 E CA -0.407 56.005 56.400 0.020 0.000 0.903 44 E CB 1.211 30.907 29.700 -0.005 0.000 0.963 44 E HN 0.233 nan 8.360 nan 0.000 0.432 45 A N 2.801 125.624 122.820 0.005 0.000 2.555 45 A HA -0.020 4.300 4.320 -0.000 0.000 0.233 45 A C -0.053 177.524 177.584 -0.013 0.000 1.060 45 A CA -0.278 51.757 52.037 -0.004 0.000 0.759 45 A CB 0.108 19.102 19.000 -0.010 0.000 0.995 45 A HN 0.526 nan 8.150 nan 0.000 0.506 46 L N 1.415 122.630 121.223 -0.014 0.000 2.477 46 L HA 0.134 4.473 4.340 -0.000 0.000 0.272 46 L C 0.714 177.568 176.870 -0.027 0.000 1.157 46 L CA 0.532 55.361 54.840 -0.018 0.000 0.889 46 L CB 0.220 42.271 42.059 -0.014 0.000 1.158 46 L HN 0.757 nan 8.230 nan 0.000 0.473 47 E N 6.251 126.432 120.200 -0.032 0.000 2.105 47 E HA 0.123 4.473 4.350 -0.000 0.000 0.285 47 E C -0.509 176.067 176.600 -0.041 0.000 1.055 47 E CA -0.460 55.914 56.400 -0.043 0.000 0.843 47 E CB 0.707 30.377 29.700 -0.050 0.000 1.067 47 E HN 0.710 nan 8.360 nan 0.000 0.398 48 M N 5.756 125.331 119.600 -0.041 0.000 2.143 48 M HA 0.189 4.668 4.480 -0.000 0.000 0.348 48 M C -0.705 175.561 176.300 -0.056 0.000 1.375 48 M CA -0.139 55.144 55.300 -0.028 0.000 1.124 48 M CB 0.198 32.794 32.600 -0.007 0.000 1.669 48 M HN 0.353 nan 8.290 nan 0.000 0.469 49 R N 3.114 123.583 120.500 -0.052 0.000 2.787 49 R HA 0.296 4.635 4.340 -0.000 0.000 0.271 49 R C -0.041 176.195 176.300 -0.107 0.000 0.993 49 R CA -0.707 55.337 56.100 -0.093 0.000 0.993 49 R CB 1.046 31.303 30.300 -0.073 0.000 1.155 49 R HN 0.663 nan 8.270 nan 0.000 0.486 50 D N 0.370 120.648 120.400 -0.203 0.000 2.162 50 D HA 0.018 4.658 4.640 -0.000 0.000 0.203 50 D C 1.002 177.242 176.300 -0.100 0.000 0.967 50 D CA 1.438 55.222 54.000 -0.359 0.000 0.840 50 D CB 0.060 40.599 40.800 -0.436 0.000 0.972 50 D HN 0.897 nan 8.370 nan 0.000 0.482 51 G N 1.489 110.268 108.800 -0.036 0.000 2.179 51 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.257 51 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.257 51 G C -0.126 174.791 174.900 0.030 0.000 1.010 51 G CA 0.355 45.463 45.100 0.013 0.000 0.736 51 G HN 0.335 nan 8.290 nan 0.000 0.513 52 D N -0.125 120.294 120.400 0.030 0.000 2.365 52 D HA 0.449 5.088 4.640 -0.000 0.000 0.237 52 D C 1.415 177.742 176.300 0.044 0.000 1.190 52 D CA -0.574 53.451 54.000 0.042 0.000 0.867 52 D CB 0.723 41.552 40.800 0.049 0.000 1.050 52 D HN 0.057 nan 8.370 nan 0.000 0.491 53 K N 0.864 121.283 120.400 0.032 0.000 2.442 53 K HA -0.054 4.265 4.320 -0.000 0.000 0.198 53 K C 1.668 178.276 176.600 0.013 0.000 1.042 53 K CA 0.523 56.827 56.287 0.028 0.000 0.958 53 K CB 0.055 32.569 32.500 0.023 0.000 0.766 53 K HN 0.349 nan 8.250 nan 0.000 0.474 54 S N -0.680 115.019 115.700 -0.001 0.000 2.575 54 S HA 0.150 4.619 4.470 -0.000 0.000 0.215 54 S C 0.175 174.726 174.600 -0.083 0.000 0.966 54 S CA -0.267 57.913 58.200 -0.033 0.000 0.911 54 S CB 0.090 63.272 63.200 -0.031 0.000 0.780 54 S HN -0.016 nan 8.310 nan 0.000 0.514 55 K N 0.735 121.095 120.400 -0.067 0.000 2.565 55 K HA 0.225 4.545 4.320 -0.000 0.000 0.249 55 K C -0.952 175.672 176.600 0.040 0.000 0.958 55 K CA -0.720 55.445 56.287 -0.203 0.000 0.806 55 K CB 0.978 33.334 32.500 -0.240 0.000 1.194 55 K HN 0.180 nan 8.250 nan 0.000 0.434 56 W N 1.750 123.054 121.300 0.008 0.000 4.973 56 W HA -0.356 4.303 4.660 -0.000 0.000 0.350 56 W C 0.731 177.249 176.519 -0.002 0.000 1.280 56 W CA 1.320 58.672 57.345 0.011 0.000 0.854 56 W CB -2.610 26.841 29.460 -0.015 0.000 2.367 56 W HN 0.937 nan 8.180 nan 0.000 1.511 57 M N -1.569 118.116 119.600 0.143 0.000 2.253 57 M HA 0.053 4.533 4.480 -0.000 0.000 0.199 57 M C 1.577 177.933 176.300 0.094 0.000 0.342 57 M CA 3.308 58.663 55.300 0.092 0.000 0.417 57 M CB -2.311 30.336 32.600 0.078 0.000 1.338 57 M HN 1.871 nan 8.290 nan 0.000 0.920 58 G N -1.348 107.519 108.800 0.112 0.000 2.176 58 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 58 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 58 G C 0.506 175.442 174.900 0.060 0.000 0.979 58 G CA 0.652 45.798 45.100 0.076 0.000 0.641 58 G HN 1.374 nan 8.290 nan 0.000 0.530 59 K N 0.787 121.245 120.400 0.097 0.000 2.437 59 K HA 0.349 4.669 4.320 -0.000 0.000 0.205 59 K C 1.506 178.025 176.600 -0.134 0.000 1.026 59 K CA 0.168 56.450 56.287 -0.008 0.000 1.153 59 K CB 0.659 33.155 32.500 -0.007 0.000 0.863 59 K HN 0.390 nan 8.250 nan 0.000 0.502 60 G N 0.810 109.583 108.800 -0.045 0.000 2.544 60 G HA2 0.162 4.121 3.960 -0.000 0.000 0.242 60 G HA3 0.162 4.121 3.960 -0.000 0.000 0.242 60 G C 0.573 175.268 174.900 -0.341 0.000 1.247 60 G CA -0.392 44.537 45.100 -0.286 0.000 0.840 60 G HN 0.117 nan 8.290 nan 0.000 0.578 61 V N 0.473 120.121 119.914 -0.445 0.000 2.988 61 V HA 0.305 4.424 4.120 -0.000 0.000 0.356 61 V C 1.600 177.556 176.094 -0.230 0.000 1.380 61 V CA -0.170 61.945 62.300 -0.308 0.000 1.184 61 V CB -0.512 31.128 31.823 -0.306 0.000 1.204 61 V HN 0.631 nan 8.190 nan 0.000 0.530 62 L N -0.341 120.761 121.223 -0.201 0.000 2.083 62 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 62 L C 2.675 179.575 176.870 0.050 0.000 1.083 62 L CA 2.318 57.122 54.840 -0.059 0.000 0.752 62 L CB -0.822 41.261 42.059 0.040 0.000 0.899 62 L HN 0.522 nan 8.230 nan 0.000 0.433 63 H N -0.451 118.595 119.070 -0.040 0.000 2.357 63 H HA -0.093 4.462 4.556 -0.000 0.000 0.301 63 H C 2.399 177.694 175.328 -0.055 0.000 1.082 63 H CA 0.695 56.722 56.048 -0.035 0.000 1.342 63 H CB 0.081 29.828 29.762 -0.025 0.000 1.389 63 H HN 0.389 nan 8.280 nan 0.000 0.511 64 A N 0.862 123.708 122.820 0.043 0.000 1.902 64 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 64 A C 2.626 180.177 177.584 -0.055 0.000 1.181 64 A CA 1.516 53.539 52.037 -0.024 0.000 0.623 64 A CB -0.850 18.108 19.000 -0.069 0.000 0.818 64 A HN 0.199 nan 8.150 nan 0.000 0.443 65 V N 0.221 120.086 119.914 -0.081 0.000 2.287 65 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 65 V C 2.561 178.602 176.094 -0.089 0.000 1.053 65 V CA 2.529 64.758 62.300 -0.118 0.000 1.027 65 V CB -0.691 31.045 31.823 -0.144 0.000 0.646 65 V HN 0.717 nan 8.190 nan 0.000 0.447 66 K N 0.403 120.785 120.400 -0.031 0.000 2.063 66 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 66 K C 1.989 178.579 176.600 -0.016 0.000 1.048 66 K CA 1.820 58.101 56.287 -0.010 0.000 0.928 66 K CB -0.246 32.270 32.500 0.028 0.000 0.713 66 K HN 0.425 nan 8.250 nan 0.000 0.442 67 N N 0.249 118.940 118.700 -0.014 0.000 2.094 67 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 67 N C 1.700 177.198 175.510 -0.020 0.000 1.023 67 N CA 1.559 54.600 53.050 -0.015 0.000 0.857 67 N CB -0.381 38.097 38.487 -0.015 0.000 1.013 67 N HN 0.048 nan 8.380 nan 0.000 0.426 68 V N 1.629 121.515 119.914 -0.047 0.000 2.307 68 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 68 V C 1.860 177.931 176.094 -0.039 0.000 1.045 68 V CA 1.418 63.684 62.300 -0.057 0.000 1.024 68 V CB -0.459 31.299 31.823 -0.109 0.000 0.651 68 V HN 0.298 nan 8.190 nan 0.000 0.449 69 N N 0.240 118.906 118.700 -0.056 0.000 2.216 69 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 69 N C 1.358 176.885 175.510 0.028 0.000 1.017 69 N CA 1.421 54.459 53.050 -0.020 0.000 0.861 69 N CB -0.206 38.251 38.487 -0.050 0.000 0.986 69 N HN 0.475 nan 8.380 nan 0.000 0.428 70 D N -0.960 119.452 120.400 0.019 0.000 2.392 70 D HA 0.120 4.760 4.640 -0.000 0.000 0.206 70 D C 1.596 177.918 176.300 0.037 0.000 1.046 70 D CA 0.246 54.264 54.000 0.030 0.000 0.865 70 D CB 0.805 41.616 40.800 0.019 0.000 0.969 70 D HN 0.024 nan 8.370 nan 0.000 0.509 71 V N -0.208 119.729 119.914 0.039 0.000 3.029 71 V HA 0.145 4.264 4.120 -0.000 0.000 0.230 71 V C 2.168 178.319 176.094 0.095 0.000 1.254 71 V CA -0.021 62.309 62.300 0.050 0.000 1.276 71 V CB 0.291 32.128 31.823 0.023 0.000 1.080 71 V HN -0.011 nan 8.190 nan 0.000 0.495 72 I N 1.153 121.778 120.570 0.092 0.000 2.193 72 I HA -0.132 4.038 4.170 -0.000 0.000 0.240 72 I C 2.780 179.027 176.117 0.217 0.000 1.084 72 I CA 1.572 62.974 61.300 0.168 0.000 1.365 72 I CB -0.514 37.542 38.000 0.093 0.000 1.064 72 I HN 0.312 nan 8.210 nan 0.000 0.410 73 A N 1.914 124.804 122.820 0.117 0.000 1.849 73 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 73 A C 0.109 177.788 177.584 0.160 0.000 1.202 73 A CA 2.221 54.327 52.037 0.116 0.000 0.629 73 A CB -2.225 16.821 19.000 0.076 0.000 0.834 73 A HN 0.288 nan 8.150 nan 0.000 0.447 74 P HA -0.128 nan 4.420 nan 0.000 0.216 74 P C 1.606 178.989 177.300 0.139 0.000 1.150 74 P CA 2.062 65.232 63.100 0.116 0.000 0.837 74 P CB -0.245 31.509 31.700 0.089 0.000 0.786 75 A N -0.683 122.260 122.820 0.204 0.000 1.877 75 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 75 A C 2.190 179.913 177.584 0.232 0.000 1.186 75 A CA 1.293 53.505 52.037 0.291 0.000 0.620 75 A CB -1.816 17.435 19.000 0.419 0.000 0.822 75 A HN 0.112 nan 8.150 nan 0.000 0.443 76 F N 0.680 120.664 119.950 0.057 0.000 2.102 76 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 76 F C 2.312 177.941 175.800 -0.286 0.000 1.105 76 F CA 1.998 59.784 58.000 -0.356 0.000 1.239 76 F CB -0.213 38.733 39.000 -0.089 0.000 0.991 76 F HN 0.039 nan 8.300 nan 0.000 0.474 77 V N 0.452 120.457 119.914 0.152 0.000 2.287 77 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 77 V C 2.257 178.317 176.094 -0.056 0.000 1.053 77 V CA 2.336 64.676 62.300 0.065 0.000 1.027 77 V CB -0.733 31.150 31.823 0.100 0.000 0.646 77 V HN 0.271 nan 8.190 nan 0.000 0.447 78 K N 0.394 120.767 120.400 -0.044 0.000 2.209 78 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 78 K C 2.132 178.660 176.600 -0.119 0.000 1.048 78 K CA 1.268 57.524 56.287 -0.051 0.000 0.940 78 K CB -0.378 32.122 32.500 0.001 0.000 0.729 78 K HN 0.485 nan 8.250 nan 0.000 0.451 79 A N 1.561 124.230 122.820 -0.253 0.000 2.172 79 A HA -0.165 4.154 4.320 -0.000 0.000 0.216 79 A C 0.648 178.037 177.584 -0.324 0.000 1.154 79 A CA 0.632 52.459 52.037 -0.351 0.000 0.701 79 A CB -0.636 17.905 19.000 -0.765 0.000 0.789 79 A HN 0.628 nan 8.150 nan 0.000 0.465 80 N N -0.767 117.762 118.700 -0.285 0.000 2.714 80 N HA -0.157 4.582 4.740 -0.000 0.000 0.253 80 N C -0.818 174.547 175.510 -0.241 0.000 1.024 80 N CA 0.149 53.077 53.050 -0.203 0.000 0.726 80 N CB -0.917 37.497 38.487 -0.121 0.000 0.908 80 N HN 0.515 nan 8.380 nan 0.000 0.542 81 I N 0.741 121.084 120.570 -0.378 0.000 2.519 81 I HA 0.022 4.192 4.170 -0.000 0.000 0.287 81 I C 0.725 176.729 176.117 -0.189 0.000 1.047 81 I CA -0.357 60.723 61.300 -0.367 0.000 1.381 81 I CB 0.719 38.308 38.000 -0.685 0.000 1.417 81 I HN 0.181 nan 8.210 nan 0.000 0.540 82 D N 5.352 125.679 120.400 -0.122 0.000 2.336 82 D HA 0.085 4.725 4.640 -0.000 0.000 0.249 82 D C 0.959 177.239 176.300 -0.033 0.000 1.213 82 D CA -0.428 53.534 54.000 -0.063 0.000 0.870 82 D CB 1.398 42.171 40.800 -0.045 0.000 1.076 82 D HN 0.348 nan 8.370 nan 0.000 0.483 83 V N 2.489 122.395 119.914 -0.015 0.000 2.759 83 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 83 V C 1.861 177.972 176.094 0.029 0.000 1.080 83 V CA 0.988 63.304 62.300 0.026 0.000 1.101 83 V CB -0.682 31.148 31.823 0.012 0.000 0.698 83 V HN 0.400 nan 8.190 nan 0.000 0.477 84 K N 0.550 120.949 120.400 -0.002 0.000 2.209 84 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 84 K C 0.857 177.529 176.600 0.120 0.000 1.048 84 K CA 1.250 57.561 56.287 0.040 0.000 0.940 84 K CB -0.183 32.317 32.500 -0.001 0.000 0.729 84 K HN 0.466 nan 8.250 nan 0.000 0.451 85 D N 1.016 121.455 120.400 0.065 0.000 2.500 85 D HA -0.001 4.638 4.640 -0.000 0.000 0.219 85 D C 0.779 177.119 176.300 0.068 0.000 1.137 85 D CA 0.044 54.077 54.000 0.056 0.000 0.946 85 D CB 1.141 41.954 40.800 0.021 0.000 1.022 85 D HN -0.057 nan 8.370 nan 0.000 0.518 86 Q N 3.128 122.982 119.800 0.089 0.000 2.124 86 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 86 Q C 1.466 177.509 176.000 0.072 0.000 0.977 86 Q CA 1.599 57.457 55.803 0.092 0.000 0.850 86 Q CB 0.223 29.009 28.738 0.080 0.000 0.901 86 Q HN 0.346 nan 8.270 nan 0.000 0.429 87 K N -0.528 119.902 120.400 0.050 0.000 2.097 87 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 87 K C 2.036 178.666 176.600 0.050 0.000 1.049 87 K CA 1.159 57.470 56.287 0.041 0.000 0.933 87 K CB -0.259 32.256 32.500 0.025 0.000 0.717 87 K HN 0.272 nan 8.250 nan 0.000 0.442 88 A N 1.231 124.079 122.820 0.045 0.000 1.898 88 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 88 A C 2.430 180.058 177.584 0.073 0.000 1.181 88 A CA 1.176 53.238 52.037 0.041 0.000 0.620 88 A CB -0.641 18.362 19.000 0.005 0.000 0.819 88 A HN 0.052 nan 8.150 nan 0.000 0.442 89 V N 0.863 120.829 119.914 0.087 0.000 2.255 89 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 89 V C 2.187 178.431 176.094 0.250 0.000 1.051 89 V CA 2.471 64.877 62.300 0.176 0.000 1.018 89 V CB -0.750 31.201 31.823 0.214 0.000 0.641 89 V HN 0.530 nan 8.190 nan 0.000 0.445 90 D N -0.474 120.023 120.400 0.162 0.000 2.149 90 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 90 D C 1.904 178.268 176.300 0.106 0.000 0.972 90 D CA 1.129 55.207 54.000 0.129 0.000 0.835 90 D CB -0.325 40.521 40.800 0.076 0.000 0.966 90 D HN 0.415 nan 8.370 nan 0.000 0.476 91 D N -0.012 120.445 120.400 0.095 0.000 2.144 91 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 91 D C 1.789 178.130 176.300 0.069 0.000 0.984 91 D CA 0.322 54.358 54.000 0.061 0.000 0.834 91 D CB -0.382 40.448 40.800 0.050 0.000 0.955 91 D HN 0.201 nan 8.370 nan 0.000 0.465 92 F N 1.139 121.094 119.950 0.009 0.000 2.134 92 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 92 F C 2.049 177.880 175.800 0.052 0.000 1.097 92 F CA 1.122 59.125 58.000 0.006 0.000 1.264 92 F CB -0.227 38.744 39.000 -0.048 0.000 1.001 92 F HN -0.120 nan 8.300 nan 0.000 0.479 93 L N -0.052 121.246 121.223 0.125 0.000 2.027 93 L HA -0.197 4.143 4.340 -0.000 0.000 0.206 93 L C 2.458 179.277 176.870 -0.084 0.000 1.074 93 L CA 1.430 56.303 54.840 0.056 0.000 0.745 93 L CB -0.653 41.521 42.059 0.192 0.000 0.898 93 L HN 0.154 nan 8.230 nan 0.000 0.433 94 I N -0.353 120.190 120.570 -0.045 0.000 2.286 94 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 94 I C 2.624 178.680 176.117 -0.102 0.000 1.115 94 I CA 1.576 62.840 61.300 -0.059 0.000 1.392 94 I CB -0.285 37.698 38.000 -0.029 0.000 1.065 94 I HN 0.320 nan 8.210 nan 0.000 0.418 95 S N 0.428 116.043 115.700 -0.143 0.000 2.522 95 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 95 S C 1.832 176.292 174.600 -0.233 0.000 0.986 95 S CA 0.229 58.335 58.200 -0.158 0.000 0.929 95 S CB -0.310 62.812 63.200 -0.128 0.000 0.769 95 S HN 0.354 nan 8.310 nan 0.000 0.529 96 L N 2.405 123.414 121.223 -0.357 0.000 2.095 96 L HA 0.055 4.394 4.340 -0.000 0.000 0.204 96 L C 2.230 178.998 176.870 -0.170 0.000 1.080 96 L CA 2.111 56.750 54.840 -0.335 0.000 0.759 96 L CB -0.711 41.068 42.059 -0.468 0.000 0.914 96 L HN 0.362 nan 8.230 nan 0.000 0.439 97 D N -0.562 119.758 120.400 -0.133 0.000 2.117 97 D HA -0.149 4.490 4.640 -0.000 0.000 0.198 97 D C 1.634 177.893 176.300 -0.068 0.000 0.982 97 D CA 1.421 55.373 54.000 -0.080 0.000 0.828 97 D CB 0.090 40.854 40.800 -0.060 0.000 0.967 97 D HN 0.499 nan 8.370 nan 0.000 0.464 98 G N 0.515 109.271 108.800 -0.074 0.000 2.168 98 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 98 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 98 G C 0.538 175.412 174.900 -0.043 0.000 0.977 98 G CA 1.251 46.315 45.100 -0.060 0.000 0.659 98 G HN 0.755 nan 8.290 nan 0.000 0.533 99 T N -3.573 110.958 114.554 -0.038 0.000 2.912 99 T HA 0.832 5.181 4.350 -0.000 0.000 0.288 99 T C 1.391 176.076 174.700 -0.025 0.000 1.030 99 T CA 0.307 62.390 62.100 -0.028 0.000 1.020 99 T CB 1.971 70.825 68.868 -0.023 0.000 1.056 99 T HN 1.301 nan 8.240 nan 0.000 0.480 100 A N 1.856 124.665 122.820 -0.019 0.000 1.898 100 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 100 A C 1.847 179.424 177.584 -0.012 0.000 1.181 100 A CA 0.965 52.992 52.037 -0.016 0.000 0.620 100 A CB -0.650 18.343 19.000 -0.012 0.000 0.819 100 A HN 0.820 nan 8.150 nan 0.000 0.442 101 N N -0.350 118.346 118.700 -0.008 0.000 2.279 101 N HA 0.116 4.856 4.740 -0.000 0.000 0.226 101 N C -0.666 174.837 175.510 -0.010 0.000 1.126 101 N CA 0.137 53.185 53.050 -0.003 0.000 0.846 101 N CB 0.308 38.799 38.487 0.007 0.000 1.050 101 N HN 0.434 nan 8.380 nan 0.000 0.502 102 K N -0.408 119.982 120.400 -0.017 0.000 3.071 102 K HA -0.159 4.161 4.320 -0.000 0.000 0.265 102 K C 0.729 177.317 176.600 -0.020 0.000 1.060 102 K CA 0.761 57.035 56.287 -0.022 0.000 0.767 102 K CB -1.903 30.584 32.500 -0.023 0.000 1.241 102 K HN 0.300 nan 8.250 nan 0.000 0.486 103 S N -0.742 114.949 115.700 -0.017 0.000 2.562 103 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 103 S C 1.614 176.206 174.600 -0.014 0.000 0.975 103 S CA 0.719 58.911 58.200 -0.013 0.000 0.918 103 S CB 0.316 63.511 63.200 -0.009 0.000 0.772 103 S HN 0.370 nan 8.310 nan 0.000 0.531 104 K N 2.069 122.457 120.400 -0.020 0.000 2.044 104 K HA 0.303 4.623 4.320 -0.000 0.000 0.204 104 K C 1.759 178.346 176.600 -0.022 0.000 1.045 104 K CA 1.120 57.394 56.287 -0.023 0.000 0.951 104 K CB -0.607 31.876 32.500 -0.029 0.000 0.738 104 K HN 0.415 nan 8.250 nan 0.000 0.443 105 L N -0.749 120.459 121.223 -0.025 0.000 2.298 105 L HA 0.309 4.649 4.340 -0.000 0.000 0.209 105 L C 0.453 177.311 176.870 -0.021 0.000 1.084 105 L CA 0.169 54.995 54.840 -0.023 0.000 0.816 105 L CB -0.213 41.830 42.059 -0.027 0.000 0.967 105 L HN 0.471 nan 8.230 nan 0.000 0.460 106 G N -0.711 108.075 108.800 -0.023 0.000 2.911 106 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.686 106 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.686 106 G C 0.417 175.297 174.900 -0.034 0.000 1.136 106 G CA -0.362 44.723 45.100 -0.026 0.000 0.764 106 G HN 0.135 nan 8.290 nan 0.000 0.626 107 A N 1.602 124.401 122.820 -0.035 0.000 2.019 107 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 107 A C 2.170 179.722 177.584 -0.052 0.000 1.164 107 A CA 2.156 54.170 52.037 -0.039 0.000 0.644 107 A CB -0.351 18.628 19.000 -0.034 0.000 0.805 107 A HN 1.687 nan 8.150 nan 0.000 0.449 108 N N 0.100 118.764 118.700 -0.059 0.000 2.461 108 N HA 0.188 4.927 4.740 -0.000 0.000 0.188 108 N C 1.110 176.570 175.510 -0.082 0.000 1.134 108 N CA 1.119 54.123 53.050 -0.076 0.000 0.878 108 N CB -0.233 38.202 38.487 -0.087 0.000 0.972 108 N HN 0.345 nan 8.380 nan 0.000 0.456 109 A N 0.595 123.375 122.820 -0.068 0.000 1.973 109 A HA 0.314 4.634 4.320 -0.000 0.000 0.210 109 A C 2.176 179.720 177.584 -0.066 0.000 1.200 109 A CA 0.049 52.044 52.037 -0.069 0.000 0.707 109 A CB -0.165 18.804 19.000 -0.051 0.000 0.862 109 A HN 0.191 nan 8.150 nan 0.000 0.461 110 I N -0.658 119.881 120.570 -0.053 0.000 2.333 110 I HA -0.118 4.052 4.170 -0.000 0.000 0.246 110 I C 2.320 178.403 176.117 -0.058 0.000 1.106 110 I CA 0.690 61.966 61.300 -0.039 0.000 1.411 110 I CB -0.061 37.925 38.000 -0.023 0.000 1.082 110 I HN 0.353 nan 8.210 nan 0.000 0.420 111 L N 1.167 122.346 121.223 -0.072 0.000 2.046 111 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 111 L C 2.321 179.113 176.870 -0.129 0.000 1.077 111 L CA 2.100 56.883 54.840 -0.096 0.000 0.747 111 L CB -1.203 40.798 42.059 -0.097 0.000 0.896 111 L HN 0.183 nan 8.230 nan 0.000 0.432 112 G N -0.973 107.753 108.800 -0.122 0.000 2.440 112 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 112 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 112 G C 1.507 176.326 174.900 -0.135 0.000 1.154 112 G CA 1.215 46.238 45.100 -0.129 0.000 0.767 112 G HN 0.346 nan 8.290 nan 0.000 0.552 113 V N 0.643 120.470 119.914 -0.145 0.000 2.295 113 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 113 V C 2.975 178.984 176.094 -0.141 0.000 1.049 113 V CA 2.167 64.345 62.300 -0.203 0.000 1.024 113 V CB -0.655 31.000 31.823 -0.280 0.000 0.648 113 V HN 0.469 nan 8.190 nan 0.000 0.447 114 S N -0.169 115.481 115.700 -0.084 0.000 2.359 114 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 114 S C 1.917 176.466 174.600 -0.085 0.000 1.039 114 S CA 2.058 60.233 58.200 -0.040 0.000 1.042 114 S CB -0.359 62.815 63.200 -0.043 0.000 0.915 114 S HN 0.500 nan 8.310 nan 0.000 0.439 115 L N 0.817 121.920 121.223 -0.200 0.000 2.056 115 L HA -0.005 4.334 4.340 -0.000 0.000 0.207 115 L C 2.934 179.732 176.870 -0.120 0.000 1.078 115 L CA 1.150 55.787 54.840 -0.339 0.000 0.749 115 L CB -0.764 40.915 42.059 -0.633 0.000 0.901 115 L HN 0.395 nan 8.230 nan 0.000 0.433 116 A N 0.247 123.020 122.820 -0.078 0.000 1.972 116 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 116 A C 2.532 180.123 177.584 0.011 0.000 1.169 116 A CA 1.620 53.663 52.037 0.011 0.000 0.635 116 A CB -0.558 18.447 19.000 0.008 0.000 0.810 116 A HN 0.399 nan 8.150 nan 0.000 0.446 117 A N 0.372 123.189 122.820 -0.004 0.000 1.930 117 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 117 A C 2.510 180.106 177.584 0.020 0.000 1.175 117 A CA 2.189 54.242 52.037 0.026 0.000 0.627 117 A CB -0.930 18.138 19.000 0.113 0.000 0.815 117 A HN 0.999 nan 8.150 nan 0.000 0.443 118 S N -0.052 115.702 115.700 0.089 0.000 2.382 118 S HA -0.184 4.285 4.470 -0.000 0.000 0.228 118 S C 2.029 176.698 174.600 0.116 0.000 1.027 118 S CA 1.169 59.491 58.200 0.204 0.000 0.991 118 S CB -0.484 62.909 63.200 0.321 0.000 0.823 118 S HN 0.611 nan 8.310 nan 0.000 0.469 119 R N 1.421 121.952 120.500 0.052 0.000 2.066 119 R HA 0.082 4.422 4.340 -0.000 0.000 0.232 119 R C 2.832 178.821 176.300 -0.519 0.000 1.131 119 R CA 1.281 57.354 56.100 -0.045 0.000 0.955 119 R CB -0.915 29.470 30.300 0.141 0.000 0.851 119 R HN 0.583 nan 8.270 nan 0.000 0.432 120 A N 1.372 123.725 122.820 -0.780 0.000 1.940 120 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 120 A C 2.368 179.547 177.584 -0.676 0.000 1.176 120 A CA 1.788 53.061 52.037 -1.273 0.000 0.631 120 A CB -0.540 18.087 19.000 -0.622 0.000 0.814 120 A HN 0.408 nan 8.150 nan 0.000 0.446 121 A N -0.292 122.268 122.820 -0.434 0.000 1.930 121 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 121 A C 2.484 179.714 177.584 -0.591 0.000 1.175 121 A CA 1.829 53.593 52.037 -0.456 0.000 0.627 121 A CB -0.935 17.802 19.000 -0.438 0.000 0.815 121 A HN 1.026 nan 8.150 nan 0.000 0.443 122 A N 0.040 122.537 122.820 -0.538 0.000 1.902 122 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 122 A C 2.494 179.937 177.584 -0.235 0.000 1.181 122 A CA 2.104 53.935 52.037 -0.343 0.000 0.623 122 A CB -0.997 17.919 19.000 -0.140 0.000 0.818 122 A HN 1.030 nan 8.150 nan 0.000 0.443 123 A N -0.454 122.213 122.820 -0.256 0.000 1.902 123 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 123 A C 2.034 179.555 177.584 -0.104 0.000 1.181 123 A CA 1.825 53.790 52.037 -0.119 0.000 0.623 123 A CB -0.577 18.396 19.000 -0.046 0.000 0.818 123 A HN 0.665 nan 8.150 nan 0.000 0.443 124 E N -0.074 120.023 120.200 -0.172 0.000 2.118 124 E HA -0.207 4.142 4.350 -0.000 0.000 0.195 124 E C 1.658 178.199 176.600 -0.098 0.000 0.992 124 E CA 1.434 57.765 56.400 -0.115 0.000 0.804 124 E CB -0.077 29.541 29.700 -0.138 0.000 0.741 124 E HN 0.626 nan 8.360 nan 0.000 0.458 125 K N 0.231 120.548 120.400 -0.138 0.000 2.459 125 K HA -0.031 4.289 4.320 -0.000 0.000 0.193 125 K C 0.482 177.042 176.600 -0.066 0.000 1.030 125 K CA 0.420 56.647 56.287 -0.100 0.000 1.026 125 K CB 0.043 32.466 32.500 -0.129 0.000 0.809 125 K HN 0.057 nan 8.250 nan 0.000 0.504 126 N N 0.652 119.313 118.700 -0.065 0.000 2.714 126 N HA -0.154 4.586 4.740 -0.000 0.000 0.253 126 N C -1.198 174.282 175.510 -0.051 0.000 1.024 126 N CA 0.817 53.842 53.050 -0.042 0.000 0.726 126 N CB -1.167 37.307 38.487 -0.022 0.000 0.908 126 N HN 0.123 nan 8.380 nan 0.000 0.542 127 V N -2.886 116.981 119.914 -0.078 0.000 2.962 127 V HA 0.888 5.007 4.120 -0.000 0.000 0.313 127 V C -2.322 173.672 176.094 -0.166 0.000 1.099 127 V CA -2.073 60.163 62.300 -0.106 0.000 0.971 127 V CB 2.046 33.822 31.823 -0.077 0.000 1.028 127 V HN -0.029 nan 8.190 nan 0.000 0.430 128 P HA 0.182 nan 4.420 nan 0.000 0.269 128 P C 0.714 177.773 177.300 -0.401 0.000 1.215 128 P CA -0.255 62.580 63.100 -0.441 0.000 0.780 128 P CB 0.645 31.744 31.700 -1.003 0.000 0.898 129 L N 3.437 124.526 121.223 -0.222 0.000 2.043 129 L HA -0.231 4.108 4.340 -0.000 0.000 0.212 129 L C 2.252 179.070 176.870 -0.088 0.000 1.075 129 L CA 1.962 56.754 54.840 -0.079 0.000 0.752 129 L CB -1.727 40.325 42.059 -0.012 0.000 0.891 129 L HN 0.501 nan 8.230 nan 0.000 0.432 130 Y N -0.660 119.607 120.300 -0.056 0.000 2.207 130 Y HA -0.244 4.306 4.550 -0.000 0.000 0.287 130 Y C 2.544 178.476 175.900 0.052 0.000 1.156 130 Y CA 1.765 59.828 58.100 -0.060 0.000 1.182 130 Y CB -1.260 37.115 38.460 -0.143 0.000 0.979 130 Y HN 0.223 nan 8.280 nan 0.000 0.521 131 K N -0.249 120.025 120.400 -0.210 0.000 2.026 131 K HA -0.290 4.030 4.320 -0.000 0.000 0.208 131 K C 2.226 178.885 176.600 0.097 0.000 1.048 131 K CA 1.741 58.072 56.287 0.074 0.000 0.929 131 K CB -0.526 31.941 32.500 -0.055 0.000 0.713 131 K HN 0.511 nan 8.250 nan 0.000 0.439 132 H N 0.622 119.659 119.070 -0.054 0.000 2.352 132 H HA -0.064 4.491 4.556 -0.001 0.000 0.299 132 H C 1.720 177.063 175.328 0.024 0.000 1.097 132 H CA 2.004 58.040 56.048 -0.019 0.000 1.311 132 H CB -0.175 29.562 29.762 -0.041 0.000 1.377 132 H HN 0.194 nan 8.280 nan 0.000 0.504 133 L N -0.573 120.596 121.223 -0.090 0.000 2.141 133 L HA -0.064 4.275 4.340 -0.000 0.000 0.209 133 L C 2.819 179.664 176.870 -0.042 0.000 1.094 133 L CA 0.827 55.599 54.840 -0.113 0.000 0.763 133 L CB -0.704 41.324 42.059 -0.052 0.000 0.908 133 L HN 0.397 nan 8.230 nan 0.000 0.437 134 A N 0.264 123.112 122.820 0.047 0.000 1.877 134 A HA -0.238 4.081 4.320 -0.000 0.000 0.216 134 A C 1.905 179.491 177.584 0.002 0.000 1.186 134 A CA 2.010 54.084 52.037 0.060 0.000 0.620 134 A CB -0.530 18.553 19.000 0.138 0.000 0.822 134 A HN 0.333 nan 8.150 nan 0.000 0.443 135 D N 0.271 120.666 120.400 -0.009 0.000 2.106 135 D HA -0.158 4.481 4.640 -0.000 0.000 0.191 135 D C 1.894 178.157 176.300 -0.063 0.000 0.997 135 D CA 1.231 55.219 54.000 -0.020 0.000 0.834 135 D CB -0.501 40.317 40.800 0.031 0.000 0.956 135 D HN 0.447 nan 8.370 nan 0.000 0.448 136 L N 0.636 121.762 121.223 -0.162 0.000 2.187 136 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 136 L C 1.986 178.826 176.870 -0.049 0.000 1.100 136 L CA 1.412 56.171 54.840 -0.136 0.000 0.765 136 L CB -0.394 41.533 42.059 -0.219 0.000 0.904 136 L HN 0.094 nan 8.230 nan 0.000 0.437 137 S N -2.671 113.013 115.700 -0.026 0.000 2.578 137 S HA 0.092 4.562 4.470 -0.000 0.000 0.231 137 S C 0.566 175.178 174.600 0.019 0.000 0.994 137 S CA -0.540 57.669 58.200 0.015 0.000 0.956 137 S CB 0.332 63.561 63.200 0.048 0.000 0.870 137 S HN 0.199 nan 8.310 nan 0.000 0.494 138 K N 1.225 121.624 120.400 -0.001 0.000 3.077 138 K HA -0.118 4.202 4.320 -0.000 0.000 0.264 138 K C -0.547 176.044 176.600 -0.016 0.000 1.008 138 K CA 0.658 56.941 56.287 -0.008 0.000 0.740 138 K CB -3.063 29.434 32.500 -0.005 0.000 1.273 138 K HN 0.560 nan 8.250 nan 0.000 0.477 139 S N 0.734 116.424 115.700 -0.017 0.000 2.610 139 S HA 0.320 4.790 4.470 -0.000 0.000 0.273 139 S C 0.637 175.183 174.600 -0.090 0.000 1.274 139 S CA -0.972 57.202 58.200 -0.044 0.000 1.023 139 S CB 1.439 64.629 63.200 -0.016 0.000 0.962 139 S HN 0.343 nan 8.310 nan 0.000 0.523 140 K N -0.161 120.164 120.400 -0.124 0.000 2.258 140 K HA 0.321 4.641 4.320 -0.000 0.000 0.264 140 K C 0.320 176.746 176.600 -0.290 0.000 1.007 140 K CA -0.382 55.807 56.287 -0.164 0.000 0.941 140 K CB 0.113 32.531 32.500 -0.137 0.000 0.966 140 K HN 0.642 nan 8.250 nan 0.000 0.480 141 T N -2.970 111.358 114.554 -0.377 0.000 3.170 141 T HA 0.107 4.457 4.350 -0.000 0.000 0.288 141 T C -0.253 174.106 174.700 -0.570 0.000 0.992 141 T CA -0.385 61.226 62.100 -0.815 0.000 0.909 141 T CB -0.236 68.194 68.868 -0.730 0.000 1.133 141 T HN 0.574 nan 8.240 nan 0.000 0.530 142 S N 1.636 117.171 115.700 -0.274 0.000 2.383 142 S HA 0.624 5.093 4.470 -0.000 0.000 0.196 142 S C -2.993 171.562 174.600 -0.076 0.000 1.364 142 S CA -0.944 57.184 58.200 -0.120 0.000 1.212 142 S CB 1.342 64.499 63.200 -0.072 0.000 1.171 142 S HN 0.259 nan 8.310 nan 0.000 0.456 143 P HA 0.488 nan 4.420 nan 0.000 0.283 143 P C -0.800 176.471 177.300 -0.048 0.000 1.278 143 P CA -0.694 62.402 63.100 -0.008 0.000 0.834 143 P CB 0.649 32.377 31.700 0.047 0.000 1.150 144 Y N -1.062 119.234 120.300 -0.006 0.000 2.330 144 Y HA 0.277 4.827 4.550 -0.000 0.000 0.341 144 Y C 0.782 176.666 175.900 -0.027 0.000 1.278 144 Y CA -0.035 58.050 58.100 -0.024 0.000 1.453 144 Y CB 0.629 39.054 38.460 -0.058 0.000 1.342 144 Y HN -0.058 nan 8.280 nan 0.000 0.590 145 V N 4.032 124.032 119.914 0.144 0.000 2.409 145 V HA 0.215 4.335 4.120 -0.000 0.000 0.291 145 V C -0.455 175.678 176.094 0.065 0.000 1.020 145 V CA -0.952 61.394 62.300 0.077 0.000 0.848 145 V CB 1.293 33.132 31.823 0.027 0.000 0.990 145 V HN 0.469 nan 8.190 nan 0.000 0.430 146 L N 7.600 128.875 121.223 0.087 0.000 2.350 146 L HA 0.500 4.839 4.340 -0.000 0.000 0.275 146 L C -2.070 174.887 176.870 0.146 0.000 1.099 146 L CA -1.509 53.391 54.840 0.100 0.000 0.808 146 L CB 1.818 43.995 42.059 0.196 0.000 1.149 146 L HN 0.414 nan 8.230 nan 0.000 0.442 147 P HA 0.135 nan 4.420 nan 0.000 0.282 147 P C -0.487 177.006 177.300 0.322 0.000 1.249 147 P CA -0.460 62.745 63.100 0.175 0.000 0.806 147 P CB 1.358 33.158 31.700 0.166 0.000 0.984 148 V N 5.040 125.016 119.914 0.102 0.000 2.521 148 V HA 0.114 4.233 4.120 -0.000 0.000 0.286 148 V C -1.657 174.571 176.094 0.225 0.000 1.034 148 V CA -1.045 61.334 62.300 0.130 0.000 1.045 148 V CB 0.250 32.003 31.823 -0.118 0.000 0.974 148 V HN 0.594 nan 8.190 nan 0.000 0.480 149 P HA 0.293 nan 4.420 nan 0.000 0.293 149 P C -0.925 176.370 177.300 -0.009 0.000 1.300 149 P CA -0.355 62.841 63.100 0.160 0.000 0.792 149 P CB 0.474 32.240 31.700 0.111 0.000 0.925 150 F N 3.560 123.472 119.950 -0.064 0.000 2.368 150 F HA 0.277 4.803 4.527 -0.000 0.000 0.362 150 F C 0.730 176.481 175.800 -0.082 0.000 1.137 150 F CA -0.478 57.467 58.000 -0.092 0.000 1.161 150 F CB 0.431 39.371 39.000 -0.101 0.000 1.265 150 F HN 0.023 nan 8.300 nan 0.000 0.530 151 L N 3.682 124.903 121.223 -0.003 0.000 2.257 151 L HA 0.257 4.597 4.340 -0.000 0.000 0.290 151 L C 0.239 177.121 176.870 0.020 0.000 1.044 151 L CA -0.695 54.129 54.840 -0.027 0.000 0.810 151 L CB 0.698 42.704 42.059 -0.088 0.000 1.193 151 L HN 0.480 nan 8.230 nan 0.000 0.425 152 N N 1.860 120.584 118.700 0.040 0.000 2.357 152 N HA 0.057 4.796 4.740 -0.000 0.000 0.257 152 N C 0.643 176.224 175.510 0.118 0.000 1.250 152 N CA 0.148 53.256 53.050 0.097 0.000 0.862 152 N CB 0.997 39.556 38.487 0.120 0.000 1.066 152 N HN 0.461 nan 8.380 nan 0.000 0.468 153 V N 1.248 121.264 119.914 0.170 0.000 3.431 153 V HA 0.431 4.551 4.120 -0.000 0.000 0.255 153 V C 0.115 176.310 176.094 0.167 0.000 1.403 153 V CA -0.043 62.396 62.300 0.231 0.000 1.101 153 V CB -0.406 31.531 31.823 0.189 0.000 0.891 153 V HN 0.475 nan 8.190 nan 0.000 0.446 154 L N 1.329 122.640 121.223 0.146 0.000 2.482 154 L HA 0.641 4.981 4.340 -0.000 0.000 0.263 154 L C -1.670 175.305 176.870 0.175 0.000 0.957 154 L CA -0.288 54.594 54.840 0.070 0.000 0.836 154 L CB 2.415 44.419 42.059 -0.092 0.000 1.324 154 L HN 0.311 nan 8.230 nan 0.000 0.406 155 N N 2.303 121.072 118.700 0.116 0.000 2.314 155 N HA 0.780 5.520 4.740 -0.000 0.000 0.304 155 N C -0.420 175.174 175.510 0.140 0.000 1.073 155 N CA -0.479 52.677 53.050 0.177 0.000 0.822 155 N CB 2.160 40.729 38.487 0.137 0.000 1.280 155 N HN 0.686 nan 8.380 nan 0.000 0.489 156 G N -0.357 108.582 108.800 0.232 0.000 3.212 156 G HA2 0.814 4.774 3.960 -0.000 0.000 0.188 156 G HA3 0.814 4.774 3.960 -0.000 0.000 0.188 156 G C 0.009 175.020 174.900 0.184 0.000 1.254 156 G CA -0.287 44.920 45.100 0.179 0.000 0.957 156 G HN 0.816 nan 8.290 nan 0.000 0.596 157 G N -1.156 107.766 108.800 0.204 0.000 2.615 157 G HA2 0.090 4.049 3.960 -0.000 0.000 0.218 157 G HA3 0.090 4.049 3.960 -0.000 0.000 0.218 157 G C 1.335 176.375 174.900 0.233 0.000 1.339 157 G CA 0.839 46.125 45.100 0.310 0.000 0.884 157 G HN 1.993 nan 8.290 nan 0.000 0.559 158 S N -1.030 114.838 115.700 0.280 0.000 2.507 158 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 158 S C 1.315 175.751 174.600 -0.274 0.000 0.988 158 S CA 1.910 60.144 58.200 0.057 0.000 0.944 158 S CB -0.246 62.986 63.200 0.054 0.000 0.762 158 S HN 0.790 nan 8.310 nan 0.000 0.526 159 H N 0.448 119.578 119.070 0.099 0.000 2.672 159 H HA 0.597 5.152 4.556 -0.000 0.000 0.277 159 H C 0.680 176.025 175.328 0.028 0.000 1.074 159 H CA 0.236 56.316 56.048 0.053 0.000 1.173 159 H CB 0.283 30.078 29.762 0.054 0.000 1.558 159 H HN 0.541 nan 8.280 nan 0.000 0.539 160 A N 0.592 123.465 122.820 0.088 0.000 2.294 160 A HA 0.633 4.952 4.320 -0.000 0.000 0.330 160 A C 1.001 178.575 177.584 -0.017 0.000 1.133 160 A CA -0.008 52.050 52.037 0.036 0.000 0.836 160 A CB 0.698 19.715 19.000 0.027 0.000 1.190 160 A HN 0.282 nan 8.150 nan 0.000 0.492 161 G N -0.856 107.928 108.800 -0.027 0.000 2.535 161 G HA2 0.603 4.563 3.960 -0.000 0.000 0.282 161 G HA3 0.603 4.563 3.960 -0.000 0.000 0.282 161 G C 0.714 175.575 174.900 -0.065 0.000 1.350 161 G CA 0.291 45.364 45.100 -0.046 0.000 1.039 161 G HN 2.302 nan 8.290 nan 0.000 0.509 162 G N -1.998 106.765 108.800 -0.063 0.000 2.796 162 G HA2 0.273 4.233 3.960 -0.000 0.000 0.226 162 G HA3 0.273 4.233 3.960 -0.000 0.000 0.226 162 G C 0.995 175.839 174.900 -0.093 0.000 1.381 162 G CA 0.513 45.575 45.100 -0.063 0.000 0.867 162 G HN 1.769 nan 8.290 nan 0.000 0.552 163 A N -0.877 121.894 122.820 -0.081 0.000 2.081 163 A HA 0.529 4.849 4.320 -0.000 0.000 0.214 163 A C 1.536 179.059 177.584 -0.101 0.000 1.158 163 A CA 1.446 53.421 52.037 -0.103 0.000 0.724 163 A CB -0.055 18.905 19.000 -0.067 0.000 0.826 163 A HN 1.979 nan 8.150 nan 0.000 0.463 164 L N 0.798 121.984 121.223 -0.062 0.000 2.700 164 L HA 0.128 4.468 4.340 -0.000 0.000 0.276 164 L C 1.320 178.213 176.870 0.039 0.000 1.200 164 L CA 0.556 55.390 54.840 -0.010 0.000 0.951 164 L CB 0.081 42.138 42.059 -0.004 0.000 1.226 164 L HN 0.256 nan 8.230 nan 0.000 0.489 165 A N 6.096 128.940 122.820 0.039 0.000 1.975 165 A HA 0.182 4.501 4.320 -0.000 0.000 0.215 165 A C 0.950 178.645 177.584 0.184 0.000 1.170 165 A CA 0.244 52.356 52.037 0.125 0.000 0.656 165 A CB -0.331 18.509 19.000 -0.267 0.000 0.821 165 A HN 0.644 nan 8.150 nan 0.000 0.449 166 L N 0.002 121.310 121.223 0.142 0.000 2.439 166 L HA 0.136 4.476 4.340 -0.000 0.000 0.269 166 L C 1.498 178.482 176.870 0.190 0.000 1.179 166 L CA -0.201 54.731 54.840 0.153 0.000 0.828 166 L CB 0.670 42.735 42.059 0.010 0.000 1.106 166 L HN 0.356 nan 8.230 nan 0.000 0.467 167 K N 1.553 122.012 120.400 0.098 0.000 2.078 167 K HA 0.090 4.409 4.320 -0.000 0.000 0.203 167 K C 0.031 176.710 176.600 0.131 0.000 1.043 167 K CA 0.706 57.072 56.287 0.131 0.000 0.960 167 K CB 0.417 32.977 32.500 0.100 0.000 0.761 167 K HN 0.625 nan 8.250 nan 0.000 0.448 168 E N -0.223 119.969 120.200 -0.013 0.000 2.199 168 E HA 0.275 4.625 4.350 -0.000 0.000 0.269 168 E C -1.447 175.055 176.600 -0.164 0.000 0.899 168 E CA -0.660 55.765 56.400 0.041 0.000 0.772 168 E CB 1.750 31.474 29.700 0.039 0.000 1.155 168 E HN 0.032 nan 8.360 nan 0.000 0.408 169 F N 2.572 122.540 119.950 0.029 0.000 2.449 169 F HA 0.462 4.989 4.527 -0.000 0.000 0.342 169 F C 0.060 175.879 175.800 0.032 0.000 1.127 169 F CA -0.686 57.321 58.000 0.013 0.000 0.975 169 F CB 1.142 40.130 39.000 -0.019 0.000 1.146 169 F HN 0.170 nan 8.300 nan 0.000 0.444 170 M N 4.808 124.499 119.600 0.153 0.000 2.602 170 M HA 0.627 5.107 4.480 -0.000 0.000 0.312 170 M C -0.678 175.661 176.300 0.066 0.000 1.181 170 M CA -0.953 54.420 55.300 0.122 0.000 0.910 170 M CB 2.841 35.539 32.600 0.163 0.000 1.723 170 M HN 0.515 nan 8.290 nan 0.000 0.459 171 I N -0.399 120.171 120.570 -0.000 0.000 2.562 171 I HA 0.966 5.136 4.170 -0.000 0.000 0.301 171 I C -0.833 175.131 176.117 -0.255 0.000 1.003 171 I CA -0.775 60.473 61.300 -0.087 0.000 1.127 171 I CB 1.934 39.906 38.000 -0.047 0.000 1.304 171 I HN 0.691 nan 8.210 nan 0.000 0.446 172 A N 5.282 127.868 122.820 -0.391 0.000 2.411 172 A HA 0.729 5.049 4.320 -0.000 0.000 0.285 172 A C -2.735 174.607 177.584 -0.403 0.000 1.129 172 A CA -1.444 50.184 52.037 -0.682 0.000 0.736 172 A CB 0.959 19.080 19.000 -1.464 0.000 1.186 172 A HN 0.591 nan 8.150 nan 0.000 0.445 173 P HA 0.122 nan 4.420 nan 0.000 0.225 173 P C 1.184 178.485 177.300 0.001 0.000 1.813 173 P CA 0.130 63.148 63.100 -0.136 0.000 1.013 173 P CB -0.004 31.598 31.700 -0.164 0.000 1.961 174 T N -2.897 111.627 114.554 -0.051 0.000 2.962 174 T HA -0.072 4.277 4.350 -0.000 0.000 0.270 174 T C 1.898 176.687 174.700 0.148 0.000 1.088 174 T CA 1.284 63.407 62.100 0.038 0.000 1.127 174 T CB -0.754 68.133 68.868 0.033 0.000 0.883 174 T HN 0.238 nan 8.240 nan 0.000 0.493 175 G N 0.845 109.709 108.800 0.106 0.000 2.880 175 G HA2 0.486 4.446 3.960 -0.000 0.000 0.209 175 G HA3 0.486 4.446 3.960 -0.000 0.000 0.209 175 G C 0.633 175.599 174.900 0.109 0.000 1.157 175 G CA 0.055 45.217 45.100 0.103 0.000 0.779 175 G HN 0.839 nan 8.290 nan 0.000 0.539 176 A N 0.208 123.098 122.820 0.116 0.000 2.425 176 A HA 0.434 4.754 4.320 -0.000 0.000 0.242 176 A C 1.476 179.069 177.584 0.015 0.000 1.077 176 A CA 0.065 52.085 52.037 -0.030 0.000 0.781 176 A CB 0.615 19.466 19.000 -0.249 0.000 1.020 176 A HN 0.221 nan 8.150 nan 0.000 0.494 177 K N -0.262 120.081 120.400 -0.095 0.000 2.243 177 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 177 K C 0.381 176.914 176.600 -0.111 0.000 1.051 177 K CA 1.619 57.894 56.287 -0.020 0.000 0.970 177 K CB -0.002 32.486 32.500 -0.020 0.000 0.755 177 K HN 0.924 nan 8.250 nan 0.000 0.465 178 T N -4.160 110.117 114.554 -0.462 0.000 2.812 178 T HA 0.207 4.557 4.350 -0.000 0.000 0.294 178 T C 0.324 174.402 174.700 -1.036 0.000 1.159 178 T CA -0.903 60.898 62.100 -0.497 0.000 1.008 178 T CB 0.562 69.311 68.868 -0.197 0.000 1.289 178 T HN 0.023 nan 8.240 nan 0.000 0.514 179 F N 1.546 121.090 119.950 -0.677 0.000 2.146 179 F HA 0.192 4.719 4.527 -0.000 0.000 0.298 179 F C 2.621 178.224 175.800 -0.328 0.000 1.096 179 F CA 1.882 59.600 58.000 -0.470 0.000 1.275 179 F CB -0.856 38.110 39.000 -0.057 0.000 1.008 179 F HN 0.797 nan 8.300 nan 0.000 0.480 180 A N 0.126 122.858 122.820 -0.147 0.000 1.892 180 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 180 A C 2.246 179.655 177.584 -0.292 0.000 1.188 180 A CA 2.150 54.091 52.037 -0.160 0.000 0.631 180 A CB -1.219 17.750 19.000 -0.052 0.000 0.822 180 A HN 0.598 nan 8.150 nan 0.000 0.447 181 E N -0.379 119.628 120.200 -0.322 0.000 2.077 181 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 181 E C 2.173 178.543 176.600 -0.384 0.000 0.989 181 E CA 1.014 57.233 56.400 -0.302 0.000 0.800 181 E CB -0.281 29.261 29.700 -0.263 0.000 0.746 181 E HN 0.551 nan 8.360 nan 0.000 0.452 182 A N 1.092 123.583 122.820 -0.548 0.000 1.883 182 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 182 A C 2.135 179.439 177.584 -0.467 0.000 1.186 182 A CA 1.437 53.172 52.037 -0.503 0.000 0.624 182 A CB -0.736 17.928 19.000 -0.559 0.000 0.822 182 A HN 0.384 nan 8.150 nan 0.000 0.444 183 L N -0.162 120.707 121.223 -0.591 0.000 2.046 183 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 183 L C 2.464 179.177 176.870 -0.261 0.000 1.077 183 L CA 2.356 56.935 54.840 -0.436 0.000 0.747 183 L CB -0.757 41.036 42.059 -0.444 0.000 0.896 183 L HN 0.532 nan 8.230 nan 0.000 0.432 184 R N 0.175 120.536 120.500 -0.231 0.000 2.070 184 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 184 R C 2.441 178.652 176.300 -0.148 0.000 1.138 184 R CA 2.278 58.295 56.100 -0.138 0.000 0.936 184 R CB -0.581 29.656 30.300 -0.106 0.000 0.839 184 R HN 0.593 nan 8.270 nan 0.000 0.429 185 I N -1.651 118.759 120.570 -0.266 0.000 2.361 185 I HA 0.017 4.187 4.170 -0.000 0.000 0.251 185 I C 2.102 178.031 176.117 -0.312 0.000 1.133 185 I CA 1.786 62.811 61.300 -0.457 0.000 1.413 185 I CB -0.840 36.612 38.000 -0.913 0.000 1.073 185 I HN 0.218 nan 8.210 nan 0.000 0.424 186 G N 1.590 110.240 108.800 -0.250 0.000 2.418 186 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 186 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 186 G C 1.817 176.653 174.900 -0.107 0.000 1.158 186 G CA 1.256 46.254 45.100 -0.170 0.000 0.771 186 G HN 0.602 nan 8.290 nan 0.000 0.545 187 S N 0.559 116.188 115.700 -0.118 0.000 2.399 187 S HA -0.079 4.390 4.470 -0.000 0.000 0.231 187 S C 1.992 176.572 174.600 -0.034 0.000 1.022 187 S CA 1.738 59.869 58.200 -0.116 0.000 0.983 187 S CB -0.304 62.869 63.200 -0.045 0.000 0.803 187 S HN 0.584 nan 8.310 nan 0.000 0.480 188 E N 0.629 120.871 120.200 0.070 0.000 2.107 188 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 188 E C 2.151 178.841 176.600 0.150 0.000 0.982 188 E CA 1.075 57.580 56.400 0.176 0.000 0.809 188 E CB -0.234 29.612 29.700 0.243 0.000 0.756 188 E HN 0.419 nan 8.360 nan 0.000 0.459 189 V N 0.863 120.848 119.914 0.119 0.000 2.307 189 V HA -0.269 3.850 4.120 -0.000 0.000 0.245 189 V C 2.047 178.181 176.094 0.066 0.000 1.045 189 V CA 1.802 64.163 62.300 0.102 0.000 1.024 189 V CB -0.587 31.285 31.823 0.081 0.000 0.651 189 V HN 0.298 nan 8.190 nan 0.000 0.449 190 Y N 1.246 121.488 120.300 -0.097 0.000 2.081 190 Y HA -0.352 4.198 4.550 -0.000 0.000 0.280 190 Y C 2.584 178.420 175.900 -0.107 0.000 1.163 190 Y CA 2.355 60.368 58.100 -0.145 0.000 1.135 190 Y CB -0.673 37.632 38.460 -0.258 0.000 0.970 190 Y HN 0.429 nan 8.280 nan 0.000 0.498 191 H N -0.722 118.372 119.070 0.040 0.000 2.319 191 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 191 H C 2.221 177.498 175.328 -0.085 0.000 1.092 191 H CA 1.347 57.361 56.048 -0.055 0.000 1.302 191 H CB -0.278 29.512 29.762 0.047 0.000 1.373 191 H HN 0.371 nan 8.280 nan 0.000 0.497 192 N N 0.649 119.399 118.700 0.083 0.000 2.137 192 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 192 N C 1.973 177.470 175.510 -0.022 0.000 1.017 192 N CA 1.136 54.203 53.050 0.028 0.000 0.859 192 N CB -0.192 38.317 38.487 0.037 0.000 1.002 192 N HN 0.223 nan 8.380 nan 0.000 0.428 193 L N 1.869 123.051 121.223 -0.068 0.000 2.056 193 L HA -0.083 4.256 4.340 -0.000 0.000 0.207 193 L C 2.253 179.043 176.870 -0.134 0.000 1.078 193 L CA 1.745 56.528 54.840 -0.096 0.000 0.749 193 L CB -0.540 41.449 42.059 -0.116 0.000 0.901 193 L HN -0.029 nan 8.230 nan 0.000 0.433 194 K N -0.675 119.586 120.400 -0.232 0.000 2.057 194 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 194 K C 2.227 178.778 176.600 -0.082 0.000 1.049 194 K CA 1.592 57.753 56.287 -0.210 0.000 0.931 194 K CB -0.171 32.155 32.500 -0.291 0.000 0.714 194 K HN 0.633 nan 8.250 nan 0.000 0.440 195 S N 0.656 116.326 115.700 -0.049 0.000 2.368 195 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 195 S C 2.049 176.645 174.600 -0.006 0.000 1.029 195 S CA 0.939 59.128 58.200 -0.018 0.000 0.988 195 S CB -0.597 62.598 63.200 -0.007 0.000 0.838 195 S HN 0.295 nan 8.310 nan 0.000 0.462 196 L N 1.283 122.503 121.223 -0.005 0.000 2.083 196 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 196 L C 3.020 179.922 176.870 0.053 0.000 1.083 196 L CA 1.615 56.462 54.840 0.013 0.000 0.752 196 L CB -1.151 40.915 42.059 0.013 0.000 0.899 196 L HN 0.381 nan 8.230 nan 0.000 0.433 197 T N -0.483 114.107 114.554 0.059 0.000 2.708 197 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 197 T C 1.890 176.682 174.700 0.154 0.000 1.037 197 T CA 1.304 63.489 62.100 0.143 0.000 1.146 197 T CB -0.086 68.788 68.868 0.009 0.000 0.865 197 T HN 0.281 nan 8.240 nan 0.000 0.435 198 K N 0.901 121.337 120.400 0.060 0.000 2.103 198 K HA -0.090 4.229 4.320 -0.000 0.000 0.207 198 K C 2.378 178.999 176.600 0.034 0.000 1.048 198 K CA 1.053 57.367 56.287 0.046 0.000 0.930 198 K CB -0.096 32.413 32.500 0.016 0.000 0.716 198 K HN 0.253 nan 8.250 nan 0.000 0.444 199 K N 1.185 121.596 120.400 0.018 0.000 2.057 199 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 199 K C 2.033 178.606 176.600 -0.045 0.000 1.050 199 K CA 1.203 57.483 56.287 -0.011 0.000 0.935 199 K CB 0.161 32.651 32.500 -0.017 0.000 0.715 199 K HN 0.053 nan 8.250 nan 0.000 0.439 200 R N -1.248 119.214 120.500 -0.062 0.000 2.090 200 R HA -0.026 4.314 4.340 -0.000 0.000 0.219 200 R C 1.493 177.561 176.300 -0.387 0.000 1.100 200 R CA 1.117 57.060 56.100 -0.263 0.000 0.991 200 R CB 0.058 30.125 30.300 -0.389 0.000 0.893 200 R HN 0.263 nan 8.270 nan 0.000 0.443 201 Y N -0.521 119.761 120.300 -0.030 0.000 2.444 201 Y HA 0.350 4.900 4.550 -0.000 0.000 0.249 201 Y C 0.797 176.683 175.900 -0.023 0.000 1.134 201 Y CA 0.220 58.303 58.100 -0.028 0.000 1.261 201 Y CB 1.435 39.874 38.460 -0.034 0.000 1.143 201 Y HN 0.182 nan 8.280 nan 0.000 0.523 202 G N -0.019 108.837 108.800 0.093 0.000 2.617 202 G HA2 0.095 4.054 3.960 -0.000 0.000 0.686 202 G HA3 0.095 4.054 3.960 -0.000 0.000 0.686 202 G C 0.541 175.470 174.900 0.050 0.000 1.214 202 G CA -0.548 44.584 45.100 0.053 0.000 0.796 202 G HN 0.325 nan 8.290 nan 0.000 0.654 203 A N 0.426 123.263 122.820 0.028 0.000 1.978 203 A HA 0.129 4.449 4.320 -0.000 0.000 0.220 203 A C 2.739 180.336 177.584 0.022 0.000 1.170 203 A CA 3.145 55.194 52.037 0.021 0.000 0.636 203 A CB -0.678 18.330 19.000 0.013 0.000 0.810 203 A HN 2.355 nan 8.150 nan 0.000 0.448 204 S N -0.409 115.306 115.700 0.024 0.000 2.481 204 S HA 0.231 4.700 4.470 -0.000 0.000 0.231 204 S C 1.745 176.356 174.600 0.019 0.000 0.996 204 S CA 0.875 59.088 58.200 0.021 0.000 0.942 204 S CB -0.369 62.843 63.200 0.020 0.000 0.768 204 S HN 0.840 nan 8.310 nan 0.000 0.520 205 A N 1.159 123.995 122.820 0.027 0.000 2.206 205 A HA 0.437 4.757 4.320 -0.000 0.000 0.211 205 A C 2.030 179.606 177.584 -0.012 0.000 1.158 205 A CA 0.713 52.755 52.037 0.008 0.000 0.761 205 A CB -1.034 17.994 19.000 0.047 0.000 0.801 205 A HN 0.618 nan 8.150 nan 0.000 0.473 206 G N -0.267 108.533 108.800 0.001 0.000 2.813 206 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.209 206 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.209 206 G C 0.450 175.354 174.900 0.008 0.000 1.150 206 G CA -0.373 44.721 45.100 -0.010 0.000 0.785 206 G HN 0.432 nan 8.290 nan 0.000 0.535 207 N N 0.511 119.221 118.700 0.015 0.000 2.416 207 N HA 0.233 4.973 4.740 -0.000 0.000 0.246 207 N C 0.284 175.817 175.510 0.038 0.000 1.260 207 N CA 0.066 53.133 53.050 0.030 0.000 0.897 207 N CB 1.816 40.318 38.487 0.024 0.000 1.110 207 N HN 0.124 nan 8.380 nan 0.000 0.439 208 V N -1.882 118.067 119.914 0.058 0.000 2.732 208 V HA 0.863 4.982 4.120 -0.000 0.000 0.310 208 V C 0.867 176.999 176.094 0.062 0.000 1.053 208 V CA -0.846 61.502 62.300 0.079 0.000 0.957 208 V CB 1.180 33.076 31.823 0.122 0.000 1.018 208 V HN 0.600 nan 8.190 nan 0.000 0.452 209 G N 1.277 110.118 108.800 0.069 0.000 2.508 209 G HA2 0.298 4.257 3.960 -0.000 0.000 0.278 209 G HA3 0.298 4.257 3.960 -0.000 0.000 0.278 209 G C 0.188 175.120 174.900 0.053 0.000 1.389 209 G CA 0.031 45.166 45.100 0.058 0.000 1.050 209 G HN 0.768 nan 8.290 nan 0.000 0.522 210 D N -0.444 119.979 120.400 0.037 0.000 2.178 210 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 210 D C 1.913 178.233 176.300 0.034 0.000 0.980 210 D CA 1.108 55.119 54.000 0.018 0.000 0.842 210 D CB 0.221 41.013 40.800 -0.013 0.000 0.948 210 D HN 0.615 nan 8.370 nan 0.000 0.472 211 E N -1.069 119.169 120.200 0.062 0.000 2.481 211 E HA 0.295 4.645 4.350 -0.000 0.000 0.198 211 E C 1.014 177.670 176.600 0.094 0.000 1.027 211 E CA 0.219 56.681 56.400 0.102 0.000 0.900 211 E CB 0.902 30.701 29.700 0.164 0.000 0.993 211 E HN 0.221 nan 8.360 nan 0.000 0.482 212 G N 1.213 110.063 108.800 0.083 0.000 2.175 212 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.244 212 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.244 212 G C 0.521 175.521 174.900 0.165 0.000 0.982 212 G CA -0.284 44.865 45.100 0.081 0.000 0.641 212 G HN 0.452 nan 8.290 nan 0.000 0.527 213 G N -0.465 108.439 108.800 0.173 0.000 2.537 213 G HA2 0.680 4.640 3.960 -0.000 0.000 0.273 213 G HA3 0.680 4.640 3.960 -0.000 0.000 0.273 213 G C 0.691 175.688 174.900 0.162 0.000 1.189 213 G CA 0.300 45.540 45.100 0.234 0.000 0.881 213 G HN 1.561 nan 8.290 nan 0.000 0.535 214 V N -1.470 118.503 119.914 0.099 0.000 3.051 214 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 214 V C 0.631 176.712 176.094 -0.022 0.000 1.083 214 V CA -0.138 62.163 62.300 0.001 0.000 1.104 214 V CB 1.297 33.071 31.823 -0.081 0.000 1.027 214 V HN 1.393 nan 8.190 nan 0.000 0.483 215 A N 3.732 126.523 122.820 -0.048 0.000 3.410 215 A HA 0.654 4.974 4.320 -0.000 0.000 0.276 215 A C -2.013 175.500 177.584 -0.119 0.000 0.995 215 A CA -1.060 50.940 52.037 -0.063 0.000 0.934 215 A CB -0.289 18.712 19.000 0.001 0.000 1.191 215 A HN 0.830 nan 8.150 nan 0.000 0.511 216 P HA 0.155 nan 4.420 nan 0.000 0.274 216 P C -0.650 176.491 177.300 -0.265 0.000 1.246 216 P CA -0.418 62.494 63.100 -0.313 0.000 0.795 216 P CB 0.551 31.819 31.700 -0.720 0.000 1.006 217 N N 1.109 119.706 118.700 -0.172 0.000 2.400 217 N HA 0.141 4.881 4.740 -0.000 0.000 0.278 217 N C 0.014 175.461 175.510 -0.106 0.000 1.247 217 N CA 0.461 53.455 53.050 -0.093 0.000 0.970 217 N CB -0.490 37.989 38.487 -0.013 0.000 1.312 217 N HN 0.360 nan 8.380 nan 0.000 0.488 218 I N 1.435 121.921 120.570 -0.140 0.000 2.562 218 I HA 0.147 4.317 4.170 -0.000 0.000 0.301 218 I C 1.170 177.250 176.117 -0.062 0.000 1.003 218 I CA -0.615 60.615 61.300 -0.117 0.000 1.127 218 I CB 2.043 39.914 38.000 -0.215 0.000 1.304 218 I HN 0.203 nan 8.210 nan 0.000 0.446 219 Q N 2.040 121.824 119.800 -0.028 0.000 2.423 219 Q HA 0.135 4.475 4.340 -0.000 0.000 0.231 219 Q C 0.364 176.351 176.000 -0.021 0.000 0.894 219 Q CA 0.644 56.435 55.803 -0.021 0.000 0.938 219 Q CB 0.944 29.682 28.738 0.000 0.000 1.079 219 Q HN 0.845 nan 8.270 nan 0.000 0.552 220 T N -3.959 110.583 114.554 -0.020 0.000 2.896 220 T HA 0.689 5.039 4.350 -0.000 0.000 0.297 220 T C 0.751 175.443 174.700 -0.013 0.000 1.108 220 T CA -0.191 61.905 62.100 -0.005 0.000 1.004 220 T CB 1.840 70.716 68.868 0.014 0.000 1.159 220 T HN -0.039 nan 8.240 nan 0.000 0.499 221 A N 0.860 123.704 122.820 0.039 0.000 1.933 221 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 221 A C 1.984 179.562 177.584 -0.011 0.000 1.175 221 A CA 1.774 53.867 52.037 0.093 0.000 0.628 221 A CB -1.050 18.062 19.000 0.188 0.000 0.814 221 A HN 0.923 nan 8.150 nan 0.000 0.444 222 E N -0.264 119.960 120.200 0.040 0.000 2.110 222 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 222 E C 1.949 178.560 176.600 0.018 0.000 0.988 222 E CA 1.356 57.808 56.400 0.087 0.000 0.804 222 E CB -0.183 29.624 29.700 0.178 0.000 0.745 222 E HN 0.823 nan 8.360 nan 0.000 0.458 223 E N 0.257 120.450 120.200 -0.011 0.000 2.047 223 E HA -0.204 4.145 4.350 -0.000 0.000 0.191 223 E C 2.012 178.549 176.600 -0.104 0.000 0.987 223 E CA 1.016 57.406 56.400 -0.016 0.000 0.799 223 E CB -0.110 29.593 29.700 0.005 0.000 0.752 223 E HN 0.246 nan 8.360 nan 0.000 0.449 224 A N 1.155 123.827 122.820 -0.247 0.000 1.865 224 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 224 A C 2.227 179.568 177.584 -0.405 0.000 1.191 224 A CA 1.454 53.204 52.037 -0.479 0.000 0.623 224 A CB -0.775 17.612 19.000 -1.023 0.000 0.826 224 A HN 0.328 nan 8.150 nan 0.000 0.444 225 L N -0.674 120.315 121.223 -0.390 0.000 2.156 225 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 225 L C 1.930 178.656 176.870 -0.240 0.000 1.095 225 L CA 1.091 55.648 54.840 -0.473 0.000 0.770 225 L CB -0.520 40.843 42.059 -1.160 0.000 0.914 225 L HN 0.286 nan 8.230 nan 0.000 0.439 226 D N -0.030 120.336 120.400 -0.056 0.000 2.144 226 D HA -0.171 4.468 4.640 -0.000 0.000 0.199 226 D C 2.054 178.379 176.300 0.042 0.000 0.984 226 D CA 1.003 55.065 54.000 0.102 0.000 0.834 226 D CB -0.036 40.833 40.800 0.115 0.000 0.955 226 D HN 0.142 nan 8.370 nan 0.000 0.465 227 L N 0.569 121.785 121.223 -0.012 0.000 2.056 227 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 227 L C 2.033 178.894 176.870 -0.015 0.000 1.078 227 L CA 1.246 56.084 54.840 -0.004 0.000 0.749 227 L CB -0.351 41.699 42.059 -0.015 0.000 0.901 227 L HN -0.040 nan 8.230 nan 0.000 0.433 228 I N -1.729 118.815 120.570 -0.044 0.000 2.202 228 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 228 I C 2.329 178.462 176.117 0.027 0.000 1.091 228 I CA 1.049 62.339 61.300 -0.016 0.000 1.368 228 I CB -0.367 37.618 38.000 -0.024 0.000 1.058 228 I HN 0.041 nan 8.210 nan 0.000 0.410 229 V N 0.942 120.888 119.914 0.054 0.000 2.332 229 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 229 V C 2.090 178.222 176.094 0.063 0.000 1.055 229 V CA 2.078 64.433 62.300 0.091 0.000 1.038 229 V CB -0.723 31.200 31.823 0.165 0.000 0.651 229 V HN 0.418 nan 8.190 nan 0.000 0.450 230 D N 0.455 120.885 120.400 0.050 0.000 2.104 230 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 230 D C 2.254 178.569 176.300 0.024 0.000 0.994 230 D CA 1.753 55.773 54.000 0.033 0.000 0.830 230 D CB -0.490 40.326 40.800 0.027 0.000 0.959 230 D HN 0.448 nan 8.370 nan 0.000 0.452 231 A N 0.885 123.718 122.820 0.022 0.000 1.883 231 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 231 A C 2.428 180.034 177.584 0.037 0.000 1.186 231 A CA 1.210 53.260 52.037 0.021 0.000 0.624 231 A CB -0.885 18.122 19.000 0.011 0.000 0.822 231 A HN 0.216 nan 8.150 nan 0.000 0.444 232 I N -0.636 119.964 120.570 0.049 0.000 2.208 232 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 232 I C 2.609 178.752 176.117 0.042 0.000 1.097 232 I CA 2.008 63.350 61.300 0.070 0.000 1.363 232 I CB -0.244 37.798 38.000 0.071 0.000 1.051 232 I HN 0.383 nan 8.210 nan 0.000 0.413 233 K N 1.058 121.473 120.400 0.026 0.000 2.025 233 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 233 K C 2.248 178.832 176.600 -0.026 0.000 1.049 233 K CA 1.363 57.651 56.287 0.002 0.000 0.933 233 K CB -0.110 32.397 32.500 0.011 0.000 0.714 233 K HN 0.282 nan 8.250 nan 0.000 0.438 234 A N 1.055 123.866 122.820 -0.014 0.000 1.940 234 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 234 A C 2.203 179.757 177.584 -0.050 0.000 1.176 234 A CA 1.923 53.946 52.037 -0.024 0.000 0.631 234 A CB -0.642 18.354 19.000 -0.007 0.000 0.814 234 A HN 0.462 nan 8.150 nan 0.000 0.446 235 A N -1.742 121.048 122.820 -0.051 0.000 2.167 235 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 235 A C 1.776 179.113 177.584 -0.412 0.000 1.151 235 A CA 1.258 53.233 52.037 -0.104 0.000 0.735 235 A CB -0.996 18.049 19.000 0.074 0.000 0.802 235 A HN 1.987 nan 8.150 nan 0.000 0.467 236 G N -0.995 107.616 108.800 -0.316 0.000 2.212 236 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.255 236 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.255 236 G C 0.081 174.698 174.900 -0.472 0.000 1.062 236 G CA 0.380 45.269 45.100 -0.351 0.000 0.815 236 G HN 0.686 nan 8.290 nan 0.000 0.497 237 H N -0.071 119.001 119.070 0.002 0.000 2.510 237 H HA 0.203 4.759 4.556 -0.000 0.000 0.266 237 H C 0.179 175.510 175.328 0.004 0.000 1.146 237 H CA -0.561 55.486 56.048 -0.002 0.000 0.993 237 H CB 0.413 30.169 29.762 -0.010 0.000 1.727 237 H HN 0.342 nan 8.280 nan 0.000 0.590 238 D N 0.643 121.087 120.400 0.072 0.000 2.525 238 D HA 0.147 4.786 4.640 -0.000 0.000 0.235 238 D C 1.645 177.982 176.300 0.060 0.000 1.137 238 D CA 1.840 55.875 54.000 0.058 0.000 0.868 238 D CB 0.873 41.693 40.800 0.033 0.000 1.180 238 D HN 0.613 nan 8.370 nan 0.000 0.465 239 G N 2.637 111.470 108.800 0.056 0.000 2.320 239 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 239 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 239 G C 1.248 176.179 174.900 0.051 0.000 1.033 239 G CA 0.205 45.335 45.100 0.051 0.000 0.620 239 G HN 0.463 nan 8.290 nan 0.000 0.517 240 K N -0.085 120.350 120.400 0.057 0.000 2.361 240 K HA 0.377 4.697 4.320 -0.000 0.000 0.194 240 K C 0.651 177.256 176.600 0.008 0.000 1.032 240 K CA 0.349 56.661 56.287 0.043 0.000 1.048 240 K CB 0.811 33.344 32.500 0.056 0.000 0.842 240 K HN 0.444 nan 8.250 nan 0.000 0.526 241 I N 2.246 122.823 120.570 0.011 0.000 2.418 241 I HA 0.257 4.426 4.170 -0.000 0.000 0.287 241 I C 0.143 176.245 176.117 -0.025 0.000 1.008 241 I CA -0.808 60.473 61.300 -0.032 0.000 1.104 241 I CB 1.625 39.617 38.000 -0.014 0.000 1.264 241 I HN -0.238 nan 8.210 nan 0.000 0.438 242 K N 5.880 126.232 120.400 -0.079 0.000 2.288 242 K HA 0.725 5.044 4.320 -0.000 0.000 0.234 242 K C -0.439 176.115 176.600 -0.076 0.000 1.037 242 K CA -0.829 55.426 56.287 -0.053 0.000 0.914 242 K CB 2.124 34.586 32.500 -0.063 0.000 1.197 242 K HN 0.418 nan 8.250 nan 0.000 0.471 243 I N -0.151 120.413 120.570 -0.010 0.000 2.569 243 I HA 0.451 4.621 4.170 -0.000 0.000 0.296 243 I C 0.179 176.338 176.117 0.070 0.000 1.028 243 I CA -0.898 60.416 61.300 0.023 0.000 1.082 243 I CB 2.342 40.385 38.000 0.071 0.000 1.264 243 I HN 0.569 nan 8.210 nan 0.000 0.429 244 G N 5.367 114.234 108.800 0.113 0.000 2.519 244 G HA2 0.798 4.758 3.960 -0.000 0.000 0.307 244 G HA3 0.798 4.758 3.960 -0.000 0.000 0.307 244 G C -1.274 173.628 174.900 0.003 0.000 1.266 244 G CA -0.571 44.622 45.100 0.156 0.000 0.970 244 G HN 0.406 nan 8.290 nan 0.000 0.481 245 L N 0.881 122.039 121.223 -0.108 0.000 2.346 245 L HA 0.488 4.828 4.340 -0.000 0.000 0.274 245 L C -1.145 175.585 176.870 -0.235 0.000 1.007 245 L CA -1.047 53.623 54.840 -0.284 0.000 0.818 245 L CB 2.450 44.274 42.059 -0.391 0.000 1.284 245 L HN 0.409 nan 8.230 nan 0.000 0.424 246 D N 0.563 120.822 120.400 -0.235 0.000 2.414 246 D HA 0.266 4.906 4.640 -0.000 0.000 0.232 246 D C 0.352 176.535 176.300 -0.194 0.000 1.070 246 D CA -0.465 53.430 54.000 -0.176 0.000 0.839 246 D CB 1.724 42.475 40.800 -0.082 0.000 1.079 246 D HN 0.506 nan 8.370 nan 0.000 0.521 247 C N 3.219 122.389 119.300 -0.217 0.000 2.467 247 C HA 0.309 4.769 4.460 -0.000 0.000 0.279 247 C C 1.577 176.542 174.990 -0.041 0.000 1.347 247 C CA 0.496 59.435 59.018 -0.132 0.000 1.748 247 C CB -1.330 26.279 27.740 -0.218 0.000 1.977 247 C HN 0.909 nan 8.230 nan 0.000 0.501 248 A N 1.306 124.052 122.820 -0.124 0.000 2.560 248 A HA -0.215 4.105 4.320 -0.000 0.000 0.299 248 A C 1.568 178.960 177.584 -0.320 0.000 1.484 248 A CA 0.932 52.887 52.037 -0.136 0.000 0.749 248 A CB -1.799 17.172 19.000 -0.049 0.000 1.072 248 A HN 1.042 nan 8.150 nan 0.000 0.426 249 S N -0.897 114.507 115.700 -0.494 0.000 2.481 249 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 249 S C 1.688 175.776 174.600 -0.854 0.000 0.996 249 S CA 1.272 58.808 58.200 -1.107 0.000 0.942 249 S CB -0.346 62.392 63.200 -0.771 0.000 0.768 249 S HN 1.076 nan 8.310 nan 0.000 0.520 250 S N 2.180 117.623 115.700 -0.428 0.000 2.440 250 S HA -0.096 4.374 4.470 -0.000 0.000 0.238 250 S C 1.643 176.064 174.600 -0.299 0.000 1.010 250 S CA 1.276 59.314 58.200 -0.270 0.000 0.972 250 S CB -0.343 62.760 63.200 -0.162 0.000 0.774 250 S HN 0.707 nan 8.310 nan 0.000 0.501 251 E N 0.418 120.365 120.200 -0.422 0.000 2.358 251 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 251 E C 0.674 176.923 176.600 -0.586 0.000 1.010 251 E CA 0.629 56.795 56.400 -0.390 0.000 0.856 251 E CB -0.028 29.496 29.700 -0.293 0.000 0.795 251 E HN 0.850 nan 8.360 nan 0.000 0.504 252 F N -1.752 117.855 119.950 -0.573 0.000 2.735 252 F HA 0.363 4.890 4.527 -0.000 0.000 0.304 252 F C -0.102 175.506 175.800 -0.320 0.000 1.119 252 F CA -1.196 56.425 58.000 -0.631 0.000 1.280 252 F CB -0.231 38.297 39.000 -0.787 0.000 0.994 252 F HN -0.264 nan 8.300 nan 0.000 0.520 253 F N 3.548 123.206 119.950 -0.487 0.000 2.411 253 F HA 0.647 5.174 4.527 -0.001 0.000 0.355 253 F C -0.417 175.152 175.800 -0.384 0.000 1.117 253 F CA -0.838 56.830 58.000 -0.553 0.000 1.139 253 F CB 0.647 39.308 39.000 -0.566 0.000 1.120 253 F HN -0.011 nan 8.300 nan 0.000 0.493 254 K N 4.587 124.450 120.400 -0.894 0.000 2.535 254 K HA 0.217 4.537 4.320 -0.000 0.000 0.251 254 K C -0.989 175.319 176.600 -0.486 0.000 0.942 254 K CA -0.938 54.990 56.287 -0.597 0.000 0.798 254 K CB 1.841 34.083 32.500 -0.429 0.000 1.267 254 K HN 0.546 nan 8.250 nan 0.000 0.434 255 D N 1.617 121.803 120.400 -0.357 0.000 2.708 255 D HA -0.183 4.457 4.640 -0.000 0.000 0.236 255 D C 0.708 176.868 176.300 -0.232 0.000 1.146 255 D CA 2.096 55.996 54.000 -0.167 0.000 0.662 255 D CB -0.990 39.847 40.800 0.062 0.000 1.059 255 D HN 1.013 nan 8.370 nan 0.000 0.428 256 G N -0.729 107.746 108.800 -0.542 0.000 2.168 256 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.263 256 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.263 256 G C 0.452 175.300 174.900 -0.088 0.000 0.977 256 G CA 1.009 45.975 45.100 -0.224 0.000 0.659 256 G HN 0.657 nan 8.290 nan 0.000 0.533 257 K N -1.467 118.726 120.400 -0.346 0.000 2.409 257 K HA 0.651 4.971 4.320 -0.000 0.000 0.252 257 K C -1.292 175.164 176.600 -0.241 0.000 1.036 257 K CA -1.002 55.277 56.287 -0.014 0.000 0.871 257 K CB 1.498 34.151 32.500 0.254 0.000 1.374 257 K HN 0.054 nan 8.250 nan 0.000 0.459 258 Y N 0.476 120.907 120.300 0.219 0.000 2.328 258 Y HA 0.156 4.706 4.550 -0.001 0.000 0.336 258 Y C -0.479 175.431 175.900 0.015 0.000 0.960 258 Y CA -0.771 57.458 58.100 0.215 0.000 1.134 258 Y CB 1.400 40.064 38.460 0.339 0.000 1.166 258 Y HN 0.447 nan 8.280 nan 0.000 0.464 259 D N 4.185 124.510 120.400 -0.125 0.000 2.467 259 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 259 D C 0.358 176.551 176.300 -0.178 0.000 1.103 259 D CA 0.001 53.728 54.000 -0.455 0.000 0.886 259 D CB 0.725 40.824 40.800 -1.169 0.000 1.025 259 D HN 0.649 nan 8.370 nan 0.000 0.514 260 L N 2.036 123.153 121.223 -0.176 0.000 2.622 260 L HA 0.036 4.376 4.340 -0.000 0.000 0.233 260 L C 0.832 177.649 176.870 -0.090 0.000 1.156 260 L CA 0.537 55.208 54.840 -0.282 0.000 0.866 260 L CB 0.102 42.012 42.059 -0.248 0.000 0.980 260 L HN 0.281 nan 8.230 nan 0.000 0.448 261 D N -0.728 119.667 120.400 -0.007 0.000 2.772 261 D HA 0.011 4.651 4.640 -0.000 0.000 0.272 261 D C 1.353 177.658 176.300 0.009 0.000 1.314 261 D CA -0.395 53.604 54.000 -0.001 0.000 0.835 261 D CB 0.148 40.978 40.800 0.049 0.000 1.080 261 D HN 0.232 nan 8.370 nan 0.000 0.482 262 F N -0.169 119.708 119.950 -0.121 0.000 2.451 262 F HA 0.187 4.714 4.527 -0.000 0.000 0.299 262 F C 1.517 177.291 175.800 -0.042 0.000 1.101 262 F CA 0.577 58.520 58.000 -0.095 0.000 1.436 262 F CB -0.227 38.722 39.000 -0.085 0.000 1.074 262 F HN -0.132 nan 8.300 nan 0.000 0.553 263 K N 0.400 120.353 120.400 -0.745 0.000 2.432 263 K HA -0.075 4.245 4.320 -0.000 0.000 0.196 263 K C 0.335 176.795 176.600 -0.233 0.000 1.038 263 K CA 0.221 56.158 56.287 -0.583 0.000 0.986 263 K CB -0.333 31.780 32.500 -0.645 0.000 0.782 263 K HN 0.149 nan 8.250 nan 0.000 0.485 264 N N 1.437 120.055 118.700 -0.137 0.000 2.411 264 N HA 0.049 4.789 4.740 -0.000 0.000 0.259 264 N C -2.185 173.334 175.510 0.014 0.000 1.103 264 N CA -2.034 50.991 53.050 -0.042 0.000 0.954 264 N CB 1.411 39.894 38.487 -0.007 0.000 1.085 264 N HN -0.190 nan 8.380 nan 0.000 0.485 265 P HA -0.039 nan 4.420 nan 0.000 0.221 265 P C -0.309 177.033 177.300 0.070 0.000 1.145 265 P CA 1.143 64.268 63.100 0.042 0.000 0.795 265 P CB 0.301 32.016 31.700 0.025 0.000 0.775 266 N N -1.440 117.298 118.700 0.065 0.000 2.480 266 N HA 0.053 4.793 4.740 -0.000 0.000 0.281 266 N C -0.321 175.247 175.510 0.097 0.000 1.381 266 N CA -0.007 53.085 53.050 0.070 0.000 0.903 266 N CB 0.129 38.639 38.487 0.039 0.000 1.274 266 N HN -0.059 nan 8.380 nan 0.000 0.505 267 S N 1.081 116.875 115.700 0.158 0.000 2.593 267 S HA -0.143 4.327 4.470 -0.000 0.000 0.300 267 S C 0.102 174.848 174.600 0.243 0.000 1.267 267 S CA -0.061 58.283 58.200 0.241 0.000 1.065 267 S CB 0.217 63.640 63.200 0.372 0.000 0.807 267 S HN 0.231 nan 8.310 nan 0.000 0.499 268 D N 3.992 124.488 120.400 0.161 0.000 2.348 268 D HA 0.136 4.775 4.640 -0.000 0.000 0.259 268 D C 1.152 177.367 176.300 -0.141 0.000 1.296 268 D CA 0.166 54.178 54.000 0.019 0.000 0.931 268 D CB 0.471 41.281 40.800 0.018 0.000 1.067 268 D HN 0.545 nan 8.370 nan 0.000 0.503 269 K N 1.257 121.355 120.400 -0.504 0.000 2.218 269 K HA -0.130 4.189 4.320 -0.000 0.000 0.205 269 K C 1.557 177.684 176.600 -0.788 0.000 1.046 269 K CA 0.954 56.430 56.287 -1.352 0.000 0.933 269 K CB 0.066 31.873 32.500 -1.154 0.000 0.728 269 K HN 0.310 nan 8.250 nan 0.000 0.454 270 S N 0.529 116.014 115.700 -0.358 0.000 2.515 270 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 270 S C 1.912 176.475 174.600 -0.061 0.000 0.987 270 S CA 1.427 59.523 58.200 -0.174 0.000 0.936 270 S CB 0.047 63.182 63.200 -0.109 0.000 0.766 270 S HN 0.469 nan 8.310 nan 0.000 0.528 271 K N -0.128 120.265 120.400 -0.011 0.000 2.358 271 K HA 0.172 4.492 4.320 -0.000 0.000 0.197 271 K C -0.154 176.624 176.600 0.296 0.000 1.025 271 K CA -0.295 56.066 56.287 0.123 0.000 1.104 271 K CB -0.294 32.280 32.500 0.123 0.000 0.855 271 K HN 0.291 nan 8.250 nan 0.000 0.531 272 W N 0.577 121.904 121.300 0.046 0.000 2.181 272 W HA 0.457 5.117 4.660 -0.001 0.000 0.335 272 W C 0.302 176.880 176.519 0.099 0.000 1.310 272 W CA -1.291 56.099 57.345 0.074 0.000 1.226 272 W CB -0.154 29.338 29.460 0.054 0.000 1.155 272 W HN 0.080 nan 8.180 nan 0.000 0.565 273 L N 3.016 124.459 121.223 0.366 0.000 2.322 273 L HA 0.367 4.706 4.340 -0.000 0.000 0.279 273 L C 1.143 178.235 176.870 0.370 0.000 1.036 273 L CA -0.897 54.116 54.840 0.288 0.000 0.807 273 L CB 0.958 43.138 42.059 0.201 0.000 1.226 273 L HN 0.435 nan 8.230 nan 0.000 0.433 274 T N -0.851 113.874 114.554 0.285 0.000 2.802 274 T HA 0.136 4.486 4.350 -0.000 0.000 0.305 274 T C 1.403 176.297 174.700 0.323 0.000 1.053 274 T CA -0.086 62.197 62.100 0.306 0.000 1.058 274 T CB 1.281 70.269 68.868 0.200 0.000 0.988 274 T HN 0.718 nan 8.240 nan 0.000 0.539 275 G N 1.457 110.455 108.800 0.329 0.000 2.553 275 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 275 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 275 G C -0.844 174.114 174.900 0.097 0.000 1.195 275 G CA 0.835 46.029 45.100 0.157 0.000 0.779 275 G HN 0.676 nan 8.290 nan 0.000 0.577 276 P HA -0.063 nan 4.420 nan 0.000 0.218 276 P C 1.930 179.295 177.300 0.108 0.000 1.148 276 P CA 1.205 64.372 63.100 0.111 0.000 0.822 276 P CB -0.032 31.723 31.700 0.091 0.000 0.784 277 Q N -1.083 118.774 119.800 0.096 0.000 2.046 277 Q HA -0.152 4.187 4.340 -0.000 0.000 0.200 277 Q C 2.067 178.061 176.000 -0.011 0.000 0.975 277 Q CA 1.058 56.900 55.803 0.065 0.000 0.836 277 Q CB -0.831 27.959 28.738 0.087 0.000 0.896 277 Q HN 0.178 nan 8.270 nan 0.000 0.428 278 L N 0.776 121.965 121.223 -0.057 0.000 2.046 278 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 278 L C 2.172 178.743 176.870 -0.497 0.000 1.077 278 L CA 1.988 56.629 54.840 -0.332 0.000 0.747 278 L CB -0.839 40.959 42.059 -0.434 0.000 0.896 278 L HN 0.120 nan 8.230 nan 0.000 0.432 279 A N -0.762 121.981 122.820 -0.129 0.000 1.948 279 A HA -0.255 4.064 4.320 -0.000 0.000 0.220 279 A C 1.973 179.566 177.584 0.014 0.000 1.177 279 A CA 2.028 54.068 52.037 0.005 0.000 0.636 279 A CB -0.856 18.354 19.000 0.348 0.000 0.815 279 A HN 0.540 nan 8.150 nan 0.000 0.449 280 D N -0.688 119.771 120.400 0.098 0.000 2.178 280 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 280 D C 1.810 178.158 176.300 0.079 0.000 0.974 280 D CA 1.120 55.227 54.000 0.178 0.000 0.841 280 D CB -0.340 40.538 40.800 0.130 0.000 0.953 280 D HN 0.391 nan 8.370 nan 0.000 0.478 281 L N -0.038 121.134 121.223 -0.084 0.000 2.017 281 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 281 L C 1.986 178.834 176.870 -0.037 0.000 1.073 281 L CA 1.626 56.396 54.840 -0.116 0.000 0.745 281 L CB -0.758 41.128 42.059 -0.288 0.000 0.894 281 L HN -0.020 nan 8.230 nan 0.000 0.432 282 Y N -0.136 120.107 120.300 -0.095 0.000 2.224 282 Y HA -0.241 4.308 4.550 -0.001 0.000 0.289 282 Y C 2.702 178.625 175.900 0.038 0.000 1.146 282 Y CA 1.707 59.747 58.100 -0.100 0.000 1.182 282 Y CB -1.282 37.014 38.460 -0.273 0.000 0.983 282 Y HN 0.437 nan 8.280 nan 0.000 0.524 283 H N -1.765 117.497 119.070 0.320 0.000 2.352 283 H HA -0.174 4.381 4.556 -0.001 0.000 0.299 283 H C 2.577 177.993 175.328 0.146 0.000 1.097 283 H CA 1.459 57.637 56.048 0.216 0.000 1.311 283 H CB -0.115 29.753 29.762 0.176 0.000 1.377 283 H HN 0.226 nan 8.280 nan 0.000 0.504 284 S N 0.330 116.175 115.700 0.242 0.000 2.353 284 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 284 S C 2.099 176.808 174.600 0.182 0.000 1.035 284 S CA 1.189 59.487 58.200 0.164 0.000 1.025 284 S CB -0.345 62.930 63.200 0.124 0.000 0.902 284 S HN 0.318 nan 8.310 nan 0.000 0.440 285 L N 0.735 122.101 121.223 0.239 0.000 2.042 285 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 285 L C 3.372 180.434 176.870 0.319 0.000 1.076 285 L CA 2.014 57.062 54.840 0.347 0.000 0.749 285 L CB -0.991 41.248 42.059 0.301 0.000 0.893 285 L HN 0.534 nan 8.230 nan 0.000 0.432 286 M N -0.822 118.922 119.600 0.239 0.000 2.159 286 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 286 M C 2.276 178.661 176.300 0.141 0.000 1.063 286 M CA 1.938 57.352 55.300 0.190 0.000 1.110 286 M CB -1.052 31.662 32.600 0.189 0.000 1.374 286 M HN 0.059 nan 8.290 nan 0.000 0.411 287 K N -0.431 120.039 120.400 0.117 0.000 2.228 287 K HA 0.041 4.361 4.320 -0.000 0.000 0.202 287 K C 2.077 178.667 176.600 -0.016 0.000 1.051 287 K CA 0.987 57.304 56.287 0.050 0.000 0.960 287 K CB -0.040 32.486 32.500 0.044 0.000 0.743 287 K HN 0.690 nan 8.250 nan 0.000 0.458 288 R N -0.892 119.567 120.500 -0.068 0.000 2.223 288 R HA 0.081 4.421 4.340 -0.000 0.000 0.198 288 R C 0.051 176.035 176.300 -0.527 0.000 0.984 288 R CA 0.410 56.307 56.100 -0.338 0.000 1.018 288 R CB 0.424 30.422 30.300 -0.503 0.000 0.945 288 R HN 0.023 nan 8.270 nan 0.000 0.479 289 Y N -0.107 120.230 120.300 0.063 0.000 2.545 289 Y HA 0.297 4.846 4.550 -0.001 0.000 0.348 289 Y C -2.041 173.895 175.900 0.059 0.000 1.002 289 Y CA -3.150 54.988 58.100 0.063 0.000 1.039 289 Y CB 1.329 39.838 38.460 0.081 0.000 1.271 289 Y HN -0.151 nan 8.280 nan 0.000 0.467 290 P HA 0.142 nan 4.420 nan 0.000 0.232 290 P C -0.480 176.898 177.300 0.130 0.000 1.738 290 P CA 0.538 63.719 63.100 0.134 0.000 0.948 290 P CB -0.610 31.153 31.700 0.105 0.000 1.943 291 I N 1.209 121.869 120.570 0.149 0.000 2.396 291 I HA 0.008 4.178 4.170 -0.000 0.000 0.289 291 I C 1.702 177.887 176.117 0.113 0.000 1.056 291 I CA -0.227 61.146 61.300 0.123 0.000 1.365 291 I CB 1.503 39.577 38.000 0.123 0.000 1.407 291 I HN -0.035 nan 8.210 nan 0.000 0.509 292 V N 1.559 121.553 119.914 0.133 0.000 3.477 292 V HA 0.337 4.456 4.120 -0.000 0.000 0.297 292 V C 0.341 176.572 176.094 0.229 0.000 1.433 292 V CA -0.021 62.396 62.300 0.194 0.000 1.052 292 V CB 0.385 32.379 31.823 0.285 0.000 0.895 292 V HN 0.660 nan 8.190 nan 0.000 0.438 293 S N 0.019 115.818 115.700 0.164 0.000 2.562 293 S HA 0.764 5.233 4.470 -0.000 0.000 0.274 293 S C -1.384 173.214 174.600 -0.003 0.000 1.160 293 S CA -0.512 57.748 58.200 0.101 0.000 0.933 293 S CB 1.719 64.985 63.200 0.111 0.000 1.100 293 S HN 0.340 nan 8.310 nan 0.000 0.468 294 I N 3.322 123.854 120.570 -0.063 0.000 2.466 294 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 294 I C -0.313 175.696 176.117 -0.180 0.000 1.026 294 I CA -0.543 60.651 61.300 -0.176 0.000 1.078 294 I CB 2.041 39.876 38.000 -0.276 0.000 1.249 294 I HN 0.674 nan 8.210 nan 0.000 0.429 295 E N 5.593 125.669 120.200 -0.207 0.000 2.183 295 E HA 0.203 4.553 4.350 -0.000 0.000 0.271 295 E C -0.926 175.551 176.600 -0.205 0.000 0.919 295 E CA -0.446 55.873 56.400 -0.136 0.000 0.781 295 E CB 1.096 30.738 29.700 -0.096 0.000 1.140 295 E HN 0.537 nan 8.360 nan 0.000 0.402 296 D N 4.084 124.435 120.400 -0.081 0.000 2.697 296 D HA -0.142 4.498 4.640 -0.000 0.000 0.235 296 D C -1.840 174.118 176.300 -0.569 0.000 1.167 296 D CA 0.529 54.451 54.000 -0.130 0.000 0.656 296 D CB -0.465 40.328 40.800 -0.011 0.000 1.025 296 D HN 0.457 nan 8.370 nan 0.000 0.419 297 P HA -0.092 nan 4.420 nan 0.000 0.223 297 P C 0.325 176.606 177.300 -1.698 0.000 1.151 297 P CA 1.025 63.281 63.100 -1.406 0.000 0.787 297 P CB 0.262 30.919 31.700 -1.738 0.000 0.788 298 F N -0.737 118.577 119.950 -1.060 0.000 2.631 298 F HA 0.630 5.157 4.527 -0.000 0.000 0.328 298 F C 0.786 176.457 175.800 -0.214 0.000 1.067 298 F CA -1.558 56.005 58.000 -0.728 0.000 0.969 298 F CB 0.383 38.859 39.000 -0.874 0.000 1.332 298 F HN -0.223 nan 8.300 nan 0.000 0.490 299 A N 0.228 123.085 122.820 0.063 0.000 2.327 299 A HA 0.253 4.572 4.320 -0.000 0.000 0.255 299 A C 1.023 178.608 177.584 0.001 0.000 1.099 299 A CA -0.241 51.708 52.037 -0.146 0.000 0.801 299 A CB 0.009 18.571 19.000 -0.729 0.000 1.062 299 A HN 0.931 nan 8.150 nan 0.000 0.496 300 E N -0.197 119.936 120.200 -0.112 0.000 2.265 300 E HA -0.132 4.217 4.350 -0.000 0.000 0.196 300 E C -0.184 176.202 176.600 -0.357 0.000 0.996 300 E CA 1.382 57.681 56.400 -0.169 0.000 0.832 300 E CB 0.071 29.715 29.700 -0.093 0.000 0.756 300 E HN 0.609 nan 8.360 nan 0.000 0.491 301 D N 0.033 120.251 120.400 -0.304 0.000 2.540 301 D HA -0.008 4.632 4.640 -0.000 0.000 0.229 301 D C -0.297 175.823 176.300 -0.300 0.000 1.250 301 D CA 0.043 53.832 54.000 -0.352 0.000 0.817 301 D CB 0.436 41.246 40.800 0.017 0.000 1.060 301 D HN -0.051 nan 8.370 nan 0.000 0.508 302 D N -0.015 120.230 120.400 -0.260 0.000 2.994 302 D HA 0.029 4.669 4.640 -0.000 0.000 0.240 302 D C 1.000 177.370 176.300 0.116 0.000 1.195 302 D CA -0.401 53.565 54.000 -0.057 0.000 0.957 302 D CB -0.339 40.376 40.800 -0.142 0.000 1.105 302 D HN 0.117 nan 8.370 nan 0.000 0.477 303 W N 0.916 122.266 121.300 0.082 0.000 2.318 303 W HA -0.217 4.443 4.660 -0.000 0.000 0.313 303 W C 2.607 179.142 176.519 0.025 0.000 1.221 303 W CA 1.692 59.058 57.345 0.034 0.000 1.266 303 W CB -0.495 28.939 29.460 -0.043 0.000 1.150 303 W HN 0.351 nan 8.180 nan 0.000 0.496 304 E N 0.490 120.797 120.200 0.179 0.000 2.153 304 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 304 E C 1.908 178.348 176.600 -0.267 0.000 0.988 304 E CA 1.879 58.212 56.400 -0.112 0.000 0.811 304 E CB -1.096 28.579 29.700 -0.043 0.000 0.746 304 E HN 0.345 nan 8.360 nan 0.000 0.466 305 A N -0.246 122.512 122.820 -0.104 0.000 1.877 305 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 305 A C 2.194 179.496 177.584 -0.469 0.000 1.186 305 A CA 1.516 53.314 52.037 -0.397 0.000 0.620 305 A CB -0.789 17.854 19.000 -0.594 0.000 0.822 305 A HN 0.684 nan 8.150 nan 0.000 0.443 306 W N 0.585 121.735 121.300 -0.249 0.000 2.354 306 W HA -0.127 4.532 4.660 -0.000 0.000 0.315 306 W C 2.898 179.497 176.519 0.133 0.000 1.206 306 W CA 1.829 59.198 57.345 0.041 0.000 1.290 306 W CB -0.703 28.803 29.460 0.076 0.000 1.152 306 W HN 0.265 nan 8.180 nan 0.000 0.489 307 S N -1.081 114.796 115.700 0.295 0.000 2.368 307 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 307 S C 1.310 176.047 174.600 0.229 0.000 1.030 307 S CA 1.752 60.081 58.200 0.215 0.000 0.999 307 S CB -0.804 62.439 63.200 0.071 0.000 0.844 307 S HN 0.447 nan 8.310 nan 0.000 0.459 308 H N -0.833 118.346 119.070 0.181 0.000 2.357 308 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 308 H C 1.969 177.414 175.328 0.194 0.000 1.082 308 H CA 1.471 57.604 56.048 0.142 0.000 1.342 308 H CB -0.159 29.649 29.762 0.076 0.000 1.389 308 H HN 0.378 nan 8.280 nan 0.000 0.511 309 F N 0.718 120.758 119.950 0.150 0.000 2.163 309 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 309 F C 2.129 178.051 175.800 0.202 0.000 1.094 309 F CA 0.726 58.827 58.000 0.168 0.000 1.290 309 F CB -0.495 38.621 39.000 0.194 0.000 1.017 309 F HN 0.047 nan 8.300 nan 0.000 0.483 310 F N 1.699 121.711 119.950 0.102 0.000 2.095 310 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 310 F C 2.299 178.040 175.800 -0.098 0.000 1.104 310 F CA 2.115 60.096 58.000 -0.032 0.000 1.232 310 F CB -0.712 38.351 39.000 0.105 0.000 0.987 310 F HN -0.132 nan 8.300 nan 0.000 0.475 311 K N -0.879 119.503 120.400 -0.031 0.000 2.189 311 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 311 K C 1.839 178.305 176.600 -0.223 0.000 1.046 311 K CA 2.087 58.319 56.287 -0.093 0.000 0.928 311 K CB -0.588 31.948 32.500 0.060 0.000 0.720 311 K HN 0.548 nan 8.250 nan 0.000 0.458 312 T N -3.511 110.895 114.554 -0.246 0.000 3.023 312 T HA 0.315 4.665 4.350 -0.000 0.000 0.253 312 T C 1.756 176.312 174.700 -0.239 0.000 1.038 312 T CA 0.257 62.250 62.100 -0.178 0.000 0.962 312 T CB 0.512 69.390 68.868 0.016 0.000 1.018 312 T HN 0.114 nan 8.240 nan 0.000 0.521 313 A N 1.813 124.313 122.820 -0.534 0.000 1.854 313 A HA 0.494 4.813 4.320 -0.000 0.000 0.214 313 A C 2.352 179.756 177.584 -0.301 0.000 1.192 313 A CA 1.224 52.926 52.037 -0.558 0.000 0.611 313 A CB -1.442 17.078 19.000 -0.798 0.000 0.832 313 A HN 1.469 nan 8.150 nan 0.000 0.442 314 G N -0.959 107.624 108.800 -0.361 0.000 2.168 314 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 314 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 314 G C 0.232 175.018 174.900 -0.190 0.000 0.997 314 G CA 0.877 45.830 45.100 -0.245 0.000 0.708 314 G HN 1.608 nan 8.290 nan 0.000 0.520 315 I N -4.470 115.975 120.570 -0.209 0.000 3.191 315 I HA 0.680 4.850 4.170 -0.000 0.000 0.313 315 I C 0.073 176.094 176.117 -0.159 0.000 1.193 315 I CA -1.590 59.627 61.300 -0.138 0.000 0.968 315 I CB 1.530 39.507 38.000 -0.038 0.000 1.262 315 I HN 0.051 nan 8.210 nan 0.000 0.456 316 Q N 2.597 122.313 119.800 -0.139 0.000 2.269 316 Q HA 0.151 4.490 4.340 -0.000 0.000 0.300 316 Q C -1.286 174.715 176.000 0.002 0.000 1.070 316 Q CA 0.250 55.989 55.803 -0.106 0.000 0.957 316 Q CB 0.515 29.249 28.738 -0.007 0.000 1.131 316 Q HN 0.480 nan 8.270 nan 0.000 0.377 317 I N 5.518 126.130 120.570 0.070 0.000 2.362 317 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 317 I C -0.425 175.719 176.117 0.045 0.000 0.994 317 I CA -0.655 60.715 61.300 0.116 0.000 1.158 317 I CB 1.387 39.585 38.000 0.331 0.000 1.315 317 I HN 0.413 nan 8.210 nan 0.000 0.451 318 V N 5.276 125.219 119.914 0.049 0.000 2.483 318 V HA 0.717 4.836 4.120 -0.000 0.000 0.295 318 V C 0.391 176.576 176.094 0.152 0.000 1.035 318 V CA -0.764 61.551 62.300 0.024 0.000 0.896 318 V CB 1.727 33.531 31.823 -0.032 0.000 0.986 318 V HN 0.850 nan 8.190 nan 0.000 0.447 319 A N 2.554 125.424 122.820 0.082 0.000 2.271 319 A HA 0.664 4.984 4.320 -0.000 0.000 0.317 319 A C 0.077 177.681 177.584 0.034 0.000 1.245 319 A CA -0.264 51.802 52.037 0.048 0.000 0.857 319 A CB 1.046 19.971 19.000 -0.125 0.000 1.175 319 A HN 0.892 nan 8.150 nan 0.000 0.512 320 D N 1.583 122.010 120.400 0.045 0.000 3.061 320 D HA 0.051 4.691 4.640 -0.000 0.000 0.243 320 D C 1.533 177.825 176.300 -0.014 0.000 1.572 320 D CA 0.359 54.370 54.000 0.019 0.000 1.269 320 D CB 0.158 40.974 40.800 0.027 0.000 1.023 320 D HN 0.277 nan 8.370 nan 0.000 0.280 321 R N 0.014 120.509 120.500 -0.009 0.000 2.189 321 R HA 0.124 4.463 4.340 -0.000 0.000 0.223 321 R C 2.145 178.388 176.300 -0.094 0.000 1.092 321 R CA 0.446 56.525 56.100 -0.034 0.000 0.989 321 R CB -0.809 29.473 30.300 -0.030 0.000 0.876 321 R HN 0.296 nan 8.270 nan 0.000 0.457 322 L N -0.262 120.829 121.223 -0.221 0.000 2.093 322 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 322 L C 1.523 178.196 176.870 -0.328 0.000 1.085 322 L CA 2.158 56.691 54.840 -0.512 0.000 0.755 322 L CB -0.251 41.129 42.059 -1.133 0.000 0.904 322 L HN 0.342 nan 8.230 nan 0.000 0.435 323 T N -4.560 109.888 114.554 -0.177 0.000 2.969 323 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 323 T C 0.949 175.631 174.700 -0.029 0.000 1.021 323 T CA 0.393 62.452 62.100 -0.068 0.000 1.003 323 T CB -0.372 68.491 68.868 -0.009 0.000 1.040 323 T HN 0.494 nan 8.240 nan 0.000 0.492 324 V N 0.710 120.613 119.914 -0.019 0.000 5.043 324 V HA -0.275 3.844 4.120 -0.000 0.000 0.267 324 V C 0.435 176.527 176.094 -0.003 0.000 0.597 324 V CA 0.889 63.190 62.300 0.002 0.000 0.703 324 V CB -3.526 28.316 31.823 0.031 0.000 0.558 324 V HN 0.752 nan 8.190 nan 0.000 1.038 325 T N -1.359 113.190 114.554 -0.008 0.000 4.040 325 T HA -0.259 4.091 4.350 -0.000 0.000 0.341 325 T C 0.210 174.892 174.700 -0.029 0.000 0.758 325 T CA 1.550 63.640 62.100 -0.016 0.000 1.893 325 T CB -1.581 67.284 68.868 -0.005 0.000 1.886 325 T HN 1.383 nan 8.240 nan 0.000 0.833 326 N N 0.683 119.361 118.700 -0.036 0.000 2.479 326 N HA 0.332 5.072 4.740 -0.000 0.000 0.261 326 N C -1.881 173.587 175.510 -0.070 0.000 0.979 326 N CA -2.376 50.647 53.050 -0.044 0.000 0.930 326 N CB 2.121 40.589 38.487 -0.032 0.000 1.172 326 N HN -0.091 nan 8.380 nan 0.000 0.499 327 P HA -0.133 nan 4.420 nan 0.000 0.217 327 P C 0.780 178.011 177.300 -0.114 0.000 1.148 327 P CA 1.499 64.533 63.100 -0.110 0.000 0.828 327 P CB 0.476 32.118 31.700 -0.095 0.000 0.783 328 K N -0.763 119.581 120.400 -0.093 0.000 2.097 328 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 328 K C 2.176 178.715 176.600 -0.102 0.000 1.050 328 K CA 1.022 57.251 56.287 -0.098 0.000 0.938 328 K CB -0.148 32.302 32.500 -0.083 0.000 0.718 328 K HN 0.068 nan 8.250 nan 0.000 0.442 329 R N 0.617 121.074 120.500 -0.072 0.000 2.093 329 R HA 0.034 4.373 4.340 -0.000 0.000 0.224 329 R C 2.268 178.568 176.300 0.000 0.000 1.101 329 R CA 0.847 56.943 56.100 -0.007 0.000 0.979 329 R CB -0.413 29.894 30.300 0.010 0.000 0.877 329 R HN 0.249 nan 8.270 nan 0.000 0.441 330 I N 1.065 121.584 120.570 -0.084 0.000 2.226 330 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 330 I C 2.601 178.558 176.117 -0.267 0.000 1.100 330 I CA 1.280 62.465 61.300 -0.191 0.000 1.374 330 I CB -0.472 37.362 38.000 -0.277 0.000 1.057 330 I HN 0.077 nan 8.210 nan 0.000 0.413 331 A N 0.503 123.191 122.820 -0.221 0.000 1.908 331 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 331 A C 2.395 179.854 177.584 -0.209 0.000 1.181 331 A CA 2.592 54.498 52.037 -0.218 0.000 0.627 331 A CB -1.141 17.753 19.000 -0.176 0.000 0.818 331 A HN 0.393 nan 8.150 nan 0.000 0.445 332 T N 0.339 114.760 114.554 -0.222 0.000 2.674 332 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 332 T C 2.267 176.800 174.700 -0.279 0.000 1.039 332 T CA 1.785 63.673 62.100 -0.354 0.000 1.150 332 T CB -0.591 67.933 68.868 -0.573 0.000 0.864 332 T HN 0.628 nan 8.240 nan 0.000 0.427 333 A N 1.044 123.847 122.820 -0.028 0.000 1.917 333 A HA -0.085 4.234 4.320 -0.000 0.000 0.219 333 A C 2.308 180.022 177.584 0.216 0.000 1.182 333 A CA 1.437 53.629 52.037 0.259 0.000 0.633 333 A CB -0.890 18.374 19.000 0.441 0.000 0.819 333 A HN 0.542 nan 8.150 nan 0.000 0.448 334 I N -0.738 119.833 120.570 0.001 0.000 2.252 334 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 334 I C 2.658 178.782 176.117 0.011 0.000 1.102 334 I CA 1.590 62.878 61.300 -0.020 0.000 1.385 334 I CB -0.240 37.567 38.000 -0.323 0.000 1.064 334 I HN 0.454 nan 8.210 nan 0.000 0.414 335 E N 1.772 121.933 120.200 -0.065 0.000 2.072 335 E HA -0.214 4.135 4.350 -0.000 0.000 0.191 335 E C 1.774 178.351 176.600 -0.038 0.000 0.985 335 E CA 1.317 57.676 56.400 -0.068 0.000 0.801 335 E CB 0.090 29.714 29.700 -0.126 0.000 0.750 335 E HN 0.443 nan 8.360 nan 0.000 0.452 336 K N 0.503 120.875 120.400 -0.046 0.000 2.487 336 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 336 K C 0.127 176.774 176.600 0.078 0.000 1.027 336 K CA 0.006 56.288 56.287 -0.007 0.000 1.054 336 K CB 0.186 32.658 32.500 -0.046 0.000 0.824 336 K HN 0.035 nan 8.250 nan 0.000 0.510 337 K N -0.431 120.020 120.400 0.084 0.000 3.148 337 K HA -0.237 4.083 4.320 -0.000 0.000 0.267 337 K C 0.531 177.114 176.600 -0.029 0.000 0.996 337 K CA 0.245 56.562 56.287 0.051 0.000 0.737 337 K CB -1.288 31.291 32.500 0.132 0.000 1.308 337 K HN 0.356 nan 8.250 nan 0.000 0.470 338 A N -0.230 122.609 122.820 0.031 0.000 2.030 338 A HA 0.450 4.770 4.320 -0.000 0.000 0.215 338 A C 0.823 178.428 177.584 0.036 0.000 1.164 338 A CA 1.340 53.475 52.037 0.163 0.000 0.697 338 A CB 0.294 19.445 19.000 0.253 0.000 0.827 338 A HN 0.641 nan 8.150 nan 0.000 0.457 339 A N -0.626 121.898 122.820 -0.494 0.000 2.515 339 A HA 0.570 4.889 4.320 -0.000 0.000 0.299 339 A C -1.308 175.357 177.584 -1.532 0.000 1.179 339 A CA 0.233 51.818 52.037 -0.754 0.000 0.656 339 A CB 0.418 19.200 19.000 -0.363 0.000 1.306 339 A HN 0.260 nan 8.150 nan 0.000 0.459 340 D N -1.373 118.347 120.400 -1.135 0.000 2.636 340 D HA 0.554 5.193 4.640 -0.000 0.000 0.270 340 D C -0.278 175.580 176.300 -0.736 0.000 1.430 340 D CA 0.679 53.943 54.000 -1.226 0.000 0.796 340 D CB 0.498 41.186 40.800 -0.186 0.000 1.117 340 D HN 1.224 nan 8.370 nan 0.000 0.480 341 A N 0.079 122.454 122.820 -0.742 0.000 2.566 341 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 341 A C -1.944 175.638 177.584 -0.002 0.000 1.059 341 A CA -0.948 51.016 52.037 -0.121 0.000 0.691 341 A CB 1.402 20.419 19.000 0.029 0.000 1.282 341 A HN 0.198 nan 8.150 nan 0.000 0.401 342 L N 1.657 123.018 121.223 0.231 0.000 2.309 342 L HA 0.770 5.110 4.340 -0.000 0.000 0.282 342 L C -0.931 175.980 176.870 0.069 0.000 1.036 342 L CA -0.606 54.356 54.840 0.204 0.000 0.806 342 L CB 1.326 43.490 42.059 0.175 0.000 1.220 342 L HN 0.683 nan 8.230 nan 0.000 0.429 343 L N 5.779 127.029 121.223 0.046 0.000 2.261 343 L HA 0.423 4.763 4.340 -0.000 0.000 0.289 343 L C -0.771 176.114 176.870 0.025 0.000 1.059 343 L CA 0.146 54.998 54.840 0.020 0.000 0.816 343 L CB 0.848 42.916 42.059 0.014 0.000 1.191 343 L HN 0.713 nan 8.230 nan 0.000 0.431 344 L N 6.149 127.386 121.223 0.024 0.000 2.255 344 L HA 0.431 4.770 4.340 -0.000 0.000 0.289 344 L C -0.670 176.227 176.870 0.046 0.000 1.046 344 L CA -0.292 54.562 54.840 0.024 0.000 0.816 344 L CB 0.108 42.175 42.059 0.013 0.000 1.197 344 L HN 0.618 nan 8.230 nan 0.000 0.427 345 K N 4.351 124.774 120.400 0.038 0.000 2.507 345 K HA 0.179 4.498 4.320 -0.000 0.000 0.253 345 K C 0.937 177.557 176.600 0.033 0.000 0.969 345 K CA -0.438 55.876 56.287 0.046 0.000 0.908 345 K CB 1.894 34.413 32.500 0.033 0.000 1.127 345 K HN 0.589 nan 8.250 nan 0.000 0.437 346 V N 0.364 120.307 119.914 0.048 0.000 2.380 346 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 346 V C 1.663 177.753 176.094 -0.005 0.000 1.063 346 V CA 2.049 64.365 62.300 0.027 0.000 1.055 346 V CB -0.533 31.309 31.823 0.032 0.000 0.657 346 V HN 0.871 nan 8.190 nan 0.000 0.455 347 N N 0.217 118.912 118.700 -0.009 0.000 2.467 347 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 347 N C 1.718 177.217 175.510 -0.019 0.000 1.106 347 N CA 1.176 54.211 53.050 -0.025 0.000 0.892 347 N CB -0.261 38.205 38.487 -0.034 0.000 0.969 347 N HN 0.701 nan 8.380 nan 0.000 0.454 348 Q N -0.367 119.428 119.800 -0.009 0.000 2.224 348 Q HA -0.007 4.333 4.340 -0.000 0.000 0.203 348 Q C 1.193 177.190 176.000 -0.006 0.000 0.970 348 Q CA 0.983 56.782 55.803 -0.006 0.000 0.865 348 Q CB 0.138 28.876 28.738 0.001 0.000 0.922 348 Q HN 0.340 nan 8.270 nan 0.000 0.445 349 I N -2.168 118.397 120.570 -0.009 0.000 3.883 349 I HA 0.198 4.367 4.170 -0.000 0.000 0.305 349 I C 1.127 177.234 176.117 -0.016 0.000 1.247 349 I CA 1.261 62.554 61.300 -0.012 0.000 1.350 349 I CB 0.904 38.896 38.000 -0.013 0.000 1.194 349 I HN 0.205 nan 8.210 nan 0.000 0.441 350 G N 0.506 109.293 108.800 -0.022 0.000 2.195 350 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.224 350 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.224 350 G C 0.509 175.390 174.900 -0.032 0.000 0.990 350 G CA 0.416 45.498 45.100 -0.030 0.000 0.639 350 G HN 0.768 nan 8.290 nan 0.000 0.514 351 T N -2.631 111.909 114.554 -0.023 0.000 2.900 351 T HA 0.650 5.000 4.350 -0.000 0.000 0.303 351 T C 0.898 175.592 174.700 -0.010 0.000 1.142 351 T CA 0.042 62.132 62.100 -0.017 0.000 1.007 351 T CB 1.972 70.843 68.868 0.005 0.000 1.156 351 T HN 0.951 nan 8.240 nan 0.000 0.490 352 L N 1.961 123.180 121.223 -0.007 0.000 2.056 352 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 352 L C 2.537 179.433 176.870 0.043 0.000 1.078 352 L CA 1.969 56.828 54.840 0.032 0.000 0.749 352 L CB -1.225 40.867 42.059 0.054 0.000 0.901 352 L HN 0.849 nan 8.230 nan 0.000 0.433 353 S N -0.327 115.393 115.700 0.033 0.000 2.359 353 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 353 S C 1.795 176.401 174.600 0.010 0.000 1.035 353 S CA 1.662 59.877 58.200 0.025 0.000 1.018 353 S CB -0.307 62.909 63.200 0.027 0.000 0.876 353 S HN 0.566 nan 8.310 nan 0.000 0.448 354 E N 0.821 121.023 120.200 0.003 0.000 2.106 354 E HA -0.065 4.284 4.350 -0.000 0.000 0.192 354 E C 2.264 178.855 176.600 -0.015 0.000 0.984 354 E CA 1.186 57.579 56.400 -0.011 0.000 0.806 354 E CB -0.105 29.587 29.700 -0.013 0.000 0.750 354 E HN 0.345 nan 8.360 nan 0.000 0.458 355 S N 0.813 116.513 115.700 0.001 0.000 2.368 355 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 355 S C 2.029 176.628 174.600 -0.002 0.000 1.029 355 S CA 0.742 58.945 58.200 0.005 0.000 0.988 355 S CB -0.129 63.094 63.200 0.038 0.000 0.838 355 S HN 0.187 nan 8.310 nan 0.000 0.462 356 I N 1.280 121.859 120.570 0.014 0.000 2.226 356 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 356 I C 2.487 178.591 176.117 -0.023 0.000 1.100 356 I CA 1.154 62.459 61.300 0.010 0.000 1.374 356 I CB -0.190 37.826 38.000 0.026 0.000 1.057 356 I HN 0.160 nan 8.210 nan 0.000 0.413 357 K N 1.449 121.831 120.400 -0.029 0.000 2.057 357 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 357 K C 2.069 178.615 176.600 -0.089 0.000 1.049 357 K CA 1.672 57.930 56.287 -0.049 0.000 0.931 357 K CB -0.402 32.071 32.500 -0.044 0.000 0.714 357 K HN 0.282 nan 8.250 nan 0.000 0.440 358 A N 0.582 123.346 122.820 -0.092 0.000 1.883 358 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 358 A C 2.395 179.860 177.584 -0.198 0.000 1.186 358 A CA 2.310 54.269 52.037 -0.131 0.000 0.624 358 A CB -1.215 17.728 19.000 -0.095 0.000 0.822 358 A HN 0.448 nan 8.150 nan 0.000 0.444 359 A N -0.926 121.771 122.820 -0.205 0.000 1.902 359 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 359 A C 2.138 179.446 177.584 -0.460 0.000 1.181 359 A CA 1.710 53.504 52.037 -0.404 0.000 0.623 359 A CB -0.591 18.235 19.000 -0.289 0.000 0.818 359 A HN 0.668 nan 8.150 nan 0.000 0.443 360 Q N -0.400 119.303 119.800 -0.161 0.000 2.050 360 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 360 Q C 1.535 177.493 176.000 -0.070 0.000 0.980 360 Q CA 1.489 57.281 55.803 -0.019 0.000 0.840 360 Q CB -0.263 28.484 28.738 0.015 0.000 0.898 360 Q HN 0.584 nan 8.270 nan 0.000 0.424 361 D N -0.008 120.305 120.400 -0.145 0.000 2.182 361 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 361 D C 1.923 178.050 176.300 -0.289 0.000 0.986 361 D CA 1.087 54.970 54.000 -0.195 0.000 0.847 361 D CB -0.120 40.547 40.800 -0.222 0.000 0.942 361 D HN 0.070 nan 8.370 nan 0.000 0.467 362 S N 0.195 115.688 115.700 -0.346 0.000 2.345 362 S HA -0.083 4.386 4.470 -0.000 0.000 0.219 362 S C 1.758 176.295 174.600 -0.105 0.000 1.031 362 S CA 0.462 58.434 58.200 -0.380 0.000 0.984 362 S CB -0.353 62.666 63.200 -0.302 0.000 0.874 362 S HN 0.140 nan 8.310 nan 0.000 0.451 363 F N 2.228 122.173 119.950 -0.009 0.000 2.154 363 F HA -0.086 4.441 4.527 -0.001 0.000 0.301 363 F C 2.596 178.391 175.800 -0.010 0.000 1.087 363 F CA 0.277 58.288 58.000 0.020 0.000 1.274 363 F CB -1.321 37.681 39.000 0.004 0.000 1.009 363 F HN 0.191 nan 8.300 nan 0.000 0.485 364 A N -0.278 122.613 122.820 0.120 0.000 1.972 364 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 364 A C 2.258 179.846 177.584 0.007 0.000 1.169 364 A CA 1.583 53.641 52.037 0.034 0.000 0.635 364 A CB -1.058 17.928 19.000 -0.024 0.000 0.810 364 A HN 0.265 nan 8.150 nan 0.000 0.446 365 A N -1.973 120.824 122.820 -0.039 0.000 2.275 365 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 365 A C 1.673 179.363 177.584 0.177 0.000 1.201 365 A CA 1.064 53.084 52.037 -0.029 0.000 0.843 365 A CB -0.856 17.979 19.000 -0.276 0.000 0.873 365 A HN 1.848 nan 8.150 nan 0.000 0.492 366 G N -2.354 106.580 108.800 0.222 0.000 2.143 366 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.249 366 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.249 366 G C -0.106 175.110 174.900 0.527 0.000 0.981 366 G CA 0.191 45.481 45.100 0.317 0.000 0.665 366 G HN 0.361 nan 8.290 nan 0.000 0.528 367 W N 0.538 121.938 121.300 0.166 0.000 2.161 367 W HA 0.614 5.274 4.660 -0.000 0.000 0.344 367 W C 1.119 177.673 176.519 0.059 0.000 1.262 367 W CA 0.190 57.605 57.345 0.116 0.000 1.270 367 W CB 0.312 29.790 29.460 0.031 0.000 1.126 367 W HN 0.425 nan 8.180 nan 0.000 0.598 368 G N -0.005 108.843 108.800 0.080 0.000 2.547 368 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 368 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 368 G C -1.588 173.409 174.900 0.163 0.000 1.211 368 G CA -0.632 44.489 45.100 0.035 0.000 0.950 368 G HN 0.272 nan 8.290 nan 0.000 0.504 369 V N 0.938 120.957 119.914 0.176 0.000 2.525 369 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 369 V C -0.221 175.928 176.094 0.091 0.000 1.034 369 V CA -0.499 61.831 62.300 0.049 0.000 0.863 369 V CB 1.697 33.418 31.823 -0.170 0.000 0.999 369 V HN 0.789 nan 8.190 nan 0.000 0.423 370 M N 5.576 125.197 119.600 0.035 0.000 2.047 370 M HA 0.518 4.998 4.480 -0.000 0.000 0.342 370 M C -0.924 175.384 176.300 0.012 0.000 1.058 370 M CA -0.441 54.858 55.300 -0.002 0.000 0.991 370 M CB 1.224 33.747 32.600 -0.128 0.000 1.474 370 M HN 0.496 nan 8.290 nan 0.000 0.419 371 V N 3.582 123.521 119.914 0.042 0.000 2.715 371 V HA 0.273 4.392 4.120 -0.000 0.000 0.299 371 V C 0.201 176.325 176.094 0.050 0.000 1.054 371 V CA 0.131 62.463 62.300 0.053 0.000 1.077 371 V CB 1.406 33.268 31.823 0.065 0.000 0.972 371 V HN 0.900 nan 8.190 nan 0.000 0.484 372 S N 2.148 117.895 115.700 0.079 0.000 2.540 372 S HA 0.523 4.992 4.470 -0.000 0.000 0.275 372 S C -0.568 174.153 174.600 0.202 0.000 1.123 372 S CA -0.914 57.358 58.200 0.120 0.000 0.907 372 S CB 0.997 64.272 63.200 0.125 0.000 1.081 372 S HN 1.023 nan 8.310 nan 0.000 0.476 373 H N 2.379 121.476 119.070 0.046 0.000 2.598 373 H HA 0.621 5.177 4.556 -0.000 0.000 0.371 373 H C -0.145 175.202 175.328 0.031 0.000 1.468 373 H CA -0.311 55.763 56.048 0.044 0.000 1.454 373 H CB 0.090 29.878 29.762 0.044 0.000 1.579 373 H HN 0.424 nan 8.280 nan 0.000 0.611 374 R N -0.506 119.957 120.500 -0.062 0.000 2.758 374 R HA 0.184 4.523 4.340 -0.000 0.000 0.265 374 R C 1.515 177.571 176.300 -0.408 0.000 1.016 374 R CA -0.141 55.835 56.100 -0.207 0.000 1.040 374 R CB 0.966 31.213 30.300 -0.088 0.000 1.152 374 R HN 0.898 nan 8.270 nan 0.000 0.503 375 S N -0.414 115.101 115.700 -0.309 0.000 2.399 375 S HA -0.056 4.413 4.470 -0.000 0.000 0.231 375 S C 1.095 175.612 174.600 -0.139 0.000 1.022 375 S CA 0.769 58.823 58.200 -0.243 0.000 0.983 375 S CB -0.157 62.966 63.200 -0.129 0.000 0.803 375 S HN 0.677 nan 8.310 nan 0.000 0.480 376 G N 1.996 110.734 108.800 -0.104 0.000 2.475 376 G HA2 0.510 4.469 3.960 -0.000 0.000 0.322 376 G HA3 0.510 4.469 3.960 -0.000 0.000 0.322 376 G C -0.372 174.499 174.900 -0.049 0.000 1.044 376 G CA -0.439 44.623 45.100 -0.063 0.000 1.047 376 G HN 0.156 nan 8.290 nan 0.000 0.436 377 E N 0.431 120.619 120.200 -0.021 0.000 2.303 377 E HA 0.678 5.028 4.350 -0.000 0.000 0.254 377 E C 0.457 177.073 176.600 0.026 0.000 0.979 377 E CA -0.385 56.024 56.400 0.015 0.000 0.843 377 E CB 2.124 31.858 29.700 0.057 0.000 1.245 377 E HN 0.565 nan 8.360 nan 0.000 0.413 378 T N -2.992 111.586 114.554 0.041 0.000 2.716 378 T HA 0.199 4.549 4.350 -0.000 0.000 0.286 378 T C 0.756 175.489 174.700 0.055 0.000 1.052 378 T CA -0.641 61.485 62.100 0.042 0.000 1.024 378 T CB 0.904 69.789 68.868 0.029 0.000 1.349 378 T HN 0.405 nan 8.240 nan 0.000 0.525 379 E N 0.383 120.615 120.200 0.053 0.000 2.515 379 E HA -0.087 4.263 4.350 -0.000 0.000 0.201 379 E C 0.188 176.827 176.600 0.066 0.000 1.071 379 E CA 0.182 56.616 56.400 0.056 0.000 0.880 379 E CB -0.374 29.356 29.700 0.051 0.000 0.828 379 E HN 0.729 nan 8.360 nan 0.000 0.540 380 D N 1.977 122.420 120.400 0.071 0.000 2.455 380 D HA -0.034 4.606 4.640 -0.000 0.000 0.241 380 D C 0.310 176.679 176.300 0.115 0.000 1.138 380 D CA 0.878 54.934 54.000 0.094 0.000 0.877 380 D CB 1.039 41.892 40.800 0.088 0.000 1.187 380 D HN 0.144 nan 8.370 nan 0.000 0.451 381 T N 1.033 115.667 114.554 0.133 0.000 3.182 381 T HA 0.025 4.375 4.350 -0.000 0.000 0.277 381 T C 1.550 176.331 174.700 0.136 0.000 1.013 381 T CA -0.586 61.582 62.100 0.113 0.000 0.900 381 T CB -0.432 68.481 68.868 0.074 0.000 1.098 381 T HN 0.381 nan 8.240 nan 0.000 0.543 382 F N 3.473 123.453 119.950 0.050 0.000 2.085 382 F HA -0.164 4.362 4.527 -0.000 0.000 0.299 382 F C 1.835 177.666 175.800 0.052 0.000 1.096 382 F CA 2.105 60.136 58.000 0.053 0.000 1.227 382 F CB -0.285 38.744 39.000 0.048 0.000 0.983 382 F HN 0.379 nan 8.300 nan 0.000 0.482 383 I N -1.369 119.298 120.570 0.163 0.000 2.614 383 I HA -0.062 4.107 4.170 -0.000 0.000 0.258 383 I C 2.209 178.302 176.117 -0.040 0.000 1.189 383 I CA 1.240 62.582 61.300 0.069 0.000 1.462 383 I CB -1.150 36.937 38.000 0.146 0.000 1.092 383 I HN 0.140 nan 8.210 nan 0.000 0.442 384 A N 1.965 124.756 122.820 -0.048 0.000 1.873 384 A HA -0.202 4.117 4.320 -0.000 0.000 0.215 384 A C 1.794 179.300 177.584 -0.130 0.000 1.186 384 A CA 2.189 54.176 52.037 -0.083 0.000 0.616 384 A CB -0.892 18.066 19.000 -0.069 0.000 0.823 384 A HN 0.500 nan 8.150 nan 0.000 0.442 385 D N -0.653 119.649 120.400 -0.163 0.000 2.144 385 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 385 D C 1.756 177.936 176.300 -0.201 0.000 0.978 385 D CA 0.989 54.899 54.000 -0.150 0.000 0.833 385 D CB -0.129 40.575 40.800 -0.160 0.000 0.961 385 D HN 0.316 nan 8.370 nan 0.000 0.470 386 L N 0.348 121.358 121.223 -0.355 0.000 2.017 386 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 386 L C 2.141 178.979 176.870 -0.053 0.000 1.073 386 L CA 1.331 56.028 54.840 -0.240 0.000 0.745 386 L CB -0.656 41.281 42.059 -0.204 0.000 0.894 386 L HN 0.027 nan 8.230 nan 0.000 0.432 387 V N -1.325 118.568 119.914 -0.034 0.000 2.427 387 V HA -0.205 3.914 4.120 -0.000 0.000 0.248 387 V C 2.372 178.483 176.094 0.028 0.000 1.051 387 V CA 1.780 64.094 62.300 0.024 0.000 1.048 387 V CB 0.041 31.881 31.823 0.028 0.000 0.666 387 V HN 0.325 nan 8.190 nan 0.000 0.456 388 V N 0.727 120.629 119.914 -0.019 0.000 2.307 388 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 388 V C 2.721 178.886 176.094 0.119 0.000 1.045 388 V CA 2.029 64.328 62.300 -0.002 0.000 1.024 388 V CB -1.374 30.349 31.823 -0.166 0.000 0.651 388 V HN 0.618 nan 8.190 nan 0.000 0.449 389 G N -0.410 108.460 108.800 0.115 0.000 2.432 389 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 389 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 389 G C 1.482 176.456 174.900 0.124 0.000 1.135 389 G CA 0.591 45.788 45.100 0.163 0.000 0.767 389 G HN 0.486 nan 8.290 nan 0.000 0.550 390 L N -1.135 120.157 121.223 0.116 0.000 2.558 390 L HA 0.270 4.609 4.340 -0.000 0.000 0.225 390 L C 1.667 178.637 176.870 0.165 0.000 1.128 390 L CA 0.061 55.004 54.840 0.171 0.000 0.868 390 L CB 0.096 42.279 42.059 0.206 0.000 1.006 390 L HN 0.242 nan 8.230 nan 0.000 0.454 391 R N -0.308 120.254 120.500 0.103 0.000 3.651 391 R HA -0.198 4.142 4.340 -0.000 0.000 0.292 391 R C 0.942 177.256 176.300 0.024 0.000 1.161 391 R CA 0.684 56.805 56.100 0.034 0.000 0.787 391 R CB -1.739 28.529 30.300 -0.053 0.000 1.249 391 R HN 0.227 nan 8.270 nan 0.000 0.476 392 T N -1.255 113.382 114.554 0.139 0.000 2.821 392 T HA 0.021 4.371 4.350 -0.000 0.000 0.267 392 T C 1.548 176.340 174.700 0.155 0.000 1.046 392 T CA 1.602 63.845 62.100 0.238 0.000 1.139 392 T CB -0.090 68.932 68.868 0.258 0.000 0.871 392 T HN 0.752 nan 8.240 nan 0.000 0.454 393 G N 1.800 110.667 108.800 0.113 0.000 2.162 393 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 393 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 393 G C -0.092 174.923 174.900 0.192 0.000 0.976 393 G CA 0.473 45.639 45.100 0.109 0.000 0.655 393 G HN 0.723 nan 8.290 nan 0.000 0.533 394 Q N -1.164 118.762 119.800 0.210 0.000 2.327 394 Q HA 0.779 5.119 4.340 -0.000 0.000 0.265 394 Q C -1.078 175.025 176.000 0.171 0.000 0.993 394 Q CA -1.101 54.858 55.803 0.259 0.000 0.885 394 Q CB 2.266 31.198 28.738 0.323 0.000 1.379 394 Q HN 0.605 nan 8.270 nan 0.000 0.408 395 I N 1.327 122.018 120.570 0.201 0.000 2.769 395 I HA 0.562 4.731 4.170 -0.000 0.000 0.298 395 I C -1.799 174.382 176.117 0.107 0.000 1.128 395 I CA -0.872 60.498 61.300 0.116 0.000 1.031 395 I CB 2.366 40.427 38.000 0.101 0.000 1.235 395 I HN 0.768 nan 8.210 nan 0.000 0.423 396 K N 4.480 124.877 120.400 -0.005 0.000 2.535 396 K HA 0.381 4.701 4.320 -0.000 0.000 0.253 396 K C -0.872 175.504 176.600 -0.374 0.000 0.953 396 K CA -0.319 55.911 56.287 -0.095 0.000 0.863 396 K CB 1.609 34.064 32.500 -0.074 0.000 1.111 396 K HN 0.645 nan 8.250 nan 0.000 0.431 397 T N 2.166 116.445 114.554 -0.459 0.000 3.399 397 T HA 0.371 4.721 4.350 -0.000 0.000 0.305 397 T C -0.108 174.338 174.700 -0.425 0.000 0.983 397 T CA 0.419 62.175 62.100 -0.574 0.000 0.967 397 T CB -0.041 68.754 68.868 -0.122 0.000 1.186 397 T HN 1.011 nan 8.240 nan 0.000 0.504 398 G N 1.037 109.582 108.800 -0.426 0.000 2.462 398 G HA2 0.376 4.335 3.960 -0.000 0.000 0.685 398 G HA3 0.376 4.335 3.960 -0.000 0.000 0.685 398 G C -0.194 174.671 174.900 -0.058 0.000 1.295 398 G CA -0.403 44.676 45.100 -0.034 0.000 0.941 398 G HN 0.755 nan 8.290 nan 0.000 0.554 399 A N 0.470 123.255 122.820 -0.059 0.000 2.406 399 A HA 0.698 5.018 4.320 -0.000 0.000 0.243 399 A C -1.063 176.330 177.584 -0.318 0.000 1.082 399 A CA -0.231 51.671 52.037 -0.225 0.000 0.786 399 A CB 0.158 18.991 19.000 -0.279 0.000 1.029 399 A HN 0.801 nan 8.150 nan 0.000 0.495 400 P HA 0.317 nan 4.420 nan 0.000 0.228 400 P C -0.554 176.480 177.300 -0.444 0.000 1.748 400 P CA 0.814 63.675 63.100 -0.397 0.000 0.909 400 P CB -0.438 31.039 31.700 -0.371 0.000 1.882 401 A N 0.805 123.417 122.820 -0.346 0.000 2.594 401 A HA 0.735 5.055 4.320 -0.000 0.000 0.295 401 A C -0.739 176.814 177.584 -0.052 0.000 1.071 401 A CA -0.782 51.163 52.037 -0.155 0.000 0.685 401 A CB 1.272 20.210 19.000 -0.104 0.000 1.285 401 A HN 0.154 nan 8.150 nan 0.000 0.405 402 R N 0.593 121.097 120.500 0.007 0.000 1.181 402 R HA -0.107 4.233 4.340 -0.000 0.000 0.422 402 R C 0.396 176.711 176.300 0.025 0.000 1.335 402 R CA 0.554 56.670 56.100 0.026 0.000 1.047 402 R CB -1.408 28.913 30.300 0.034 0.000 3.189 402 R HN 0.817 nan 8.270 nan 0.000 0.504 403 S N 1.674 117.394 115.700 0.033 0.000 2.515 403 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 403 S C 1.657 176.283 174.600 0.043 0.000 0.987 403 S CA 1.051 59.272 58.200 0.035 0.000 0.936 403 S CB -0.018 63.204 63.200 0.035 0.000 0.766 403 S HN 0.723 nan 8.310 nan 0.000 0.528 404 E N 1.813 122.043 120.200 0.049 0.000 2.338 404 E HA -0.146 4.203 4.350 -0.000 0.000 0.197 404 E C 1.392 178.039 176.600 0.078 0.000 1.007 404 E CA 0.718 57.155 56.400 0.062 0.000 0.849 404 E CB -0.068 29.669 29.700 0.062 0.000 0.774 404 E HN 0.367 nan 8.360 nan 0.000 0.506 405 R N 0.156 120.695 120.500 0.065 0.000 2.087 405 R HA 0.165 4.505 4.340 -0.000 0.000 0.213 405 R C 2.480 178.800 176.300 0.035 0.000 1.137 405 R CA 0.147 56.281 56.100 0.057 0.000 1.022 405 R CB -0.769 29.551 30.300 0.033 0.000 0.920 405 R HN 0.167 nan 8.270 nan 0.000 0.451 406 L N 1.572 122.808 121.223 0.021 0.000 2.131 406 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 406 L C 2.495 179.390 176.870 0.042 0.000 1.092 406 L CA 1.701 56.556 54.840 0.025 0.000 0.759 406 L CB -1.663 40.406 42.059 0.017 0.000 0.903 406 L HN 0.140 nan 8.230 nan 0.000 0.435 407 A N 0.064 122.911 122.820 0.045 0.000 1.903 407 A HA -0.284 4.035 4.320 -0.000 0.000 0.219 407 A C 2.411 180.024 177.584 0.049 0.000 1.191 407 A CA 2.153 54.219 52.037 0.048 0.000 0.638 407 A CB -0.378 18.655 19.000 0.054 0.000 0.823 407 A HN 0.275 nan 8.150 nan 0.000 0.451 408 K N -0.333 120.098 120.400 0.053 0.000 2.031 408 K HA 0.123 4.442 4.320 -0.000 0.000 0.205 408 K C 1.822 178.447 176.600 0.043 0.000 1.049 408 K CA 1.122 57.435 56.287 0.044 0.000 0.939 408 K CB -0.485 32.045 32.500 0.050 0.000 0.717 408 K HN 0.488 nan 8.250 nan 0.000 0.438 409 L N 1.002 122.277 121.223 0.086 0.000 2.083 409 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 409 L C 1.781 178.757 176.870 0.177 0.000 1.083 409 L CA 1.012 55.966 54.840 0.190 0.000 0.752 409 L CB -0.514 41.645 42.059 0.167 0.000 0.899 409 L HN 0.224 nan 8.230 nan 0.000 0.433 410 N N -0.233 118.526 118.700 0.097 0.000 2.166 410 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 410 N C 1.888 177.417 175.510 0.033 0.000 1.019 410 N CA 1.023 54.116 53.050 0.072 0.000 0.856 410 N CB -0.218 38.299 38.487 0.050 0.000 0.993 410 N HN 0.279 nan 8.380 nan 0.000 0.426 411 Q N 0.953 120.758 119.800 0.008 0.000 2.124 411 Q HA 0.040 4.379 4.340 -0.000 0.000 0.202 411 Q C 1.968 177.904 176.000 -0.106 0.000 0.977 411 Q CA 1.140 56.927 55.803 -0.027 0.000 0.850 411 Q CB -0.371 28.359 28.738 -0.014 0.000 0.901 411 Q HN 0.382 nan 8.270 nan 0.000 0.429 412 L N -0.442 120.665 121.223 -0.193 0.000 2.083 412 L HA -0.174 4.165 4.340 -0.000 0.000 0.209 412 L C 2.328 178.968 176.870 -0.384 0.000 1.083 412 L CA 0.857 55.411 54.840 -0.477 0.000 0.752 412 L CB -0.499 40.963 42.059 -0.996 0.000 0.899 412 L HN 0.282 nan 8.230 nan 0.000 0.433 413 L N -0.532 120.645 121.223 -0.078 0.000 2.012 413 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 413 L C 2.897 179.757 176.870 -0.016 0.000 1.073 413 L CA 1.500 56.378 54.840 0.064 0.000 0.748 413 L CB -0.524 41.606 42.059 0.118 0.000 0.891 413 L HN 0.251 nan 8.230 nan 0.000 0.431 414 R N -0.047 120.434 120.500 -0.033 0.000 2.081 414 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 414 R C 2.250 178.510 176.300 -0.067 0.000 1.131 414 R CA 1.365 57.447 56.100 -0.029 0.000 0.960 414 R CB -0.395 29.900 30.300 -0.007 0.000 0.856 414 R HN 0.347 nan 8.270 nan 0.000 0.436 415 I N 0.578 121.062 120.570 -0.144 0.000 2.252 415 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 415 I C 2.604 178.554 176.117 -0.278 0.000 1.102 415 I CA 1.242 62.379 61.300 -0.271 0.000 1.385 415 I CB -0.294 37.435 38.000 -0.451 0.000 1.064 415 I HN 0.268 nan 8.210 nan 0.000 0.414 416 E N 1.131 121.204 120.200 -0.213 0.000 2.077 416 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 416 E C 2.148 178.706 176.600 -0.070 0.000 0.989 416 E CA 1.436 57.758 56.400 -0.130 0.000 0.800 416 E CB -0.015 29.657 29.700 -0.047 0.000 0.746 416 E HN 0.459 nan 8.360 nan 0.000 0.452 417 E N 0.492 120.664 120.200 -0.047 0.000 2.077 417 E HA -0.263 4.086 4.350 -0.000 0.000 0.193 417 E C 2.025 178.614 176.600 -0.018 0.000 0.989 417 E CA 1.294 57.683 56.400 -0.019 0.000 0.800 417 E CB -0.057 29.639 29.700 -0.006 0.000 0.746 417 E HN 0.305 nan 8.360 nan 0.000 0.452 418 E N 0.090 120.272 120.200 -0.030 0.000 2.153 418 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 418 E C 2.139 178.735 176.600 -0.007 0.000 0.988 418 E CA 0.800 57.198 56.400 -0.003 0.000 0.811 418 E CB 0.060 29.777 29.700 0.028 0.000 0.746 418 E HN 0.329 nan 8.360 nan 0.000 0.466 419 L N -0.526 120.660 121.223 -0.062 0.000 2.307 419 L HA 0.151 4.490 4.340 -0.000 0.000 0.211 419 L C 1.761 178.635 176.870 0.006 0.000 1.099 419 L CA 0.280 55.091 54.840 -0.048 0.000 0.816 419 L CB -0.536 41.430 42.059 -0.156 0.000 0.952 419 L HN 0.381 nan 8.230 nan 0.000 0.455 420 G N 0.982 109.781 108.800 -0.000 0.000 2.685 420 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.329 420 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.329 420 G C 0.530 175.450 174.900 0.033 0.000 1.271 420 G CA 0.839 45.949 45.100 0.018 0.000 1.003 420 G HN 0.304 nan 8.290 nan 0.000 0.549 421 D N 1.514 121.938 120.400 0.040 0.000 2.371 421 D HA 0.032 4.672 4.640 -0.000 0.000 0.221 421 D C 1.997 178.335 176.300 0.064 0.000 0.986 421 D CA 0.538 54.566 54.000 0.048 0.000 0.899 421 D CB -0.164 40.660 40.800 0.040 0.000 0.902 421 D HN 0.345 nan 8.370 nan 0.000 0.530 422 N N 0.074 118.823 118.700 0.082 0.000 2.383 422 N HA 0.104 4.844 4.740 -0.000 0.000 0.192 422 N C -0.062 175.551 175.510 0.173 0.000 1.141 422 N CA 0.113 53.241 53.050 0.130 0.000 0.851 422 N CB 0.752 39.344 38.487 0.175 0.000 0.976 422 N HN 0.040 nan 8.380 nan 0.000 0.465 423 A N 0.275 123.163 122.820 0.113 0.000 2.454 423 A HA 0.673 4.993 4.320 -0.000 0.000 0.302 423 A C -0.359 177.286 177.584 0.102 0.000 1.079 423 A CA -0.637 51.468 52.037 0.114 0.000 0.731 423 A CB 1.642 20.667 19.000 0.042 0.000 1.299 423 A HN -0.053 nan 8.150 nan 0.000 0.413 424 V N -1.074 118.909 119.914 0.115 0.000 2.823 424 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 424 V C -0.623 175.590 176.094 0.199 0.000 1.072 424 V CA -0.886 61.495 62.300 0.136 0.000 0.937 424 V CB 1.485 33.366 31.823 0.096 0.000 1.013 424 V HN 0.988 nan 8.190 nan 0.000 0.430 425 F N 3.542 123.533 119.950 0.069 0.000 2.427 425 F HA 0.711 5.237 4.527 -0.000 0.000 0.352 425 F C 1.311 177.170 175.800 0.098 0.000 1.100 425 F CA 0.001 58.058 58.000 0.094 0.000 1.191 425 F CB 1.592 40.647 39.000 0.093 0.000 1.128 425 F HN 0.877 nan 8.300 nan 0.000 0.533 426 A N 5.081 127.615 122.820 -0.477 0.000 1.902 426 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 426 A C 1.978 179.341 177.584 -0.368 0.000 1.181 426 A CA 1.496 53.333 52.037 -0.333 0.000 0.623 426 A CB -1.580 17.303 19.000 -0.194 0.000 0.818 426 A HN 1.662 nan 8.150 nan 0.000 0.443 427 G N -0.703 107.589 108.800 -0.846 0.000 2.634 427 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.309 427 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.309 427 G C 0.649 175.564 174.900 0.024 0.000 1.265 427 G CA 0.510 45.436 45.100 -0.290 0.000 0.998 427 G HN 0.385 nan 8.290 nan 0.000 0.551 428 E N 1.576 121.835 120.200 0.097 0.000 2.409 428 E HA -0.039 4.311 4.350 -0.000 0.000 0.198 428 E C 1.785 178.434 176.600 0.081 0.000 1.024 428 E CA 0.673 57.166 56.400 0.155 0.000 0.861 428 E CB -0.224 29.537 29.700 0.101 0.000 0.788 428 E HN 0.489 nan 8.360 nan 0.000 0.521 429 N N 0.853 119.569 118.700 0.027 0.000 2.276 429 N HA -0.007 4.733 4.740 -0.000 0.000 0.212 429 N C 1.274 176.735 175.510 -0.083 0.000 1.127 429 N CA -0.105 52.919 53.050 -0.043 0.000 0.834 429 N CB -0.073 38.409 38.487 -0.010 0.000 1.014 429 N HN 0.222 nan 8.380 nan 0.000 0.491 430 F N 0.857 120.813 119.950 0.010 0.000 2.192 430 F HA -0.208 4.318 4.527 -0.000 0.000 0.301 430 F C 2.314 178.166 175.800 0.087 0.000 1.079 430 F CA 1.268 59.290 58.000 0.036 0.000 1.303 430 F CB -0.788 38.269 39.000 0.095 0.000 1.024 430 F HN 0.087 nan 8.300 nan 0.000 0.494 431 H N -0.192 118.355 119.070 -0.872 0.000 2.321 431 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 431 H C 0.580 175.719 175.328 -0.316 0.000 1.087 431 H CA 2.229 57.913 56.048 -0.607 0.000 1.319 431 H CB -0.655 28.609 29.762 -0.829 0.000 1.379 431 H HN 0.545 nan 8.280 nan 0.000 0.501 432 H N -0.576 118.355 119.070 -0.231 0.000 2.533 432 H HA 0.236 4.792 4.556 -0.000 0.000 0.281 432 H C 1.616 176.858 175.328 -0.142 0.000 1.238 432 H CA 0.014 55.941 56.048 -0.202 0.000 1.024 432 H CB 0.571 30.256 29.762 -0.129 0.000 1.604 432 H HN 0.524 nan 8.280 nan 0.000 0.531 433 G N 0.858 109.650 108.800 -0.013 0.000 2.469 433 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 433 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 433 G C 1.571 176.409 174.900 -0.103 0.000 1.136 433 G CA 1.163 46.249 45.100 -0.024 0.000 0.759 433 G HN 0.594 nan 8.290 nan 0.000 0.562 434 D N 0.692 120.949 120.400 -0.238 0.000 2.310 434 D HA -0.070 4.570 4.640 -0.000 0.000 0.212 434 D C 1.711 177.829 176.300 -0.303 0.000 0.965 434 D CA 0.710 54.448 54.000 -0.437 0.000 0.879 434 D CB -0.243 39.865 40.800 -1.152 0.000 0.921 434 D HN 0.346 nan 8.370 nan 0.000 0.510 435 K N -0.198 120.081 120.400 -0.202 0.000 2.358 435 K HA 0.154 4.473 4.320 -0.000 0.000 0.197 435 K C 0.159 176.700 176.600 -0.099 0.000 1.025 435 K CA -0.581 55.614 56.287 -0.154 0.000 1.104 435 K CB 0.576 32.978 32.500 -0.163 0.000 0.855 435 K HN 0.004 nan 8.250 nan 0.000 0.531 436 L N 2.831 124.007 121.223 -0.079 0.000 2.601 436 L HA -0.083 4.257 4.340 -0.000 0.000 0.277 436 L C 0.326 177.162 176.870 -0.057 0.000 1.219 436 L CA 0.211 55.020 54.840 -0.051 0.000 0.915 436 L CB 0.199 42.237 42.059 -0.035 0.000 1.160 436 L HN 0.138 nan 8.230 nan 0.000 0.494 437 L N 2.717 123.915 121.223 -0.043 0.000 2.480 437 L HA 0.539 4.879 4.340 -0.000 0.000 0.243 437 L C 0.116 176.966 176.870 -0.034 0.000 1.315 437 L CA 0.145 54.959 54.840 -0.044 0.000 1.231 437 L CB -1.869 40.168 42.059 -0.037 0.000 1.444 437 L HN 0.751 nan 8.230 nan 0.000 0.409 438 H N 0.000 119.045 119.070 -0.041 0.000 2.539 438 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 438 H CA 0.000 nan 56.048 nan 0.000 1.023 438 H CB 0.000 nan 29.762 nan 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496