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 2vqj_1_A DATA FIRST_RESID 6 DATA SEQUENCE PRFTTGLVYD TLMLKHQCTC GSSSSHPEHA GRIQSIWSRL QETGLRGKCE DATA SEQUENCE CIRGRKATLE ELQTVHSEAH TLLYGTNPLN RQKLDSKKLL GSLASVFVRL DATA SEQUENCE PCGGVGVDSD TIWNEVHSAG AARLAVGCVV ELVFKVATGE LKNGFAVVRP DATA SEQUENCE PGHHAEESTP MGFCYFNSVA VAAKLLQQRL SVSKILIVDW DVHHGNGTQQ DATA SEQUENCE AFYSDPSVLY MSLHRYDDGN FFPGSGAPDE VGTGPGVGFN VNMAFTGGLD DATA SEQUENCE PPMGDAEYLA AFRTVVMPIA SEFAPDVVLV SSGFDAVEGH PTPLGGYNLS DATA SEQUENCE ARCFGYLTKQ LMGLAGGRIV LALEGGHDLT AICDASEACV SALLGNELDP DATA SEQUENCE LPEKVLQQRP NANAVRSMEK VMEIHSKYWR CLQRTTSTAG RSLIEAQTCE DATA SEQUENCE NE 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.337 177.300 0.062 0.000 1.155 6 P CA 0.000 63.133 63.100 0.054 0.000 0.800 6 P CB 0.000 nan 31.700 nan 0.000 0.726 7 R N -0.035 120.520 120.500 0.091 0.000 2.189 7 R HA 0.174 4.514 4.340 -0.000 0.000 0.203 7 R C 0.535 176.921 176.300 0.143 0.000 1.012 7 R CA 0.282 56.441 56.100 0.098 0.000 1.015 7 R CB 0.031 30.388 30.300 0.095 0.000 0.938 7 R HN 0.525 nan 8.270 nan 0.000 0.472 8 F N 1.891 121.858 119.950 0.029 0.000 2.651 8 F HA 0.163 4.690 4.527 -0.000 0.000 0.347 8 F C -0.154 175.665 175.800 0.031 0.000 1.284 8 F CA 0.638 58.656 58.000 0.030 0.000 1.175 8 F CB 0.105 39.120 39.000 0.025 0.000 1.542 8 F HN -0.203 nan 8.300 nan 0.000 0.661 9 T N 1.830 116.224 114.554 -0.267 0.000 2.612 9 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 9 T C -0.582 173.999 174.700 -0.199 0.000 1.148 9 T CA -0.470 61.485 62.100 -0.241 0.000 1.077 9 T CB 1.187 70.006 68.868 -0.081 0.000 1.591 9 T HN 0.091 nan 8.240 nan 0.000 0.479 10 T N 1.620 116.109 114.554 -0.108 0.000 2.834 10 T HA 0.518 4.867 4.350 -0.000 0.000 0.298 10 T C 0.441 175.145 174.700 0.007 0.000 0.966 10 T CA -0.085 61.988 62.100 -0.045 0.000 1.141 10 T CB 0.408 69.269 68.868 -0.013 0.000 0.905 10 T HN 0.744 nan 8.240 nan 0.000 0.535 11 G N 2.512 111.337 108.800 0.041 0.000 2.400 11 G HA2 0.642 4.602 3.960 -0.000 0.000 0.301 11 G HA3 0.642 4.602 3.960 -0.000 0.000 0.301 11 G C -0.942 174.052 174.900 0.156 0.000 1.154 11 G CA -0.655 44.499 45.100 0.091 0.000 0.852 11 G HN 0.660 nan 8.290 nan 0.000 0.511 12 L N 1.038 122.385 121.223 0.206 0.000 2.381 12 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 12 L C -0.464 176.602 176.870 0.326 0.000 0.997 12 L CA -1.108 53.925 54.840 0.322 0.000 0.818 12 L CB 2.423 44.714 42.059 0.388 0.000 1.310 12 L HN 0.304 nan 8.230 nan 0.000 0.416 13 V N 0.959 121.059 119.914 0.310 0.000 2.769 13 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 13 V C -1.252 174.963 176.094 0.202 0.000 1.061 13 V CA -0.952 61.471 62.300 0.205 0.000 0.931 13 V CB 1.948 33.840 31.823 0.115 0.000 1.010 13 V HN 0.675 nan 8.190 nan 0.000 0.433 14 Y N 0.807 120.998 120.300 -0.183 0.000 2.638 14 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 14 Y C -2.121 173.567 175.900 -0.353 0.000 1.182 14 Y CA -0.742 57.117 58.100 -0.401 0.000 1.102 14 Y CB 2.065 39.850 38.460 -1.126 0.000 1.343 14 Y HN 0.792 nan 8.280 nan 0.000 0.463 15 D N 1.953 121.777 120.400 -0.960 0.000 2.861 15 D HA 0.160 4.800 4.640 -0.000 0.000 0.216 15 D C 0.480 176.303 176.300 -0.795 0.000 1.323 15 D CA 0.439 54.042 54.000 -0.661 0.000 0.917 15 D CB 2.138 42.739 40.800 -0.332 0.000 1.582 15 D HN 0.762 nan 8.370 nan 0.000 0.576 16 T N 0.981 115.195 114.554 -0.567 0.000 2.849 16 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 16 T C 1.979 176.563 174.700 -0.194 0.000 1.066 16 T CA 0.758 62.654 62.100 -0.341 0.000 1.130 16 T CB -0.128 68.655 68.868 -0.141 0.000 0.864 16 T HN 0.451 nan 8.240 nan 0.000 0.481 17 L N -0.455 120.669 121.223 -0.164 0.000 2.610 17 L HA 0.255 4.595 4.340 -0.000 0.000 0.232 17 L C 2.558 179.391 176.870 -0.061 0.000 1.149 17 L CA 0.419 55.222 54.840 -0.061 0.000 0.872 17 L CB -0.578 41.445 42.059 -0.059 0.000 0.992 17 L HN 0.295 nan 8.230 nan 0.000 0.447 18 M N -0.605 118.911 119.600 -0.140 0.000 2.506 18 M HA 0.045 4.524 4.480 -0.000 0.000 0.260 18 M C 0.423 176.748 176.300 0.041 0.000 1.104 18 M CA 0.692 55.928 55.300 -0.107 0.000 1.112 18 M CB 0.246 32.749 32.600 -0.161 0.000 1.401 18 M HN 0.144 nan 8.290 nan 0.000 0.473 19 L N 0.379 121.635 121.223 0.055 0.000 2.350 19 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 19 L C 1.413 178.394 176.870 0.185 0.000 1.099 19 L CA -0.621 54.282 54.840 0.106 0.000 0.808 19 L CB 0.622 42.693 42.059 0.019 0.000 1.149 19 L HN 0.002 nan 8.230 nan 0.000 0.442 20 K N 0.661 121.131 120.400 0.115 0.000 2.002 20 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 20 K C 0.324 176.942 176.600 0.030 0.000 1.048 20 K CA 1.500 57.742 56.287 -0.074 0.000 0.930 20 K CB -0.130 32.370 32.500 -0.000 0.000 0.714 20 K HN 0.564 nan 8.250 nan 0.000 0.438 21 H N -0.258 118.805 119.070 -0.011 0.000 2.759 21 H HA 0.250 4.806 4.556 -0.000 0.000 0.354 21 H C -1.464 173.882 175.328 0.030 0.000 1.074 21 H CA -0.625 55.438 56.048 0.024 0.000 1.226 21 H CB 1.343 31.131 29.762 0.043 0.000 1.648 21 H HN -0.082 nan 8.280 nan 0.000 0.529 22 Q N 4.879 124.376 119.800 -0.504 0.000 2.340 22 Q HA 0.515 4.855 4.340 -0.000 0.000 0.259 22 Q C -1.314 174.317 176.000 -0.615 0.000 0.964 22 Q CA -0.651 54.905 55.803 -0.411 0.000 0.900 22 Q CB 0.651 29.299 28.738 -0.149 0.000 1.228 22 Q HN 0.687 nan 8.270 nan 0.000 0.449 23 C N 3.147 122.215 119.300 -0.385 0.000 2.441 23 C HA 0.506 4.966 4.460 -0.000 0.000 0.318 23 C C -0.080 174.914 174.990 0.006 0.000 1.222 23 C CA -0.380 58.571 59.018 -0.111 0.000 1.474 23 C CB 1.800 29.628 27.740 0.147 0.000 2.125 23 C HN 0.844 nan 8.230 nan 0.000 0.479 24 T N 1.790 116.366 114.554 0.038 0.000 2.907 24 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 24 T C 0.641 175.383 174.700 0.069 0.000 1.017 24 T CA 0.075 62.206 62.100 0.052 0.000 1.118 24 T CB 0.239 69.134 68.868 0.046 0.000 0.948 24 T HN 0.998 nan 8.240 nan 0.000 0.531 25 C N 1.482 120.819 119.300 0.062 0.000 4.417 25 C HA -0.158 4.302 4.460 -0.000 0.000 0.284 25 C C 2.323 177.366 174.990 0.089 0.000 1.379 25 C CA -0.001 59.057 59.018 0.065 0.000 1.918 25 C CB -2.489 25.289 27.740 0.063 0.000 1.280 25 C HN 1.208 nan 8.230 nan 0.000 0.783 26 G N 1.611 110.465 108.800 0.091 0.000 2.433 26 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.216 26 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.216 26 G C 1.601 176.555 174.900 0.090 0.000 1.186 26 G CA 1.882 47.046 45.100 0.107 0.000 0.779 26 G HN 1.212 nan 8.290 nan 0.000 0.543 27 S N -0.281 115.453 115.700 0.057 0.000 2.372 27 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 27 S C 1.187 175.814 174.600 0.044 0.000 1.044 27 S CA 1.387 59.610 58.200 0.039 0.000 1.050 27 S CB -0.587 62.624 63.200 0.018 0.000 0.901 27 S HN 1.343 nan 8.310 nan 0.000 0.447 28 S N -0.812 114.917 115.700 0.048 0.000 3.522 28 S HA -0.094 4.376 4.470 -0.000 0.000 0.829 28 S C -0.334 174.280 174.600 0.023 0.000 1.219 28 S CA 0.517 58.746 58.200 0.048 0.000 1.016 28 S CB -1.280 61.965 63.200 0.074 0.000 0.587 28 S HN 1.708 nan 8.310 nan 0.000 0.357 29 S N 1.093 116.802 115.700 0.015 0.000 2.730 29 S HA 0.574 5.044 4.470 -0.000 0.000 0.150 29 S C 0.028 174.615 174.600 -0.021 0.000 1.139 29 S CA 1.006 59.201 58.200 -0.008 0.000 1.155 29 S CB -0.593 62.600 63.200 -0.012 0.000 1.682 29 S HN 1.864 nan 8.310 nan 0.000 0.452 30 S N 0.811 116.493 115.700 -0.029 0.000 4.738 30 S HA 0.298 4.768 4.470 -0.000 0.000 0.176 30 S C 0.554 175.067 174.600 -0.144 0.000 1.108 30 S CA -0.156 58.008 58.200 -0.061 0.000 1.277 30 S CB 0.235 63.440 63.200 0.009 0.000 1.680 30 S HN 0.460 nan 8.310 nan 0.000 0.502 31 H N 1.106 120.183 119.070 0.012 0.000 1.785 31 H HA 0.395 4.951 4.556 -0.000 0.000 0.135 31 H C -2.230 173.109 175.328 0.018 0.000 1.141 31 H CA 0.704 56.759 56.048 0.011 0.000 1.104 31 H CB -1.085 28.681 29.762 0.007 0.000 0.672 31 H HN 0.312 nan 8.280 nan 0.000 0.274 32 P HA 0.087 nan 4.420 nan 0.000 0.266 32 P C 0.673 178.041 177.300 0.112 0.000 1.195 32 P CA 0.417 63.579 63.100 0.103 0.000 0.768 32 P CB 1.653 33.391 31.700 0.063 0.000 0.838 33 E N 1.279 121.548 120.200 0.114 0.000 3.565 33 E HA 0.191 4.540 4.350 -0.000 0.000 0.475 33 E C -0.033 176.713 176.600 0.244 0.000 0.425 33 E CA -0.259 56.220 56.400 0.132 0.000 2.837 33 E CB 0.016 29.776 29.700 0.100 0.000 2.245 33 E HN 0.772 nan 8.360 nan 0.000 0.509 34 H N -1.645 117.454 119.070 0.050 0.000 4.716 34 H HA -0.136 4.420 4.556 -0.000 0.000 0.254 34 H C -0.764 174.610 175.328 0.077 0.000 0.526 34 H CA 0.870 56.957 56.048 0.065 0.000 0.674 34 H CB -1.211 28.593 29.762 0.069 0.000 0.898 34 H HN 0.924 nan 8.280 nan 0.000 0.304 35 A N 0.925 123.396 122.820 -0.582 0.000 2.425 35 A HA 0.284 4.604 4.320 -0.000 0.000 0.682 35 A C 1.026 178.550 177.584 -0.100 0.000 0.148 35 A CA 0.957 52.797 52.037 -0.327 0.000 0.059 35 A CB -1.869 17.030 19.000 -0.168 0.000 3.953 35 A HN 1.962 nan 8.150 nan 0.000 0.545 36 G N 1.533 110.304 108.800 -0.047 0.000 2.485 36 G HA2 0.450 4.410 3.960 -0.000 0.000 0.260 36 G HA3 0.450 4.410 3.960 -0.000 0.000 0.260 36 G C 0.850 175.772 174.900 0.036 0.000 1.459 36 G CA 0.226 45.331 45.100 0.008 0.000 1.060 36 G HN 1.036 nan 8.290 nan 0.000 0.546 37 R N -0.729 119.809 120.500 0.062 0.000 2.055 37 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 37 R C 2.627 179.012 176.300 0.141 0.000 1.143 37 R CA 1.725 57.879 56.100 0.089 0.000 0.945 37 R CB -0.580 29.784 30.300 0.107 0.000 0.841 37 R HN 0.638 nan 8.270 nan 0.000 0.429 38 I N -1.302 119.379 120.570 0.185 0.000 2.394 38 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 38 I C 2.385 178.685 176.117 0.305 0.000 1.136 38 I CA 1.393 62.863 61.300 0.284 0.000 1.425 38 I CB -0.373 37.834 38.000 0.345 0.000 1.079 38 I HN 0.152 nan 8.210 nan 0.000 0.425 39 Q N 1.445 121.395 119.800 0.250 0.000 2.119 39 Q HA -0.131 4.208 4.340 -0.000 0.000 0.201 39 Q C 2.269 178.346 176.000 0.129 0.000 0.972 39 Q CA 1.977 57.906 55.803 0.209 0.000 0.847 39 Q CB 0.100 28.926 28.738 0.147 0.000 0.903 39 Q HN 0.629 nan 8.270 nan 0.000 0.433 40 S N 0.331 116.088 115.700 0.095 0.000 2.383 40 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 40 S C 1.803 176.430 174.600 0.046 0.000 1.026 40 S CA 0.947 59.180 58.200 0.055 0.000 0.981 40 S CB -0.126 63.094 63.200 0.033 0.000 0.818 40 S HN 0.359 nan 8.310 nan 0.000 0.472 41 I N 0.355 120.976 120.570 0.085 0.000 2.202 41 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 41 I C 2.330 178.466 176.117 0.032 0.000 1.091 41 I CA 1.057 62.397 61.300 0.067 0.000 1.368 41 I CB -0.282 37.813 38.000 0.158 0.000 1.058 41 I HN 0.461 nan 8.210 nan 0.000 0.410 42 W N 1.610 122.790 121.300 -0.201 0.000 2.321 42 W HA -0.254 4.406 4.660 -0.000 0.000 0.306 42 W C 2.535 178.920 176.519 -0.225 0.000 1.217 42 W CA 1.788 58.922 57.345 -0.351 0.000 1.257 42 W CB -0.033 28.931 29.460 -0.827 0.000 1.145 42 W HN 0.117 nan 8.180 nan 0.000 0.509 43 S N -0.043 115.633 115.700 -0.039 0.000 2.383 43 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 43 S C 1.723 176.239 174.600 -0.139 0.000 1.026 43 S CA 1.567 59.716 58.200 -0.085 0.000 0.981 43 S CB -0.402 62.794 63.200 -0.006 0.000 0.818 43 S HN 0.304 nan 8.310 nan 0.000 0.472 44 R N 1.195 121.624 120.500 -0.119 0.000 2.092 44 R HA 0.058 4.398 4.340 -0.000 0.000 0.231 44 R C 1.977 178.160 176.300 -0.194 0.000 1.119 44 R CA 1.035 57.056 56.100 -0.133 0.000 0.970 44 R CB -0.369 29.865 30.300 -0.109 0.000 0.864 44 R HN 0.337 nan 8.270 nan 0.000 0.440 45 L N 0.237 121.300 121.223 -0.267 0.000 2.191 45 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 45 L C 2.378 179.028 176.870 -0.366 0.000 1.103 45 L CA 1.295 55.932 54.840 -0.338 0.000 0.769 45 L CB -0.336 41.458 42.059 -0.442 0.000 0.908 45 L HN 0.395 nan 8.230 nan 0.000 0.438 46 Q N 0.150 119.718 119.800 -0.386 0.000 2.036 46 Q HA -0.184 4.156 4.340 -0.000 0.000 0.195 46 Q C 2.046 177.929 176.000 -0.195 0.000 0.971 46 Q CA 1.424 57.035 55.803 -0.320 0.000 0.826 46 Q CB 0.013 28.552 28.738 -0.330 0.000 0.896 46 Q HN 0.544 nan 8.270 nan 0.000 0.449 47 E N 0.508 120.615 120.200 -0.155 0.000 2.265 47 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 47 E C 1.562 178.100 176.600 -0.104 0.000 0.996 47 E CA 1.742 58.078 56.400 -0.108 0.000 0.832 47 E CB -0.383 29.267 29.700 -0.084 0.000 0.756 47 E HN 0.349 nan 8.360 nan 0.000 0.491 48 T N -3.841 110.638 114.554 -0.125 0.000 3.067 48 T HA 0.286 4.636 4.350 -0.000 0.000 0.257 48 T C 1.755 176.387 174.700 -0.113 0.000 1.105 48 T CA 0.247 62.279 62.100 -0.113 0.000 1.104 48 T CB 0.031 68.825 68.868 -0.124 0.000 0.925 48 T HN 0.523 nan 8.240 nan 0.000 0.498 49 G N 1.136 109.856 108.800 -0.134 0.000 2.159 49 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.256 49 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.256 49 G C 0.719 175.538 174.900 -0.134 0.000 0.977 49 G CA 0.371 45.397 45.100 -0.124 0.000 0.652 49 G HN 0.534 nan 8.290 nan 0.000 0.531 50 L N -0.298 120.830 121.223 -0.159 0.000 2.093 50 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 50 L C 2.985 179.751 176.870 -0.172 0.000 1.085 50 L CA 1.634 56.382 54.840 -0.153 0.000 0.755 50 L CB -0.392 41.567 42.059 -0.167 0.000 0.904 50 L HN 0.323 nan 8.230 nan 0.000 0.435 51 R N 0.796 121.143 120.500 -0.255 0.000 2.105 51 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 51 R C 2.084 178.284 176.300 -0.167 0.000 1.135 51 R CA 1.637 57.561 56.100 -0.293 0.000 0.967 51 R CB -0.637 29.341 30.300 -0.538 0.000 0.861 51 R HN 0.402 nan 8.270 nan 0.000 0.442 52 G N 0.905 109.621 108.800 -0.139 0.000 2.442 52 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 52 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 52 G C 1.471 176.337 174.900 -0.055 0.000 1.141 52 G CA 0.504 45.556 45.100 -0.082 0.000 0.763 52 G HN 0.327 nan 8.290 nan 0.000 0.554 53 K N -0.786 119.576 120.400 -0.063 0.000 2.366 53 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 53 K C 0.432 177.012 176.600 -0.034 0.000 1.044 53 K CA -0.144 56.117 56.287 -0.044 0.000 0.973 53 K CB 0.003 32.474 32.500 -0.049 0.000 0.767 53 K HN 0.283 nan 8.250 nan 0.000 0.475 54 C N 1.710 120.986 119.300 -0.040 0.000 2.351 54 C HA 0.282 4.742 4.460 -0.000 0.000 0.359 54 C C 0.242 175.242 174.990 0.016 0.000 1.193 54 C CA -1.037 57.974 59.018 -0.013 0.000 2.270 54 C CB 0.976 28.709 27.740 -0.013 0.000 2.369 54 C HN 0.268 nan 8.230 nan 0.000 0.553 55 E N 0.795 121.020 120.200 0.040 0.000 2.044 55 E HA 0.125 4.475 4.350 -0.000 0.000 0.282 55 E C -0.427 176.240 176.600 0.111 0.000 1.031 55 E CA 0.025 56.465 56.400 0.067 0.000 0.824 55 E CB 1.152 30.889 29.700 0.061 0.000 1.076 55 E HN 0.701 nan 8.360 nan 0.000 0.395 56 C N 6.013 125.397 119.300 0.139 0.000 2.627 56 C HA 0.191 4.651 4.460 -0.000 0.000 0.404 56 C C 0.181 175.273 174.990 0.170 0.000 1.340 56 C CA -0.574 58.576 59.018 0.220 0.000 1.758 56 C CB -1.072 26.836 27.740 0.280 0.000 2.501 56 C HN 0.446 nan 8.230 nan 0.000 0.588 57 I N 6.489 127.160 120.570 0.169 0.000 2.437 57 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 57 I C 0.683 176.857 176.117 0.095 0.000 0.984 57 I CA -0.286 61.084 61.300 0.118 0.000 1.214 57 I CB 1.159 39.226 38.000 0.112 0.000 1.365 57 I HN 0.623 nan 8.210 nan 0.000 0.469 58 R N 3.086 123.625 120.500 0.064 0.000 2.265 58 R HA 0.503 4.843 4.340 -0.000 0.000 0.314 58 R C 0.401 176.709 176.300 0.014 0.000 1.053 58 R CA -0.334 55.786 56.100 0.032 0.000 0.931 58 R CB 1.260 31.576 30.300 0.026 0.000 1.024 58 R HN 0.866 nan 8.270 nan 0.000 0.457 59 G N 1.821 110.614 108.800 -0.012 0.000 2.537 59 G HA2 0.582 4.542 3.960 -0.000 0.000 0.297 59 G HA3 0.582 4.542 3.960 -0.000 0.000 0.297 59 G C -0.565 174.312 174.900 -0.038 0.000 1.310 59 G CA -0.585 44.500 45.100 -0.025 0.000 1.027 59 G HN 0.675 nan 8.290 nan 0.000 0.505 60 R N -1.756 118.717 120.500 -0.046 0.000 2.741 60 R HA 0.392 4.732 4.340 -0.000 0.000 0.276 60 R C -1.204 175.060 176.300 -0.059 0.000 1.028 60 R CA -1.062 55.007 56.100 -0.052 0.000 0.865 60 R CB 0.940 31.212 30.300 -0.048 0.000 1.268 60 R HN 0.373 nan 8.270 nan 0.000 0.475 61 K N 0.813 121.175 120.400 -0.063 0.000 2.382 61 K HA 0.329 4.649 4.320 -0.000 0.000 0.275 61 K C 0.130 176.681 176.600 -0.082 0.000 1.009 61 K CA 0.204 56.447 56.287 -0.073 0.000 0.970 61 K CB 1.016 33.473 32.500 -0.072 0.000 0.934 61 K HN 0.606 nan 8.250 nan 0.000 0.479 62 A N 2.206 124.966 122.820 -0.100 0.000 2.483 62 A HA 0.090 4.410 4.320 -0.000 0.000 0.238 62 A C 0.531 178.045 177.584 -0.118 0.000 1.070 62 A CA -0.245 51.725 52.037 -0.113 0.000 0.770 62 A CB -0.022 18.893 19.000 -0.142 0.000 1.008 62 A HN 0.792 nan 8.150 nan 0.000 0.497 63 T N -0.077 114.416 114.554 -0.102 0.000 2.828 63 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 63 T C 0.921 175.560 174.700 -0.101 0.000 1.019 63 T CA -0.480 61.567 62.100 -0.089 0.000 1.031 63 T CB 0.372 69.198 68.868 -0.071 0.000 1.001 63 T HN 0.290 nan 8.240 nan 0.000 0.531 64 L N 0.734 121.908 121.223 -0.083 0.000 2.201 64 L HA 0.083 4.423 4.340 -0.000 0.000 0.212 64 L C 2.747 179.591 176.870 -0.043 0.000 1.105 64 L CA 1.628 56.425 54.840 -0.073 0.000 0.775 64 L CB -1.230 40.803 42.059 -0.043 0.000 0.913 64 L HN 0.955 nan 8.230 nan 0.000 0.440 65 E N -0.313 119.865 120.200 -0.038 0.000 2.107 65 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 65 E C 1.880 178.467 176.600 -0.022 0.000 0.982 65 E CA 0.987 57.374 56.400 -0.022 0.000 0.809 65 E CB 0.132 29.818 29.700 -0.023 0.000 0.756 65 E HN 0.558 nan 8.360 nan 0.000 0.459 66 E N 0.476 120.651 120.200 -0.041 0.000 2.051 66 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 66 E C 2.267 178.855 176.600 -0.019 0.000 0.991 66 E CA 1.114 57.492 56.400 -0.036 0.000 0.799 66 E CB -0.057 29.606 29.700 -0.061 0.000 0.748 66 E HN 0.312 nan 8.360 nan 0.000 0.449 67 L N 0.700 121.895 121.223 -0.047 0.000 2.131 67 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 67 L C 2.174 179.114 176.870 0.118 0.000 1.092 67 L CA 1.172 56.011 54.840 -0.002 0.000 0.759 67 L CB -0.283 41.648 42.059 -0.213 0.000 0.903 67 L HN 0.137 nan 8.230 nan 0.000 0.435 68 Q N -0.760 119.079 119.800 0.064 0.000 2.482 68 Q HA -0.085 4.255 4.340 -0.000 0.000 0.209 68 Q C 2.021 178.029 176.000 0.013 0.000 0.961 68 Q CA 1.142 56.986 55.803 0.068 0.000 0.945 68 Q CB -0.006 28.764 28.738 0.053 0.000 1.012 68 Q HN 0.614 nan 8.270 nan 0.000 0.515 69 T N -3.211 111.340 114.554 -0.005 0.000 2.833 69 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 69 T C 1.717 176.350 174.700 -0.111 0.000 1.054 69 T CA 1.236 63.314 62.100 -0.035 0.000 1.135 69 T CB -0.100 68.764 68.868 -0.006 0.000 0.869 69 T HN 0.081 nan 8.240 nan 0.000 0.466 70 V N -0.124 119.689 119.914 -0.169 0.000 2.908 70 V HA 0.236 4.356 4.120 -0.000 0.000 0.240 70 V C 1.005 176.836 176.094 -0.439 0.000 1.117 70 V CA 0.211 62.274 62.300 -0.394 0.000 1.133 70 V CB -0.120 31.351 31.823 -0.586 0.000 0.857 70 V HN 0.546 nan 8.190 nan 0.000 0.478 71 H N 0.354 119.419 119.070 -0.008 0.000 2.615 71 H HA 0.523 5.079 4.556 -0.000 0.000 0.346 71 H C 0.207 175.564 175.328 0.050 0.000 1.200 71 H CA 0.115 56.164 56.048 0.000 0.000 1.264 71 H CB 1.591 31.422 29.762 0.114 0.000 1.699 71 H HN 0.344 nan 8.280 nan 0.000 0.567 72 S N -0.359 115.466 115.700 0.208 0.000 2.585 72 S HA -0.024 4.446 4.470 -0.000 0.000 0.273 72 S C 1.287 176.007 174.600 0.200 0.000 1.339 72 S CA -0.426 57.870 58.200 0.160 0.000 1.028 72 S CB 1.447 64.734 63.200 0.144 0.000 0.906 72 S HN 0.824 nan 8.310 nan 0.000 0.528 73 E N 1.930 122.205 120.200 0.127 0.000 2.070 73 E HA -0.238 4.111 4.350 -0.000 0.000 0.197 73 E C 2.144 178.817 176.600 0.122 0.000 1.004 73 E CA 1.517 57.981 56.400 0.107 0.000 0.805 73 E CB -0.640 29.098 29.700 0.062 0.000 0.744 73 E HN 0.872 nan 8.360 nan 0.000 0.451 74 A N 0.243 123.133 122.820 0.118 0.000 1.877 74 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 74 A C 1.994 179.664 177.584 0.142 0.000 1.186 74 A CA 2.036 54.133 52.037 0.100 0.000 0.620 74 A CB -1.047 18.003 19.000 0.083 0.000 0.822 74 A HN 0.580 nan 8.150 nan 0.000 0.443 75 H N -0.333 118.825 119.070 0.145 0.000 2.319 75 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 75 H C 2.117 177.639 175.328 0.324 0.000 1.092 75 H CA 2.482 58.676 56.048 0.244 0.000 1.302 75 H CB -0.252 29.651 29.762 0.235 0.000 1.373 75 H HN 0.394 nan 8.280 nan 0.000 0.497 76 T N 0.705 115.484 114.554 0.375 0.000 2.777 76 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 76 T C 2.194 176.992 174.700 0.162 0.000 1.040 76 T CA 1.306 63.609 62.100 0.337 0.000 1.141 76 T CB -0.227 68.774 68.868 0.222 0.000 0.868 76 T HN 0.233 nan 8.240 nan 0.000 0.444 77 L N 0.387 121.661 121.223 0.085 0.000 2.093 77 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 77 L C 2.474 179.319 176.870 -0.042 0.000 1.085 77 L CA 0.929 55.779 54.840 0.018 0.000 0.755 77 L CB -0.519 41.544 42.059 0.006 0.000 0.904 77 L HN 0.238 nan 8.230 nan 0.000 0.435 78 L N -1.192 119.960 121.223 -0.118 0.000 1.988 78 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 78 L C 2.447 179.088 176.870 -0.381 0.000 1.071 78 L CA 1.794 56.437 54.840 -0.329 0.000 0.744 78 L CB -0.212 41.504 42.059 -0.571 0.000 0.893 78 L HN 0.199 nan 8.230 nan 0.000 0.433 79 Y N -1.321 118.906 120.300 -0.121 0.000 2.490 79 Y HA 0.056 4.606 4.550 -0.000 0.000 0.285 79 Y C 2.340 178.281 175.900 0.069 0.000 1.117 79 Y CA 0.603 58.619 58.100 -0.140 0.000 1.262 79 Y CB -0.315 37.903 38.460 -0.403 0.000 1.043 79 Y HN 0.174 nan 8.280 nan 0.000 0.553 80 G N -0.324 108.656 108.800 0.300 0.000 2.426 80 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 80 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 80 G C 0.749 175.674 174.900 0.042 0.000 1.156 80 G CA 0.673 45.878 45.100 0.176 0.000 0.802 80 G HN 0.304 nan 8.290 nan 0.000 0.534 81 T N -0.778 113.787 114.554 0.017 0.000 2.909 81 T HA 0.333 4.682 4.350 -0.000 0.000 0.289 81 T C 0.044 174.740 174.700 -0.006 0.000 1.005 81 T CA -0.891 61.205 62.100 -0.007 0.000 1.084 81 T CB 1.766 70.626 68.868 -0.014 0.000 0.975 81 T HN 0.087 nan 8.240 nan 0.000 0.509 82 N N 3.102 121.799 118.700 -0.005 0.000 2.468 82 N HA 0.081 4.820 4.740 -0.000 0.000 0.265 82 N C -1.309 174.211 175.510 0.018 0.000 1.199 82 N CA -1.763 51.291 53.050 0.006 0.000 0.928 82 N CB 1.280 39.765 38.487 -0.003 0.000 1.059 82 N HN 0.451 nan 8.380 nan 0.000 0.467 83 P HA -0.053 nan 4.420 nan 0.000 0.225 83 P C 1.452 178.792 177.300 0.066 0.000 1.156 83 P CA 0.804 63.936 63.100 0.053 0.000 0.787 83 P CB 0.351 32.106 31.700 0.092 0.000 0.802 84 L N -0.648 120.620 121.223 0.076 0.000 2.275 84 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 84 L C 1.914 178.802 176.870 0.029 0.000 1.119 84 L CA 1.102 55.979 54.840 0.061 0.000 0.790 84 L CB -1.173 40.905 42.059 0.031 0.000 0.919 84 L HN -0.043 nan 8.230 nan 0.000 0.443 85 N N 0.365 119.075 118.700 0.016 0.000 2.381 85 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 85 N C 1.688 177.201 175.510 0.005 0.000 1.025 85 N CA 0.843 53.896 53.050 0.006 0.000 0.888 85 N CB -0.096 38.390 38.487 -0.001 0.000 0.965 85 N HN 0.226 nan 8.380 nan 0.000 0.438 86 R N 0.118 120.622 120.500 0.006 0.000 2.297 86 R HA 0.152 4.492 4.340 -0.000 0.000 0.197 86 R C 0.438 176.741 176.300 0.005 0.000 0.943 86 R CA 0.379 56.480 56.100 0.001 0.000 1.038 86 R CB 0.236 30.532 30.300 -0.007 0.000 0.957 86 R HN 0.389 nan 8.270 nan 0.000 0.484 87 Q N 1.401 121.209 119.800 0.014 0.000 2.201 87 Q HA 0.062 4.402 4.340 -0.000 0.000 0.217 87 Q C -0.952 175.057 176.000 0.014 0.000 0.860 87 Q CA -0.243 55.570 55.803 0.017 0.000 0.984 87 Q CB 0.419 29.176 28.738 0.032 0.000 1.095 87 Q HN 0.129 nan 8.270 nan 0.000 0.477 88 K N 0.492 120.897 120.400 0.009 0.000 5.167 88 K HA -0.196 4.124 4.320 -0.000 0.000 0.510 88 K C -0.466 176.140 176.600 0.009 0.000 1.254 88 K CA -0.090 56.201 56.287 0.007 0.000 1.209 88 K CB -1.529 30.973 32.500 0.004 0.000 1.889 88 K HN 0.165 nan 8.250 nan 0.000 0.302 89 L N 0.347 121.575 121.223 0.008 0.000 2.972 89 L HA -0.077 4.263 4.340 -0.000 0.000 0.312 89 L C 0.458 177.333 176.870 0.009 0.000 1.169 89 L CA 0.767 55.611 54.840 0.007 0.000 0.873 89 L CB -0.246 41.815 42.059 0.004 0.000 1.237 89 L HN 0.684 nan 8.230 nan 0.000 0.510 90 D N 1.361 121.768 120.400 0.012 0.000 2.624 90 D HA 0.591 5.231 4.640 -0.000 0.000 0.257 90 D C 0.276 176.582 176.300 0.010 0.000 1.167 90 D CA -0.004 54.004 54.000 0.013 0.000 1.086 90 D CB 2.254 43.065 40.800 0.018 0.000 1.210 90 D HN 0.560 nan 8.370 nan 0.000 0.631 91 S N -1.153 114.553 115.700 0.011 0.000 3.325 91 S HA 0.067 4.537 4.470 -0.000 0.000 0.254 91 S C 1.344 175.951 174.600 0.013 0.000 1.084 91 S CA -0.186 58.020 58.200 0.010 0.000 0.786 91 S CB 0.363 63.567 63.200 0.007 0.000 0.849 91 S HN 0.388 nan 8.310 nan 0.000 0.483 92 K N 1.992 122.401 120.400 0.014 0.000 2.076 92 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 92 K C 2.269 178.884 176.600 0.025 0.000 1.051 92 K CA 1.501 57.799 56.287 0.018 0.000 0.949 92 K CB -0.210 32.299 32.500 0.015 0.000 0.726 92 K HN 0.212 nan 8.250 nan 0.000 0.443 93 K N 0.915 121.331 120.400 0.027 0.000 2.103 93 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 93 K C 1.917 178.544 176.600 0.046 0.000 1.052 93 K CA 1.324 57.634 56.287 0.039 0.000 0.945 93 K CB -0.850 31.672 32.500 0.037 0.000 0.722 93 K HN 0.204 nan 8.250 nan 0.000 0.443 94 L N -0.156 121.086 121.223 0.033 0.000 2.056 94 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 94 L C 2.397 179.279 176.870 0.020 0.000 1.078 94 L CA 1.375 56.230 54.840 0.026 0.000 0.749 94 L CB -0.191 41.877 42.059 0.014 0.000 0.901 94 L HN 0.371 nan 8.230 nan 0.000 0.433 95 L N -0.678 120.558 121.223 0.021 0.000 2.156 95 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 95 L C 2.249 179.139 176.870 0.034 0.000 1.095 95 L CA 1.722 56.575 54.840 0.021 0.000 0.770 95 L CB -1.004 41.066 42.059 0.017 0.000 0.914 95 L HN 0.285 nan 8.230 nan 0.000 0.439 96 G N -1.839 106.988 108.800 0.045 0.000 2.408 96 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 96 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 96 G C 1.581 176.538 174.900 0.094 0.000 1.150 96 G CA 0.786 45.925 45.100 0.064 0.000 0.776 96 G HN 0.444 nan 8.290 nan 0.000 0.542 97 S N 0.535 116.298 115.700 0.104 0.000 2.383 97 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 97 S C 2.257 176.837 174.600 -0.033 0.000 1.026 97 S CA 0.692 58.985 58.200 0.155 0.000 0.981 97 S CB -0.211 63.089 63.200 0.168 0.000 0.818 97 S HN 0.307 nan 8.310 nan 0.000 0.472 98 L N 1.024 122.215 121.223 -0.053 0.000 2.141 98 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 98 L C 2.622 179.538 176.870 0.077 0.000 1.094 98 L CA 1.008 55.825 54.840 -0.039 0.000 0.763 98 L CB -0.563 41.517 42.059 0.034 0.000 0.908 98 L HN 0.314 nan 8.230 nan 0.000 0.437 99 A N -1.334 121.531 122.820 0.075 0.000 2.066 99 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 99 A C 2.499 180.146 177.584 0.104 0.000 1.157 99 A CA 1.631 53.726 52.037 0.097 0.000 0.670 99 A CB -0.295 18.748 19.000 0.072 0.000 0.804 99 A HN 0.333 nan 8.150 nan 0.000 0.453 100 S N -0.972 114.797 115.700 0.115 0.000 2.439 100 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 100 S C 1.835 176.530 174.600 0.158 0.000 1.029 100 S CA 1.077 59.391 58.200 0.191 0.000 0.946 100 S CB -0.303 63.107 63.200 0.350 0.000 0.797 100 S HN 0.239 nan 8.310 nan 0.000 0.504 101 V N 1.312 121.129 119.914 -0.162 0.000 2.261 101 V HA -0.007 4.113 4.120 -0.000 0.000 0.246 101 V C 0.973 176.812 176.094 -0.425 0.000 1.047 101 V CA 1.314 63.283 62.300 -0.551 0.000 1.015 101 V CB -0.646 30.529 31.823 -1.081 0.000 0.642 101 V HN 0.415 nan 8.190 nan 0.000 0.446 102 F N -1.381 118.521 119.950 -0.080 0.000 2.378 102 F HA 0.618 5.145 4.527 -0.000 0.000 0.325 102 F C -0.008 175.782 175.800 -0.017 0.000 1.097 102 F CA -0.376 57.594 58.000 -0.049 0.000 1.079 102 F CB 1.534 40.501 39.000 -0.055 0.000 1.240 102 F HN -0.202 nan 8.300 nan 0.000 0.519 103 V N 2.487 122.518 119.914 0.194 0.000 2.882 103 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 103 V C -1.029 175.096 176.094 0.052 0.000 1.273 103 V CA -0.877 61.478 62.300 0.093 0.000 0.949 103 V CB 1.774 33.629 31.823 0.053 0.000 1.071 103 V HN 0.706 nan 8.190 nan 0.000 0.432 104 R N 4.219 124.735 120.500 0.028 0.000 2.543 104 R HA 0.628 4.968 4.340 -0.000 0.000 0.277 104 R C -0.478 175.801 176.300 -0.034 0.000 1.074 104 R CA 0.280 56.379 56.100 -0.002 0.000 1.076 104 R CB 0.627 30.927 30.300 0.000 0.000 0.993 104 R HN 0.713 nan 8.270 nan 0.000 0.459 105 L N 4.603 125.783 121.223 -0.070 0.000 2.313 105 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 105 L C -1.340 175.486 176.870 -0.074 0.000 1.010 105 L CA -2.186 52.593 54.840 -0.102 0.000 0.814 105 L CB 1.631 43.559 42.059 -0.218 0.000 1.304 105 L HN 0.491 nan 8.230 nan 0.000 0.441 106 P HA -0.145 nan 4.420 nan 0.000 0.218 106 P C 1.167 178.432 177.300 -0.059 0.000 1.146 106 P CA 1.070 64.126 63.100 -0.074 0.000 0.813 106 P CB -0.078 31.563 31.700 -0.099 0.000 0.778 107 C N -4.081 115.183 119.300 -0.061 0.000 2.576 107 C HA 0.629 5.089 4.460 -0.000 0.000 0.267 107 C C 2.024 177.033 174.990 0.033 0.000 1.364 107 C CA -0.035 58.979 59.018 -0.007 0.000 1.723 107 C CB -1.161 26.598 27.740 0.032 0.000 1.778 107 C HN 0.414 nan 8.230 nan 0.000 0.572 108 G N 0.348 109.161 108.800 0.021 0.000 2.284 108 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.230 108 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.230 108 G C 0.514 175.447 174.900 0.055 0.000 1.021 108 G CA 0.114 45.232 45.100 0.030 0.000 0.619 108 G HN 1.126 nan 8.290 nan 0.000 0.510 109 G N -0.595 108.275 108.800 0.117 0.000 2.606 109 G HA2 0.601 4.561 3.960 -0.000 0.000 0.252 109 G HA3 0.601 4.561 3.960 -0.000 0.000 0.252 109 G C -0.224 174.765 174.900 0.148 0.000 1.206 109 G CA 0.517 45.742 45.100 0.209 0.000 0.861 109 G HN 1.239 nan 8.290 nan 0.000 0.561 110 V N -0.146 119.884 119.914 0.193 0.000 2.815 110 V HA 0.972 5.092 4.120 -0.000 0.000 0.314 110 V C 0.451 176.725 176.094 0.300 0.000 1.064 110 V CA 0.460 62.833 62.300 0.122 0.000 0.952 110 V CB 1.934 33.792 31.823 0.058 0.000 1.020 110 V HN 1.316 nan 8.190 nan 0.000 0.439 111 G N 2.741 111.679 108.800 0.231 0.000 2.687 111 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 111 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 111 G C -1.294 173.687 174.900 0.134 0.000 1.420 111 G CA -0.585 44.686 45.100 0.285 0.000 0.796 111 G HN 0.763 nan 8.290 nan 0.000 0.485 112 V N 1.503 121.379 119.914 -0.063 0.000 2.493 112 V HA 0.086 4.205 4.120 -0.000 0.000 0.292 112 V C 0.264 176.296 176.094 -0.104 0.000 1.016 112 V CA -0.063 62.081 62.300 -0.260 0.000 1.097 112 V CB 1.130 32.669 31.823 -0.475 0.000 0.947 112 V HN 0.649 nan 8.190 nan 0.000 0.479 113 D N 4.110 124.471 120.400 -0.064 0.000 2.363 113 D HA 0.010 4.650 4.640 -0.000 0.000 0.263 113 D C 1.391 177.712 176.300 0.034 0.000 1.258 113 D CA 0.546 54.553 54.000 0.012 0.000 0.907 113 D CB 1.153 41.983 40.800 0.051 0.000 1.107 113 D HN 0.707 nan 8.370 nan 0.000 0.495 114 S N 2.156 117.874 115.700 0.030 0.000 2.481 114 S HA -0.131 4.338 4.470 -0.000 0.000 0.231 114 S C 1.036 175.663 174.600 0.045 0.000 0.996 114 S CA 0.230 58.457 58.200 0.044 0.000 0.942 114 S CB 0.251 63.478 63.200 0.046 0.000 0.768 114 S HN 0.485 nan 8.310 nan 0.000 0.520 115 D N 2.510 122.934 120.400 0.039 0.000 3.072 115 D HA 0.216 4.856 4.640 -0.000 0.000 0.250 115 D C 0.087 176.403 176.300 0.026 0.000 1.304 115 D CA 0.169 54.187 54.000 0.029 0.000 0.861 115 D CB 0.223 41.038 40.800 0.025 0.000 1.062 115 D HN 0.643 nan 8.370 nan 0.000 0.481 116 T N -3.312 111.259 114.554 0.029 0.000 2.778 116 T HA 0.214 4.564 4.350 -0.000 0.000 0.293 116 T C 0.949 175.611 174.700 -0.064 0.000 1.144 116 T CA -0.679 61.419 62.100 -0.003 0.000 1.010 116 T CB 0.938 69.855 68.868 0.081 0.000 1.325 116 T HN -0.173 nan 8.240 nan 0.000 0.515 117 I N -0.328 120.105 120.570 -0.228 0.000 2.493 117 I HA 0.201 4.371 4.170 -0.000 0.000 0.254 117 I C 1.491 177.460 176.117 -0.248 0.000 1.160 117 I CA 0.172 61.292 61.300 -0.299 0.000 1.445 117 I CB -0.640 37.078 38.000 -0.470 0.000 1.086 117 I HN 0.727 nan 8.210 nan 0.000 0.433 118 W N 0.602 121.887 121.300 -0.027 0.000 2.632 118 W HA -0.126 4.534 4.660 -0.000 0.000 0.248 118 W C 2.364 178.880 176.519 -0.006 0.000 1.259 118 W CA 0.377 57.700 57.345 -0.036 0.000 1.288 118 W CB -0.801 28.605 29.460 -0.090 0.000 1.136 118 W HN 0.225 nan 8.180 nan 0.000 0.640 119 N N 1.589 120.391 118.700 0.171 0.000 2.039 119 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 119 N C 1.223 176.837 175.510 0.172 0.000 1.044 119 N CA 1.864 55.003 53.050 0.150 0.000 0.847 119 N CB -0.072 38.478 38.487 0.105 0.000 1.030 119 N HN 0.147 nan 8.380 nan 0.000 0.422 120 E N -0.042 120.241 120.200 0.138 0.000 2.274 120 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 120 E C 2.006 178.625 176.600 0.031 0.000 0.996 120 E CA 0.220 56.706 56.400 0.144 0.000 0.840 120 E CB 0.091 29.898 29.700 0.178 0.000 0.772 120 E HN 0.165 nan 8.360 nan 0.000 0.491 121 V N 0.141 120.101 119.914 0.077 0.000 2.323 121 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 121 V C 2.164 178.297 176.094 0.066 0.000 1.041 121 V CA 2.100 64.443 62.300 0.072 0.000 1.025 121 V CB -0.497 31.455 31.823 0.214 0.000 0.656 121 V HN 0.363 nan 8.190 nan 0.000 0.451 122 H N 0.193 119.294 119.070 0.051 0.000 2.421 122 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 122 H C 2.373 177.694 175.328 -0.012 0.000 1.087 122 H CA 1.830 57.885 56.048 0.010 0.000 1.330 122 H CB 0.009 29.778 29.762 0.011 0.000 1.388 122 H HN 0.346 nan 8.280 nan 0.000 0.526 123 S N -0.082 115.623 115.700 0.008 0.000 2.356 123 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 123 S C 2.403 176.879 174.600 -0.207 0.000 1.032 123 S CA 0.902 59.092 58.200 -0.017 0.000 1.005 123 S CB -0.589 62.724 63.200 0.188 0.000 0.867 123 S HN 0.683 nan 8.310 nan 0.000 0.449 124 A N 1.232 123.729 122.820 -0.538 0.000 1.978 124 A HA 0.037 4.357 4.320 -0.000 0.000 0.220 124 A C 2.248 179.745 177.584 -0.145 0.000 1.170 124 A CA 1.772 53.414 52.037 -0.657 0.000 0.636 124 A CB -1.214 17.376 19.000 -0.683 0.000 0.810 124 A HN 0.530 nan 8.150 nan 0.000 0.448 125 G N -0.802 107.907 108.800 -0.153 0.000 2.394 125 G HA2 0.112 4.072 3.960 -0.000 0.000 0.215 125 G HA3 0.112 4.072 3.960 -0.000 0.000 0.215 125 G C 1.709 176.521 174.900 -0.145 0.000 1.165 125 G CA 1.101 46.132 45.100 -0.115 0.000 0.784 125 G HN 0.754 nan 8.290 nan 0.000 0.535 126 A N 1.177 123.845 122.820 -0.255 0.000 1.972 126 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 126 A C 2.749 180.314 177.584 -0.032 0.000 1.169 126 A CA 2.114 54.035 52.037 -0.194 0.000 0.635 126 A CB -0.616 18.246 19.000 -0.230 0.000 0.810 126 A HN 0.699 nan 8.150 nan 0.000 0.446 127 A N -0.105 122.751 122.820 0.060 0.000 1.898 127 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 127 A C 2.223 179.954 177.584 0.246 0.000 1.181 127 A CA 1.700 53.870 52.037 0.221 0.000 0.620 127 A CB -0.456 18.755 19.000 0.351 0.000 0.819 127 A HN 0.581 nan 8.150 nan 0.000 0.442 128 R N -0.835 119.770 120.500 0.175 0.000 2.092 128 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 128 R C 1.962 178.232 176.300 -0.050 0.000 1.119 128 R CA 1.534 57.615 56.100 -0.032 0.000 0.970 128 R CB -0.368 29.882 30.300 -0.083 0.000 0.864 128 R HN 0.407 nan 8.270 nan 0.000 0.440 129 L N 0.653 121.852 121.223 -0.040 0.000 2.056 129 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 129 L C 2.254 179.101 176.870 -0.039 0.000 1.078 129 L CA 2.097 56.902 54.840 -0.058 0.000 0.749 129 L CB -0.745 41.263 42.059 -0.086 0.000 0.901 129 L HN 0.251 nan 8.230 nan 0.000 0.433 130 A N -1.081 121.733 122.820 -0.010 0.000 1.902 130 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 130 A C 2.258 179.854 177.584 0.021 0.000 1.181 130 A CA 1.981 54.022 52.037 0.007 0.000 0.623 130 A CB -1.112 17.910 19.000 0.038 0.000 0.818 130 A HN 0.309 nan 8.150 nan 0.000 0.443 131 V N -0.051 119.886 119.914 0.038 0.000 2.255 131 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 131 V C 2.833 178.929 176.094 0.004 0.000 1.051 131 V CA 2.138 64.459 62.300 0.035 0.000 1.018 131 V CB -1.531 30.305 31.823 0.022 0.000 0.641 131 V HN 0.609 nan 8.190 nan 0.000 0.445 132 G N -1.473 107.311 108.800 -0.027 0.000 2.422 132 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.218 132 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.218 132 G C 1.748 176.636 174.900 -0.020 0.000 1.146 132 G CA 1.221 46.298 45.100 -0.038 0.000 0.769 132 G HN 0.523 nan 8.290 nan 0.000 0.547 133 C N -0.088 119.202 119.300 -0.017 0.000 2.413 133 C HA -0.053 4.407 4.460 -0.000 0.000 0.276 133 C C 3.087 178.091 174.990 0.024 0.000 1.236 133 C CA 0.925 59.941 59.018 -0.003 0.000 1.735 133 C CB -0.938 26.792 27.740 -0.016 0.000 2.031 133 C HN 0.301 nan 8.230 nan 0.000 0.474 134 V N 0.453 120.382 119.914 0.024 0.000 2.295 134 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 134 V C 2.403 178.541 176.094 0.072 0.000 1.049 134 V CA 2.099 64.420 62.300 0.035 0.000 1.024 134 V CB -0.773 31.066 31.823 0.026 0.000 0.648 134 V HN 0.458 nan 8.190 nan 0.000 0.447 135 V N -0.254 119.704 119.914 0.074 0.000 2.332 135 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 135 V C 2.628 178.807 176.094 0.142 0.000 1.055 135 V CA 1.920 64.293 62.300 0.121 0.000 1.038 135 V CB -0.639 31.196 31.823 0.021 0.000 0.651 135 V HN 0.558 nan 8.190 nan 0.000 0.450 136 E N -0.229 120.011 120.200 0.066 0.000 2.051 136 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 136 E C 2.249 178.927 176.600 0.130 0.000 0.991 136 E CA 1.177 57.621 56.400 0.073 0.000 0.799 136 E CB -0.334 29.387 29.700 0.036 0.000 0.748 136 E HN 0.487 nan 8.360 nan 0.000 0.449 137 L N 0.679 121.968 121.223 0.111 0.000 1.994 137 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 137 L C 2.523 179.464 176.870 0.119 0.000 1.071 137 L CA 1.025 55.929 54.840 0.108 0.000 0.745 137 L CB -0.307 41.805 42.059 0.087 0.000 0.892 137 L HN 0.010 nan 8.230 nan 0.000 0.431 138 V N -0.344 119.648 119.914 0.129 0.000 2.324 138 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 138 V C 2.236 178.385 176.094 0.093 0.000 1.060 138 V CA 2.099 64.459 62.300 0.101 0.000 1.042 138 V CB -0.654 31.236 31.823 0.113 0.000 0.650 138 V HN 0.284 nan 8.190 nan 0.000 0.450 139 F N 0.250 120.216 119.950 0.028 0.000 2.206 139 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 139 F C 2.347 178.172 175.800 0.041 0.000 1.090 139 F CA 1.356 59.375 58.000 0.032 0.000 1.323 139 F CB -0.350 38.666 39.000 0.027 0.000 1.028 139 F HN 0.040 nan 8.300 nan 0.000 0.492 140 K N -0.309 120.214 120.400 0.206 0.000 2.147 140 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 140 K C 2.018 178.683 176.600 0.108 0.000 1.049 140 K CA 1.298 57.670 56.287 0.142 0.000 0.936 140 K CB -0.417 32.158 32.500 0.124 0.000 0.722 140 K HN 0.139 nan 8.250 nan 0.000 0.446 141 V N 1.154 121.115 119.914 0.080 0.000 2.346 141 V HA -0.145 3.975 4.120 -0.000 0.000 0.244 141 V C 2.240 178.357 176.094 0.039 0.000 1.037 141 V CA 1.817 64.151 62.300 0.057 0.000 1.029 141 V CB -0.473 31.370 31.823 0.033 0.000 0.663 141 V HN 0.294 nan 8.190 nan 0.000 0.454 142 A N -1.171 121.635 122.820 -0.023 0.000 2.125 142 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 142 A C 2.239 179.794 177.584 -0.049 0.000 1.156 142 A CA 2.181 54.166 52.037 -0.086 0.000 0.671 142 A CB -0.502 18.345 19.000 -0.255 0.000 0.794 142 A HN 0.472 nan 8.150 nan 0.000 0.459 143 T N -2.275 112.285 114.554 0.010 0.000 3.023 143 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 143 T C 1.287 176.031 174.700 0.074 0.000 1.038 143 T CA 1.058 63.182 62.100 0.040 0.000 0.962 143 T CB 0.201 69.115 68.868 0.077 0.000 1.018 143 T HN 1.312 nan 8.240 nan 0.000 0.521 144 G N 1.648 110.522 108.800 0.122 0.000 2.176 144 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.253 144 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.253 144 G C 0.699 175.756 174.900 0.261 0.000 0.979 144 G CA 0.703 45.923 45.100 0.201 0.000 0.641 144 G HN 0.535 nan 8.290 nan 0.000 0.530 145 E N -0.593 119.722 120.200 0.190 0.000 2.110 145 E HA 0.117 4.466 4.350 -0.000 0.000 0.193 145 E C 1.062 177.807 176.600 0.242 0.000 0.988 145 E CA 0.709 57.221 56.400 0.186 0.000 0.804 145 E CB -0.015 29.764 29.700 0.132 0.000 0.745 145 E HN 0.608 nan 8.360 nan 0.000 0.458 146 L N -0.271 121.066 121.223 0.190 0.000 2.323 146 L HA 0.292 4.632 4.340 -0.000 0.000 0.265 146 L C 0.807 177.632 176.870 -0.075 0.000 1.012 146 L CA -0.639 54.234 54.840 0.055 0.000 0.820 146 L CB 1.679 43.754 42.059 0.026 0.000 1.334 146 L HN -0.154 nan 8.230 nan 0.000 0.427 147 K N 0.667 120.743 120.400 -0.539 0.000 2.044 147 K HA 0.085 4.405 4.320 -0.000 0.000 0.204 147 K C 0.356 176.835 176.600 -0.201 0.000 1.049 147 K CA 1.039 56.933 56.287 -0.654 0.000 0.945 147 K CB 0.331 32.193 32.500 -1.064 0.000 0.724 147 K HN 0.539 nan 8.250 nan 0.000 0.440 148 N N -1.209 117.401 118.700 -0.150 0.000 2.525 148 N HA 0.465 5.205 4.740 -0.000 0.000 0.270 148 N C -1.590 173.929 175.510 0.016 0.000 1.321 148 N CA -0.382 52.643 53.050 -0.041 0.000 0.797 148 N CB 2.284 40.748 38.487 -0.038 0.000 1.529 148 N HN 0.270 nan 8.380 nan 0.000 0.491 149 G N -0.176 108.665 108.800 0.069 0.000 2.759 149 G HA2 0.561 4.521 3.960 -0.000 0.000 0.297 149 G HA3 0.561 4.521 3.960 -0.000 0.000 0.297 149 G C -2.153 172.861 174.900 0.191 0.000 1.434 149 G CA -0.425 44.745 45.100 0.117 0.000 0.980 149 G HN 0.295 nan 8.290 nan 0.000 0.531 150 F N 2.238 122.244 119.950 0.093 0.000 2.507 150 F HA 0.667 5.194 4.527 -0.000 0.000 0.328 150 F C 0.258 176.145 175.800 0.146 0.000 1.136 150 F CA -0.764 57.309 58.000 0.121 0.000 0.930 150 F CB 2.060 41.146 39.000 0.143 0.000 1.166 150 F HN 0.688 nan 8.300 nan 0.000 0.436 151 A N 5.992 128.723 122.820 -0.149 0.000 2.366 151 A HA 0.536 4.856 4.320 -0.000 0.000 0.322 151 A C -0.843 176.771 177.584 0.049 0.000 1.397 151 A CA -0.527 51.509 52.037 -0.003 0.000 0.984 151 A CB 0.026 18.983 19.000 -0.071 0.000 1.149 151 A HN 0.546 nan 8.150 nan 0.000 0.540 152 V N 4.275 124.406 119.914 0.362 0.000 2.229 152 V HA 0.200 4.320 4.120 -0.000 0.000 0.245 152 V C 0.179 176.457 176.094 0.307 0.000 1.243 152 V CA 0.162 62.740 62.300 0.464 0.000 1.176 152 V CB -0.204 31.986 31.823 0.611 0.000 1.323 152 V HN 0.606 nan 8.190 nan 0.000 0.499 153 V N 5.775 125.791 119.914 0.171 0.000 2.876 153 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 153 V C -0.390 175.748 176.094 0.074 0.000 1.085 153 V CA -0.753 61.596 62.300 0.081 0.000 0.945 153 V CB 2.756 34.595 31.823 0.026 0.000 1.017 153 V HN 1.045 nan 8.190 nan 0.000 0.428 154 R N 5.653 126.185 120.500 0.054 0.000 2.710 154 R HA 0.718 5.057 4.340 -0.000 0.000 0.270 154 R C -3.158 173.180 176.300 0.063 0.000 1.021 154 R CA -1.314 54.826 56.100 0.066 0.000 0.889 154 R CB 1.766 32.115 30.300 0.081 0.000 1.243 154 R HN 0.429 nan 8.270 nan 0.000 0.464 155 P HA 0.313 nan 4.420 nan 0.000 0.275 155 P C -2.381 174.985 177.300 0.109 0.000 1.266 155 P CA -1.333 61.839 63.100 0.121 0.000 0.793 155 P CB -0.219 31.592 31.700 0.185 0.000 1.074 156 P HA 0.102 nan 4.420 nan 0.000 0.271 156 P C 0.788 178.155 177.300 0.111 0.000 1.238 156 P CA 0.377 63.526 63.100 0.083 0.000 0.794 156 P CB -0.040 31.732 31.700 0.120 0.000 0.959 157 G N -1.416 107.442 108.800 0.096 0.000 2.989 157 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.221 157 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.221 157 G C 0.835 175.817 174.900 0.136 0.000 1.050 157 G CA 0.214 45.390 45.100 0.127 0.000 0.913 157 G HN 0.733 nan 8.290 nan 0.000 0.587 158 H N -1.757 117.246 119.070 -0.111 0.000 2.546 158 H HA 0.178 4.734 4.556 -0.000 0.000 0.277 158 H C 1.754 176.951 175.328 -0.219 0.000 1.004 158 H CA 0.670 56.614 56.048 -0.173 0.000 1.231 158 H CB -0.026 29.624 29.762 -0.187 0.000 1.382 158 H HN 0.286 nan 8.280 nan 0.000 0.580 159 H N 0.958 119.951 119.070 -0.128 0.000 2.562 159 H HA 0.339 4.895 4.556 -0.000 0.000 0.267 159 H C 0.863 176.098 175.328 -0.155 0.000 0.959 159 H CA 0.458 56.371 56.048 -0.225 0.000 1.204 159 H CB 0.063 29.734 29.762 -0.152 0.000 1.430 159 H HN 0.480 nan 8.280 nan 0.000 0.545 160 A N 2.249 125.078 122.820 0.014 0.000 2.484 160 A HA 0.112 4.432 4.320 -0.000 0.000 0.268 160 A C 0.466 178.057 177.584 0.011 0.000 1.114 160 A CA -0.043 51.979 52.037 -0.024 0.000 0.780 160 A CB 0.145 19.143 19.000 -0.003 0.000 1.061 160 A HN 0.321 nan 8.150 nan 0.000 0.505 161 E N 1.125 121.285 120.200 -0.067 0.000 2.302 161 E HA 0.127 4.477 4.350 -0.000 0.000 0.255 161 E C 0.806 177.365 176.600 -0.069 0.000 1.099 161 E CA -0.543 55.801 56.400 -0.093 0.000 0.929 161 E CB 0.748 30.377 29.700 -0.118 0.000 1.203 161 E HN 0.848 nan 8.360 nan 0.000 0.459 162 E N 0.275 120.407 120.200 -0.114 0.000 2.070 162 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 162 E C 0.403 176.962 176.600 -0.068 0.000 1.004 162 E CA 1.569 57.912 56.400 -0.095 0.000 0.805 162 E CB 0.126 29.762 29.700 -0.107 0.000 0.744 162 E HN 0.274 nan 8.360 nan 0.000 0.451 163 S N -0.499 115.153 115.700 -0.079 0.000 2.809 163 S HA 0.214 4.684 4.470 -0.000 0.000 0.248 163 S C -0.954 173.671 174.600 0.042 0.000 1.071 163 S CA -0.402 57.798 58.200 -0.000 0.000 1.059 163 S CB 1.567 64.802 63.200 0.059 0.000 0.923 163 S HN 0.021 nan 8.310 nan 0.000 0.516 164 T N 4.558 119.057 114.554 -0.092 0.000 3.335 164 T HA 0.348 4.698 4.350 -0.000 0.000 0.321 164 T C -3.066 171.556 174.700 -0.129 0.000 0.960 164 T CA -1.034 61.040 62.100 -0.043 0.000 1.034 164 T CB 2.416 71.244 68.868 -0.067 0.000 1.040 164 T HN -0.042 nan 8.240 nan 0.000 0.454 165 P HA 0.622 nan 4.420 nan 0.000 0.277 165 P C -0.796 176.316 177.300 -0.312 0.000 1.240 165 P CA -0.638 62.251 63.100 -0.353 0.000 0.798 165 P CB 0.823 32.115 31.700 -0.681 0.000 0.979 166 M N -2.748 116.655 119.600 -0.329 0.000 2.822 166 M HA 0.514 4.993 4.480 -0.000 0.000 0.275 166 M C 0.067 176.236 176.300 -0.218 0.000 1.084 166 M CA -0.433 54.709 55.300 -0.263 0.000 0.814 166 M CB 0.851 33.351 32.600 -0.166 0.000 1.693 166 M HN 0.445 nan 8.290 nan 0.000 0.531 167 G N 0.940 109.558 108.800 -0.302 0.000 2.356 167 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.296 167 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.296 167 G C 0.032 174.812 174.900 -0.200 0.000 1.022 167 G CA 0.852 45.732 45.100 -0.366 0.000 0.961 167 G HN 1.531 nan 8.290 nan 0.000 0.510 168 F N -4.421 115.428 119.950 -0.168 0.000 2.840 168 F HA -0.271 4.256 4.527 -0.000 0.000 0.310 168 F C 1.238 176.913 175.800 -0.209 0.000 0.688 168 F CA 0.350 58.249 58.000 -0.168 0.000 1.286 168 F CB -2.084 36.886 39.000 -0.049 0.000 1.612 168 F HN 0.499 nan 8.300 nan 0.000 0.335 169 C N 0.281 119.470 119.300 -0.185 0.000 2.322 169 C HA 0.518 4.978 4.460 -0.000 0.000 0.324 169 C C 1.362 176.050 174.990 -0.502 0.000 1.284 169 C CA -0.405 58.515 59.018 -0.164 0.000 1.606 169 C CB 0.291 28.038 27.740 0.011 0.000 2.251 169 C HN 0.386 nan 8.230 nan 0.000 0.502 170 Y N 0.125 120.263 120.300 -0.271 0.000 2.500 170 Y HA 0.378 4.928 4.550 -0.000 0.000 0.284 170 Y C 0.468 175.838 175.900 -0.883 0.000 1.118 170 Y CA 0.430 58.117 58.100 -0.688 0.000 1.241 170 Y CB 0.297 38.247 38.460 -0.850 0.000 1.171 170 Y HN 0.542 nan 8.280 nan 0.000 0.540 171 F N -0.501 119.484 119.950 0.058 0.000 2.578 171 F HA 0.268 4.795 4.527 -0.000 0.000 0.311 171 F C -0.407 175.505 175.800 0.187 0.000 1.094 171 F CA -1.280 56.722 58.000 0.003 0.000 0.923 171 F CB 1.311 40.334 39.000 0.040 0.000 1.230 171 F HN -0.283 nan 8.300 nan 0.000 0.450 172 N N 1.102 120.145 118.700 0.571 0.000 2.719 172 N HA 0.132 4.872 4.740 -0.000 0.000 0.243 172 N C 0.376 176.019 175.510 0.220 0.000 1.104 172 N CA -0.096 53.124 53.050 0.283 0.000 0.981 172 N CB 0.665 39.248 38.487 0.160 0.000 1.290 172 N HN 0.629 nan 8.380 nan 0.000 0.513 173 S N 1.404 117.211 115.700 0.179 0.000 2.365 173 S HA -0.166 4.303 4.470 -0.000 0.000 0.225 173 S C 1.876 176.534 174.600 0.097 0.000 1.039 173 S CA 1.025 59.300 58.200 0.125 0.000 1.033 173 S CB -0.058 63.192 63.200 0.083 0.000 0.887 173 S HN 0.416 nan 8.310 nan 0.000 0.447 174 V N 1.891 121.850 119.914 0.076 0.000 2.358 174 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 174 V C 2.660 178.831 176.094 0.129 0.000 1.047 174 V CA 1.612 63.951 62.300 0.066 0.000 1.035 174 V CB -1.224 30.614 31.823 0.025 0.000 0.658 174 V HN 0.559 nan 8.190 nan 0.000 0.452 175 A N -0.305 122.615 122.820 0.167 0.000 1.930 175 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 175 A C 2.390 180.101 177.584 0.212 0.000 1.175 175 A CA 1.914 54.120 52.037 0.281 0.000 0.627 175 A CB -0.598 18.462 19.000 0.099 0.000 0.815 175 A HN 0.323 nan 8.150 nan 0.000 0.443 176 V N -0.033 119.951 119.914 0.117 0.000 2.261 176 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 176 V C 3.094 179.273 176.094 0.142 0.000 1.047 176 V CA 2.011 64.370 62.300 0.097 0.000 1.015 176 V CB -1.340 30.535 31.823 0.088 0.000 0.642 176 V HN 0.614 nan 8.190 nan 0.000 0.446 177 A N -0.010 122.897 122.820 0.146 0.000 1.917 177 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 177 A C 2.406 180.100 177.584 0.182 0.000 1.182 177 A CA 2.557 54.703 52.037 0.182 0.000 0.633 177 A CB -0.868 18.216 19.000 0.141 0.000 0.819 177 A HN 0.623 nan 8.150 nan 0.000 0.448 178 A N -0.597 122.319 122.820 0.159 0.000 1.873 178 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 178 A C 2.090 179.795 177.584 0.203 0.000 1.186 178 A CA 1.698 53.809 52.037 0.123 0.000 0.616 178 A CB -0.366 18.653 19.000 0.033 0.000 0.823 178 A HN 0.375 nan 8.150 nan 0.000 0.442 179 K N -0.174 120.401 120.400 0.292 0.000 2.103 179 K HA -0.070 4.249 4.320 -0.000 0.000 0.207 179 K C 1.843 178.545 176.600 0.170 0.000 1.048 179 K CA 1.156 57.576 56.287 0.222 0.000 0.930 179 K CB -0.548 32.023 32.500 0.117 0.000 0.716 179 K HN 0.562 nan 8.250 nan 0.000 0.444 180 L N 0.444 121.790 121.223 0.205 0.000 2.131 180 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 180 L C 2.412 179.502 176.870 0.367 0.000 1.087 180 L CA 0.493 55.500 54.840 0.280 0.000 0.767 180 L CB -0.402 41.843 42.059 0.309 0.000 0.917 180 L HN 0.066 nan 8.230 nan 0.000 0.441 181 L N -0.516 120.824 121.223 0.195 0.000 2.012 181 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 181 L C 2.758 179.631 176.870 0.005 0.000 1.073 181 L CA 1.518 56.309 54.840 -0.081 0.000 0.748 181 L CB -0.534 41.420 42.059 -0.174 0.000 0.891 181 L HN 0.372 nan 8.230 nan 0.000 0.431 182 Q N -0.549 119.285 119.800 0.056 0.000 2.020 182 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 182 Q C 2.266 178.306 176.000 0.066 0.000 0.982 182 Q CA 1.685 57.521 55.803 0.056 0.000 0.838 182 Q CB -0.159 28.630 28.738 0.084 0.000 0.899 182 Q HN 0.588 nan 8.270 nan 0.000 0.423 183 Q N -0.036 119.820 119.800 0.094 0.000 2.083 183 Q HA -0.059 4.281 4.340 -0.000 0.000 0.198 183 Q C 1.989 178.045 176.000 0.095 0.000 0.969 183 Q CA 0.941 56.794 55.803 0.082 0.000 0.838 183 Q CB 0.129 28.913 28.738 0.078 0.000 0.900 183 Q HN 0.247 nan 8.270 nan 0.000 0.436 184 R N -0.385 120.208 120.500 0.156 0.000 2.189 184 R HA 0.145 4.485 4.340 -0.000 0.000 0.203 184 R C 1.405 177.803 176.300 0.163 0.000 1.012 184 R CA 0.555 56.767 56.100 0.186 0.000 1.015 184 R CB 0.448 30.930 30.300 0.302 0.000 0.938 184 R HN 0.184 nan 8.270 nan 0.000 0.472 185 L N -0.128 121.157 121.223 0.103 0.000 2.966 185 L HA 0.245 4.585 4.340 -0.000 0.000 0.262 185 L C -0.010 176.860 176.870 -0.000 0.000 1.165 185 L CA -0.191 54.664 54.840 0.025 0.000 0.978 185 L CB 0.764 42.776 42.059 -0.078 0.000 1.337 185 L HN -0.044 nan 8.230 nan 0.000 0.563 186 S N 0.650 116.358 115.700 0.014 0.000 3.549 186 S HA -0.136 4.334 4.470 -0.000 0.000 0.366 186 S C 0.459 175.049 174.600 -0.018 0.000 1.012 186 S CA 0.081 58.282 58.200 0.003 0.000 1.141 186 S CB -1.649 61.554 63.200 0.005 0.000 0.910 186 S HN 0.181 nan 8.310 nan 0.000 0.471 187 V N 2.045 121.939 119.914 -0.033 0.000 2.485 187 V HA 0.023 4.143 4.120 -0.000 0.000 0.287 187 V C 1.555 177.628 176.094 -0.035 0.000 1.022 187 V CA 0.742 63.014 62.300 -0.048 0.000 1.067 187 V CB 1.230 33.009 31.823 -0.074 0.000 0.967 187 V HN 0.682 nan 8.190 nan 0.000 0.479 188 S N 3.873 119.546 115.700 -0.044 0.000 2.387 188 S HA 0.039 4.509 4.470 -0.000 0.000 0.226 188 S C 0.627 175.195 174.600 -0.054 0.000 1.026 188 S CA 0.848 59.018 58.200 -0.051 0.000 0.972 188 S CB 0.027 63.187 63.200 -0.067 0.000 0.814 188 S HN 0.737 nan 8.310 nan 0.000 0.477 189 K N 0.743 121.107 120.400 -0.060 0.000 2.578 189 K HA 0.535 4.855 4.320 -0.000 0.000 0.250 189 K C -1.601 175.048 176.600 0.082 0.000 0.955 189 K CA -0.125 56.148 56.287 -0.024 0.000 0.825 189 K CB 1.870 34.177 32.500 -0.322 0.000 1.151 189 K HN 0.092 nan 8.250 nan 0.000 0.432 190 I N 3.631 124.300 120.570 0.164 0.000 2.433 190 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 190 I C -0.554 175.639 176.117 0.127 0.000 1.001 190 I CA -0.951 60.396 61.300 0.079 0.000 1.119 190 I CB 1.693 39.648 38.000 -0.074 0.000 1.289 190 I HN 0.365 nan 8.210 nan 0.000 0.438 191 L N 7.238 128.519 121.223 0.096 0.000 2.282 191 L HA 0.587 4.927 4.340 -0.000 0.000 0.288 191 L C -0.899 175.930 176.870 -0.068 0.000 1.033 191 L CA -0.527 54.311 54.840 -0.002 0.000 0.807 191 L CB 1.069 43.155 42.059 0.045 0.000 1.209 191 L HN 0.574 nan 8.230 nan 0.000 0.423 192 I N 5.769 126.285 120.570 -0.090 0.000 2.382 192 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 192 I C -0.484 175.588 176.117 -0.075 0.000 1.002 192 I CA -0.688 60.587 61.300 -0.042 0.000 1.135 192 I CB 1.916 39.950 38.000 0.057 0.000 1.288 192 I HN 0.237 nan 8.210 nan 0.000 0.448 193 V N 4.986 124.825 119.914 -0.125 0.000 2.398 193 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 193 V C -0.386 175.615 176.094 -0.155 0.000 1.026 193 V CA -0.429 61.774 62.300 -0.160 0.000 0.868 193 V CB 1.870 33.618 31.823 -0.125 0.000 0.982 193 V HN 0.626 nan 8.190 nan 0.000 0.443 194 D N 4.651 125.015 120.400 -0.060 0.000 2.461 194 D HA 0.252 4.892 4.640 -0.000 0.000 0.240 194 D C -0.066 176.400 176.300 0.277 0.000 1.094 194 D CA -0.610 53.429 54.000 0.066 0.000 0.868 194 D CB 1.265 42.207 40.800 0.236 0.000 1.062 194 D HN 0.617 nan 8.370 nan 0.000 0.530 195 W N 3.357 124.813 121.300 0.261 0.000 2.991 195 W HA 0.373 5.033 4.660 -0.000 0.000 0.391 195 W C 0.115 176.873 176.519 0.399 0.000 1.054 195 W CA -0.977 56.620 57.345 0.420 0.000 1.856 195 W CB -0.847 28.956 29.460 0.570 0.000 1.132 195 W HN 0.125 nan 8.180 nan 0.000 0.601 196 D N 1.528 122.248 120.400 0.534 0.000 2.506 196 D HA -0.132 4.508 4.640 -0.000 0.000 0.234 196 D C 1.321 177.922 176.300 0.502 0.000 1.143 196 D CA 0.440 54.679 54.000 0.400 0.000 0.871 196 D CB 2.253 43.178 40.800 0.209 0.000 1.190 196 D HN 0.034 nan 8.370 nan 0.000 0.459 197 V N 4.129 124.266 119.914 0.372 0.000 2.720 197 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 197 V C 0.218 176.488 176.094 0.294 0.000 1.082 197 V CA 1.554 64.018 62.300 0.274 0.000 1.101 197 V CB -0.558 31.258 31.823 -0.012 0.000 0.693 197 V HN 0.486 nan 8.190 nan 0.000 0.479 198 H N -0.660 118.772 119.070 0.604 0.000 2.463 198 H HA 0.367 4.923 4.556 -0.000 0.000 0.332 198 H C 0.258 175.875 175.328 0.481 0.000 1.127 198 H CA -0.585 55.827 56.048 0.605 0.000 1.238 198 H CB 0.448 30.596 29.762 0.643 0.000 1.478 198 H HN 0.350 nan 8.280 nan 0.000 0.499 199 H N 1.843 121.060 119.070 0.245 0.000 3.034 199 H HA -0.000 4.556 4.556 -0.000 0.000 0.324 199 H C 0.347 175.647 175.328 -0.047 0.000 1.015 199 H CA -0.080 55.882 56.048 -0.143 0.000 1.429 199 H CB 0.544 30.008 29.762 -0.497 0.000 1.429 199 H HN 0.954 nan 8.280 nan 0.000 0.585 200 G N 5.340 113.888 108.800 -0.420 0.000 2.985 200 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.282 200 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.282 200 G C 1.178 175.643 174.900 -0.725 0.000 0.791 200 G CA -0.374 44.428 45.100 -0.497 0.000 1.934 200 G HN 0.862 nan 8.290 nan 0.000 0.563 201 N N 1.772 120.067 118.700 -0.675 0.000 2.223 201 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 201 N C 2.061 177.387 175.510 -0.307 0.000 1.016 201 N CA 1.376 54.170 53.050 -0.427 0.000 0.863 201 N CB -0.365 38.007 38.487 -0.191 0.000 0.983 201 N HN 0.350 nan 8.380 nan 0.000 0.429 202 G N 0.927 109.564 108.800 -0.272 0.000 2.433 202 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 202 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 202 G C 1.538 176.283 174.900 -0.258 0.000 1.186 202 G CA 1.699 46.673 45.100 -0.210 0.000 0.779 202 G HN 0.401 nan 8.290 nan 0.000 0.543 203 T N 0.499 114.875 114.554 -0.297 0.000 2.684 203 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 203 T C 2.261 176.663 174.700 -0.497 0.000 1.036 203 T CA 1.658 63.553 62.100 -0.341 0.000 1.148 203 T CB -0.335 68.297 68.868 -0.394 0.000 0.863 203 T HN 0.452 nan 8.240 nan 0.000 0.436 204 Q N 0.874 120.242 119.800 -0.721 0.000 2.045 204 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 204 Q C 2.483 178.429 176.000 -0.090 0.000 0.991 204 Q CA 1.934 57.544 55.803 -0.322 0.000 0.851 204 Q CB -0.213 28.491 28.738 -0.056 0.000 0.911 204 Q HN 0.643 nan 8.270 nan 0.000 0.418 205 Q N -0.606 119.076 119.800 -0.197 0.000 2.084 205 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 205 Q C 1.937 177.832 176.000 -0.175 0.000 0.978 205 Q CA 1.486 57.180 55.803 -0.182 0.000 0.844 205 Q CB -0.276 28.338 28.738 -0.206 0.000 0.898 205 Q HN 0.511 nan 8.270 nan 0.000 0.426 206 A N -0.327 122.308 122.820 -0.308 0.000 1.972 206 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 206 A C 0.942 178.085 177.584 -0.736 0.000 1.169 206 A CA 1.137 52.816 52.037 -0.595 0.000 0.635 206 A CB -0.275 18.214 19.000 -0.851 0.000 0.810 206 A HN 0.485 nan 8.150 nan 0.000 0.446 207 F N -3.651 116.277 119.950 -0.038 0.000 2.735 207 F HA 0.271 4.798 4.527 -0.000 0.000 0.308 207 F C 1.154 176.997 175.800 0.072 0.000 1.112 207 F CA -1.020 56.982 58.000 0.004 0.000 1.235 207 F CB -0.358 38.635 39.000 -0.012 0.000 1.027 207 F HN 0.286 nan 8.300 nan 0.000 0.528 208 Y N 1.130 121.465 120.300 0.059 0.000 2.224 208 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 208 Y C 2.342 178.284 175.900 0.070 0.000 1.146 208 Y CA 1.687 59.828 58.100 0.068 0.000 1.182 208 Y CB 0.259 38.732 38.460 0.021 0.000 0.983 208 Y HN 0.122 nan 8.280 nan 0.000 0.524 209 S N -1.276 114.471 115.700 0.078 0.000 2.582 209 S HA 0.079 4.549 4.470 -0.000 0.000 0.234 209 S C -0.363 174.238 174.600 0.002 0.000 0.961 209 S CA -0.325 57.874 58.200 -0.001 0.000 0.953 209 S CB 0.027 63.245 63.200 0.030 0.000 0.800 209 S HN 0.279 nan 8.310 nan 0.000 0.471 210 D N 2.555 122.977 120.400 0.037 0.000 2.414 210 D HA 0.369 5.009 4.640 -0.000 0.000 0.232 210 D C -1.862 174.394 176.300 -0.073 0.000 1.070 210 D CA -2.318 51.699 54.000 0.027 0.000 0.839 210 D CB 2.133 43.026 40.800 0.155 0.000 1.079 210 D HN 0.024 nan 8.370 nan 0.000 0.521 211 P HA -0.038 nan 4.420 nan 0.000 0.241 211 P C 0.867 177.828 177.300 -0.564 0.000 1.191 211 P CA 0.340 62.991 63.100 -0.748 0.000 0.771 211 P CB 0.208 31.412 31.700 -0.827 0.000 0.929 212 S N -0.750 114.835 115.700 -0.192 0.000 2.496 212 S HA 0.061 4.531 4.470 -0.000 0.000 0.224 212 S C 0.923 175.579 174.600 0.094 0.000 0.996 212 S CA 0.082 58.266 58.200 -0.027 0.000 0.927 212 S CB -0.995 62.193 63.200 -0.020 0.000 0.774 212 S HN 0.111 nan 8.310 nan 0.000 0.524 213 V N 0.395 120.303 119.914 -0.010 0.000 2.444 213 V HA 0.718 4.838 4.120 -0.000 0.000 0.294 213 V C -0.721 175.281 176.094 -0.154 0.000 1.022 213 V CA -1.272 60.967 62.300 -0.102 0.000 0.850 213 V CB 1.349 32.893 31.823 -0.464 0.000 0.992 213 V HN 0.267 nan 8.190 nan 0.000 0.426 214 L N 7.208 128.200 121.223 -0.384 0.000 2.315 214 L HA 0.479 4.819 4.340 -0.000 0.000 0.283 214 L C -0.747 176.018 176.870 -0.174 0.000 1.089 214 L CA -0.071 54.508 54.840 -0.434 0.000 0.833 214 L CB 0.370 41.769 42.059 -1.099 0.000 1.170 214 L HN 0.838 nan 8.230 nan 0.000 0.442 215 Y N 6.460 126.675 120.300 -0.141 0.000 2.328 215 Y HA 0.624 5.174 4.550 -0.000 0.000 0.337 215 Y C -0.704 175.156 175.900 -0.066 0.000 1.008 215 Y CA -0.860 57.194 58.100 -0.076 0.000 1.129 215 Y CB 1.080 39.567 38.460 0.044 0.000 1.185 215 Y HN 0.592 nan 8.280 nan 0.000 0.476 216 M N 6.197 125.380 119.600 -0.694 0.000 2.093 216 M HA 0.243 4.723 4.480 -0.000 0.000 0.297 216 M C -0.844 175.079 176.300 -0.629 0.000 0.938 216 M CA -0.498 54.450 55.300 -0.586 0.000 0.920 216 M CB 1.883 34.235 32.600 -0.412 0.000 1.517 216 M HN 0.545 nan 8.290 nan 0.000 0.427 217 S N 3.572 118.980 115.700 -0.486 0.000 2.451 217 S HA 0.753 5.223 4.470 -0.000 0.000 0.301 217 S C -0.982 173.693 174.600 0.125 0.000 1.116 217 S CA -0.642 57.529 58.200 -0.049 0.000 1.093 217 S CB 0.626 64.004 63.200 0.296 0.000 1.017 217 S HN 0.577 nan 8.310 nan 0.000 0.482 218 L N 7.527 128.893 121.223 0.238 0.000 2.272 218 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 218 L C 0.238 177.393 176.870 0.476 0.000 1.032 218 L CA -0.271 54.686 54.840 0.195 0.000 0.810 218 L CB 1.111 43.318 42.059 0.246 0.000 1.205 218 L HN 0.734 nan 8.230 nan 0.000 0.422 219 H N 1.819 121.124 119.070 0.392 0.000 3.042 219 H HA 0.385 4.941 4.556 -0.000 0.000 0.346 219 H C -1.151 174.503 175.328 0.544 0.000 1.294 219 H CA -1.170 55.174 56.048 0.494 0.000 1.141 219 H CB 1.288 31.324 29.762 0.457 0.000 1.872 219 H HN 0.512 nan 8.280 nan 0.000 0.541 220 R N 1.588 122.401 120.500 0.522 0.000 2.351 220 R HA 0.079 4.419 4.340 -0.000 0.000 0.318 220 R C -0.594 176.013 176.300 0.512 0.000 1.055 220 R CA 0.105 56.380 56.100 0.291 0.000 0.968 220 R CB 0.094 30.062 30.300 -0.553 0.000 0.974 220 R HN 0.731 nan 8.270 nan 0.000 0.439 221 Y N 3.014 123.499 120.300 0.309 0.000 2.594 221 Y HA 0.077 4.627 4.550 -0.000 0.000 0.283 221 Y C -0.034 176.002 175.900 0.228 0.000 1.140 221 Y CA -0.014 58.279 58.100 0.322 0.000 1.261 221 Y CB 0.874 39.467 38.460 0.223 0.000 1.358 221 Y HN 0.694 nan 8.280 nan 0.000 0.513 222 D N 2.848 123.324 120.400 0.127 0.000 2.697 222 D HA -0.229 4.411 4.640 -0.000 0.000 0.235 222 D C -0.711 175.482 176.300 -0.178 0.000 1.167 222 D CA 1.686 55.694 54.000 0.013 0.000 0.656 222 D CB -1.441 39.380 40.800 0.035 0.000 1.025 222 D HN 0.559 nan 8.370 nan 0.000 0.419 223 D N -1.039 119.186 120.400 -0.293 0.000 2.701 223 D HA -0.186 4.454 4.640 -0.000 0.000 0.235 223 D C 1.301 177.273 176.300 -0.547 0.000 1.155 223 D CA 2.150 55.941 54.000 -0.349 0.000 0.649 223 D CB -1.294 39.471 40.800 -0.058 0.000 1.050 223 D HN 0.869 nan 8.370 nan 0.000 0.425 224 G N -0.459 107.681 108.800 -1.101 0.000 2.157 224 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.239 224 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.239 224 G C 0.740 175.517 174.900 -0.205 0.000 0.982 224 G CA 0.256 45.023 45.100 -0.555 0.000 0.650 224 G HN 0.434 nan 8.290 nan 0.000 0.527 225 N N -0.656 117.962 118.700 -0.136 0.000 2.236 225 N HA 0.240 4.980 4.740 -0.000 0.000 0.196 225 N C -0.283 175.323 175.510 0.160 0.000 1.114 225 N CA 0.074 53.134 53.050 0.017 0.000 0.859 225 N CB 0.534 39.037 38.487 0.026 0.000 0.982 225 N HN 0.399 nan 8.380 nan 0.000 0.493 226 F N 0.668 120.628 119.950 0.016 0.000 2.508 226 F HA 0.376 4.903 4.527 -0.000 0.000 0.325 226 F C -0.148 175.772 175.800 0.199 0.000 1.090 226 F CA -1.577 56.501 58.000 0.131 0.000 0.945 226 F CB 0.900 39.988 39.000 0.147 0.000 1.156 226 F HN -0.174 nan 8.300 nan 0.000 0.463 227 F N 8.035 127.725 119.950 -0.433 0.000 2.607 227 F HA 0.209 4.736 4.527 -0.000 0.000 0.374 227 F C -1.410 174.367 175.800 -0.038 0.000 1.104 227 F CA -1.239 56.592 58.000 -0.281 0.000 1.296 227 F CB 0.728 39.463 39.000 -0.441 0.000 1.085 227 F HN 0.365 nan 8.300 nan 0.000 0.584 228 P HA 0.156 nan 4.420 nan 0.000 0.249 228 P C 0.712 177.734 177.300 -0.462 0.000 1.229 228 P CA 1.226 63.537 63.100 -1.314 0.000 0.788 228 P CB 0.350 31.288 31.700 -1.270 0.000 1.072 229 G N -0.022 108.690 108.800 -0.146 0.000 2.176 229 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.232 229 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.232 229 G C 0.317 175.268 174.900 0.084 0.000 0.986 229 G CA 0.274 45.361 45.100 -0.022 0.000 0.643 229 G HN 0.598 nan 8.290 nan 0.000 0.522 230 S N -0.871 114.874 115.700 0.075 0.000 2.745 230 S HA 0.775 5.245 4.470 -0.000 0.000 0.292 230 S C 1.050 175.542 174.600 -0.180 0.000 1.133 230 S CA 0.187 58.424 58.200 0.061 0.000 0.998 230 S CB 1.975 65.236 63.200 0.101 0.000 1.087 230 S HN 2.189 nan 8.310 nan 0.000 0.551 231 G N -0.709 107.752 108.800 -0.566 0.000 2.288 231 G HA2 0.273 4.233 3.960 -0.000 0.000 0.205 231 G HA3 0.273 4.233 3.960 -0.000 0.000 0.205 231 G C 0.095 174.609 174.900 -0.645 0.000 1.071 231 G CA -0.375 44.061 45.100 -1.107 0.000 0.788 231 G HN 1.319 nan 8.290 nan 0.000 0.491 232 A N 0.202 122.673 122.820 -0.581 0.000 2.386 232 A HA 0.748 5.068 4.320 -0.000 0.000 0.248 232 A C -0.076 177.318 177.584 -0.318 0.000 1.082 232 A CA -0.427 51.207 52.037 -0.671 0.000 0.789 232 A CB 0.577 19.453 19.000 -0.207 0.000 1.025 232 A HN 0.126 nan 8.150 nan 0.000 0.490 233 P HA -0.151 nan 4.420 nan 0.000 0.218 233 P C 0.670 177.978 177.300 0.013 0.000 1.148 233 P CA 1.318 64.366 63.100 -0.087 0.000 0.822 233 P CB 0.118 31.773 31.700 -0.075 0.000 0.784 234 D N 0.178 120.575 120.400 -0.006 0.000 2.170 234 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 234 D C 0.396 176.739 176.300 0.072 0.000 1.004 234 D CA 1.077 55.095 54.000 0.030 0.000 0.860 234 D CB -0.587 40.232 40.800 0.031 0.000 0.931 234 D HN 0.333 nan 8.370 nan 0.000 0.448 235 E N -0.102 120.155 120.200 0.094 0.000 1.985 235 E HA 0.105 4.455 4.350 -0.000 0.000 0.268 235 E C 0.996 177.756 176.600 0.267 0.000 1.219 235 E CA -0.258 56.273 56.400 0.218 0.000 0.942 235 E CB 0.892 30.697 29.700 0.176 0.000 1.045 235 E HN 0.106 nan 8.360 nan 0.000 0.413 236 V N 0.585 120.589 119.914 0.150 0.000 3.528 236 V HA 0.492 4.612 4.120 -0.000 0.000 0.294 236 V C 0.696 176.659 176.094 -0.219 0.000 1.404 236 V CA 0.305 62.607 62.300 0.004 0.000 1.065 236 V CB -0.148 31.559 31.823 -0.194 0.000 0.904 236 V HN 0.651 nan 8.190 nan 0.000 0.435 237 G N 0.561 109.028 108.800 -0.556 0.000 2.497 237 G HA2 0.277 4.237 3.960 -0.000 0.000 0.686 237 G HA3 0.277 4.237 3.960 -0.000 0.000 0.686 237 G C -0.453 174.005 174.900 -0.736 0.000 1.288 237 G CA -0.162 44.245 45.100 -1.156 0.000 0.899 237 G HN 1.178 nan 8.290 nan 0.000 0.608 238 T N -1.315 112.909 114.554 -0.550 0.000 2.907 238 T HA 0.948 5.298 4.350 -0.000 0.000 0.290 238 T C 1.502 176.145 174.700 -0.094 0.000 1.066 238 T CA 0.665 62.670 62.100 -0.158 0.000 1.012 238 T CB 1.356 70.239 68.868 0.024 0.000 1.184 238 T HN 2.748 nan 8.240 nan 0.000 0.522 239 G N 1.913 110.690 108.800 -0.038 0.000 2.652 239 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.318 239 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.318 239 G C -1.292 173.593 174.900 -0.025 0.000 1.295 239 G CA 0.274 45.362 45.100 -0.020 0.000 0.999 239 G HN 0.799 nan 8.290 nan 0.000 0.548 240 P HA 0.060 nan 4.420 nan 0.000 0.228 240 P C 1.471 178.770 177.300 -0.001 0.000 1.151 240 P CA 1.945 65.038 63.100 -0.013 0.000 0.770 240 P CB -0.478 31.204 31.700 -0.030 0.000 0.786 241 G N -0.046 108.741 108.800 -0.022 0.000 3.088 241 G HA2 0.104 4.064 3.960 -0.000 0.000 0.212 241 G HA3 0.104 4.064 3.960 -0.000 0.000 0.212 241 G C 0.366 175.279 174.900 0.022 0.000 1.173 241 G CA -0.134 44.978 45.100 0.020 0.000 0.779 241 G HN 0.125 nan 8.290 nan 0.000 0.540 242 V N 0.879 120.743 119.914 -0.083 0.000 2.540 242 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 242 V C 1.627 177.388 176.094 -0.554 0.000 1.024 242 V CA 1.530 63.642 62.300 -0.312 0.000 1.105 242 V CB 0.459 32.132 31.823 -0.250 0.000 0.938 242 V HN 0.677 nan 8.190 nan 0.000 0.482 243 G N 4.579 112.843 108.800 -0.892 0.000 2.258 243 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.233 243 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.233 243 G C 0.309 175.023 174.900 -0.309 0.000 1.006 243 G CA 0.311 44.815 45.100 -0.994 0.000 0.620 243 G HN 0.629 nan 8.290 nan 0.000 0.511 244 F N 1.953 121.885 119.950 -0.029 0.000 2.645 244 F HA 0.401 4.928 4.527 -0.000 0.000 0.300 244 F C 1.038 176.864 175.800 0.044 0.000 1.115 244 F CA -0.070 57.977 58.000 0.079 0.000 1.355 244 F CB 0.527 39.525 39.000 -0.002 0.000 1.026 244 F HN 0.130 nan 8.300 nan 0.000 0.536 245 N N 1.084 119.898 118.700 0.190 0.000 2.483 245 N HA 0.333 5.072 4.740 -0.000 0.000 0.267 245 N C -1.643 173.980 175.510 0.188 0.000 0.998 245 N CA -0.010 53.181 53.050 0.235 0.000 0.918 245 N CB 1.856 40.515 38.487 0.286 0.000 1.215 245 N HN -0.190 nan 8.380 nan 0.000 0.500 246 V N 3.763 123.667 119.914 -0.018 0.000 2.350 246 V HA 0.299 4.419 4.120 -0.000 0.000 0.285 246 V C -0.139 175.872 176.094 -0.139 0.000 1.014 246 V CA -0.833 61.325 62.300 -0.236 0.000 0.831 246 V CB 0.842 32.335 31.823 -0.551 0.000 1.000 246 V HN 0.593 nan 8.190 nan 0.000 0.433 247 N N 4.377 123.065 118.700 -0.020 0.000 2.645 247 N HA 0.275 5.015 4.740 -0.000 0.000 0.233 247 N C 0.146 175.531 175.510 -0.208 0.000 1.058 247 N CA -0.599 52.449 53.050 -0.003 0.000 0.942 247 N CB 0.708 39.229 38.487 0.056 0.000 1.210 247 N HN 0.636 nan 8.380 nan 0.000 0.512 248 M N 3.305 122.723 119.600 -0.305 0.000 3.447 248 M HA 0.152 4.632 4.480 -0.000 0.000 0.217 248 M C -0.382 175.463 176.300 -0.757 0.000 1.597 248 M CA -0.529 54.471 55.300 -0.499 0.000 1.695 248 M CB -0.927 31.388 32.600 -0.474 0.000 1.196 248 M HN 0.345 nan 8.290 nan 0.000 0.538 249 A N 3.991 126.397 122.820 -0.689 0.000 2.347 249 A HA 0.479 4.799 4.320 -0.000 0.000 0.287 249 A C -0.783 176.549 177.584 -0.420 0.000 1.199 249 A CA -0.424 51.204 52.037 -0.681 0.000 0.851 249 A CB -0.388 18.308 19.000 -0.507 0.000 1.118 249 A HN 0.662 nan 8.150 nan 0.000 0.525 250 F N 1.960 121.872 119.950 -0.063 0.000 2.410 250 F HA 0.437 4.964 4.527 -0.000 0.000 0.348 250 F C 1.071 176.957 175.800 0.144 0.000 1.106 250 F CA 0.575 58.605 58.000 0.051 0.000 1.163 250 F CB 1.790 40.857 39.000 0.111 0.000 1.129 250 F HN 0.482 nan 8.300 nan 0.000 0.516 251 T N 0.920 115.648 114.554 0.289 0.000 2.916 251 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 251 T C 0.438 175.234 174.700 0.160 0.000 1.064 251 T CA -0.102 62.127 62.100 0.214 0.000 1.011 251 T CB 1.717 70.698 68.868 0.189 0.000 1.152 251 T HN 0.852 nan 8.240 nan 0.000 0.510 252 G N 0.125 108.994 108.800 0.114 0.000 2.184 252 G HA2 0.258 4.218 3.960 -0.000 0.000 0.206 252 G HA3 0.258 4.218 3.960 -0.000 0.000 0.206 252 G C 0.788 175.732 174.900 0.073 0.000 0.995 252 G CA 0.339 45.488 45.100 0.082 0.000 0.651 252 G HN 1.767 nan 8.290 nan 0.000 0.511 253 G N -0.418 108.434 108.800 0.087 0.000 2.539 253 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.256 253 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.256 253 G C 0.316 175.271 174.900 0.091 0.000 1.233 253 G CA 0.105 45.249 45.100 0.075 0.000 0.936 253 G HN 1.280 nan 8.290 nan 0.000 0.571 254 L N 0.894 122.160 121.223 0.072 0.000 3.048 254 L HA 0.430 4.770 4.340 -0.000 0.000 0.234 254 L C -0.096 176.797 176.870 0.037 0.000 1.318 254 L CA -0.016 54.867 54.840 0.070 0.000 1.109 254 L CB 0.581 42.687 42.059 0.079 0.000 1.480 254 L HN 0.464 nan 8.230 nan 0.000 0.495 255 D N 1.780 122.195 120.400 0.026 0.000 2.517 255 D HA 0.265 4.905 4.640 -0.000 0.000 0.301 255 D C -2.161 174.140 176.300 0.001 0.000 1.202 255 D CA -1.449 52.560 54.000 0.015 0.000 0.910 255 D CB 1.234 42.047 40.800 0.022 0.000 1.021 255 D HN 0.078 nan 8.370 nan 0.000 0.499 256 P HA 0.471 nan 4.420 nan 0.000 0.284 256 P C -2.797 174.478 177.300 -0.042 0.000 1.292 256 P CA -1.698 61.389 63.100 -0.022 0.000 0.800 256 P CB 0.062 31.742 31.700 -0.034 0.000 1.188 257 P HA 0.122 nan 4.420 nan 0.000 0.268 257 P C 0.063 177.216 177.300 -0.246 0.000 1.205 257 P CA 0.240 63.310 63.100 -0.051 0.000 0.771 257 P CB 0.033 31.746 31.700 0.022 0.000 0.858 258 M N 1.954 121.181 119.600 -0.622 0.000 2.245 258 M HA 0.346 4.826 4.480 -0.000 0.000 0.344 258 M C 1.044 177.016 176.300 -0.547 0.000 1.170 258 M CA 0.537 55.335 55.300 -0.837 0.000 1.135 258 M CB -0.473 31.127 32.600 -1.667 0.000 1.574 258 M HN 0.517 nan 8.290 nan 0.000 0.452 259 G N 1.606 110.184 108.800 -0.370 0.000 3.135 259 G HA2 0.421 4.381 3.960 -0.000 0.000 0.278 259 G HA3 0.421 4.381 3.960 -0.000 0.000 0.278 259 G C 0.007 174.754 174.900 -0.255 0.000 1.302 259 G CA -0.442 44.496 45.100 -0.270 0.000 0.880 259 G HN 0.517 nan 8.290 nan 0.000 0.574 260 D N 0.125 120.390 120.400 -0.224 0.000 2.106 260 D HA -0.133 4.507 4.640 -0.000 0.000 0.191 260 D C 2.729 178.940 176.300 -0.149 0.000 0.997 260 D CA 1.917 55.783 54.000 -0.223 0.000 0.834 260 D CB -0.508 40.166 40.800 -0.210 0.000 0.956 260 D HN 0.398 nan 8.370 nan 0.000 0.448 261 A N 0.648 123.393 122.820 -0.125 0.000 1.948 261 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 261 A C 2.076 179.635 177.584 -0.043 0.000 1.177 261 A CA 1.886 53.872 52.037 -0.085 0.000 0.636 261 A CB -0.490 18.462 19.000 -0.080 0.000 0.815 261 A HN 0.132 nan 8.150 nan 0.000 0.449 262 E N -1.375 118.794 120.200 -0.051 0.000 2.107 262 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 262 E C 1.711 178.374 176.600 0.104 0.000 0.982 262 E CA 1.177 57.566 56.400 -0.019 0.000 0.809 262 E CB -0.412 29.178 29.700 -0.184 0.000 0.756 262 E HN 0.810 nan 8.360 nan 0.000 0.459 263 Y N 0.299 120.521 120.300 -0.130 0.000 2.220 263 Y HA -0.096 4.453 4.550 -0.000 0.000 0.291 263 Y C 1.998 177.905 175.900 0.012 0.000 1.129 263 Y CA 0.566 58.660 58.100 -0.009 0.000 1.161 263 Y CB -0.015 38.345 38.460 -0.167 0.000 0.997 263 Y HN -0.024 nan 8.280 nan 0.000 0.522 264 L N -0.730 120.521 121.223 0.047 0.000 2.042 264 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 264 L C 2.691 179.610 176.870 0.082 0.000 1.076 264 L CA 1.150 55.989 54.840 -0.002 0.000 0.749 264 L CB -0.778 41.235 42.059 -0.077 0.000 0.893 264 L HN 0.226 nan 8.230 nan 0.000 0.432 265 A N -0.119 122.742 122.820 0.069 0.000 1.933 265 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 265 A C 2.521 180.159 177.584 0.090 0.000 1.175 265 A CA 1.644 53.721 52.037 0.065 0.000 0.628 265 A CB -0.628 18.399 19.000 0.046 0.000 0.814 265 A HN 0.404 nan 8.150 nan 0.000 0.444 266 A N -1.343 121.558 122.820 0.135 0.000 1.930 266 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 266 A C 1.918 179.566 177.584 0.106 0.000 1.175 266 A CA 1.371 53.464 52.037 0.093 0.000 0.627 266 A CB -0.648 18.415 19.000 0.105 0.000 0.815 266 A HN 0.419 nan 8.150 nan 0.000 0.443 267 F N -0.126 119.814 119.950 -0.017 0.000 2.102 267 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 267 F C 2.425 178.213 175.800 -0.019 0.000 1.105 267 F CA 1.631 59.627 58.000 -0.006 0.000 1.239 267 F CB -0.468 38.553 39.000 0.036 0.000 0.991 267 F HN 0.187 nan 8.300 nan 0.000 0.474 268 R N -0.125 120.477 120.500 0.171 0.000 2.083 268 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 268 R C 2.083 178.393 176.300 0.016 0.000 1.137 268 R CA 2.314 58.460 56.100 0.078 0.000 0.951 268 R CB -0.462 29.874 30.300 0.060 0.000 0.851 268 R HN 0.442 nan 8.270 nan 0.000 0.434 269 T N -3.872 110.679 114.554 -0.004 0.000 3.040 269 T HA 0.140 4.489 4.350 -0.000 0.000 0.252 269 T C 1.597 176.243 174.700 -0.091 0.000 1.064 269 T CA 0.473 62.551 62.100 -0.037 0.000 1.110 269 T CB 0.547 69.399 68.868 -0.026 0.000 0.921 269 T HN 0.062 nan 8.240 nan 0.000 0.480 270 V N 0.231 120.063 119.914 -0.138 0.000 2.950 270 V HA 0.187 4.307 4.120 -0.000 0.000 0.231 270 V C 2.620 178.520 176.094 -0.324 0.000 1.205 270 V CA 0.307 62.469 62.300 -0.229 0.000 1.239 270 V CB 0.253 31.927 31.823 -0.249 0.000 1.050 270 V HN 0.255 nan 8.190 nan 0.000 0.498 271 V N 0.199 119.891 119.914 -0.371 0.000 2.270 271 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 271 V C 2.537 178.378 176.094 -0.421 0.000 1.043 271 V CA 1.945 63.927 62.300 -0.530 0.000 1.014 271 V CB -0.528 30.699 31.823 -0.993 0.000 0.645 271 V HN 0.370 nan 8.190 nan 0.000 0.447 272 M N -0.799 118.623 119.600 -0.297 0.000 2.156 272 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 272 M C 0.107 176.328 176.300 -0.131 0.000 1.067 272 M CA 1.730 56.939 55.300 -0.152 0.000 1.131 272 M CB -2.523 30.067 32.600 -0.016 0.000 1.368 272 M HN 0.248 nan 8.290 nan 0.000 0.416 273 P HA -0.131 nan 4.420 nan 0.000 0.213 273 P C 1.880 179.070 177.300 -0.182 0.000 1.170 273 P CA 1.404 64.434 63.100 -0.117 0.000 0.902 273 P CB -0.124 31.512 31.700 -0.106 0.000 0.789 274 I N -0.937 119.418 120.570 -0.359 0.000 2.226 274 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 274 I C 2.330 178.136 176.117 -0.518 0.000 1.100 274 I CA 1.573 62.464 61.300 -0.683 0.000 1.374 274 I CB -0.814 36.535 38.000 -1.085 0.000 1.057 274 I HN -0.086 nan 8.210 nan 0.000 0.413 275 A N 0.047 122.659 122.820 -0.346 0.000 1.902 275 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 275 A C 2.484 180.072 177.584 0.007 0.000 1.181 275 A CA 2.190 54.138 52.037 -0.148 0.000 0.623 275 A CB -0.677 18.229 19.000 -0.157 0.000 0.818 275 A HN 0.388 nan 8.150 nan 0.000 0.443 276 S N -0.825 114.860 115.700 -0.025 0.000 2.368 276 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 276 S C 1.957 176.599 174.600 0.071 0.000 1.029 276 S CA 1.357 59.573 58.200 0.027 0.000 0.988 276 S CB -0.249 62.958 63.200 0.013 0.000 0.838 276 S HN 0.750 nan 8.310 nan 0.000 0.462 277 E N 0.418 120.670 120.200 0.087 0.000 2.031 277 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 277 E C 1.856 178.635 176.600 0.298 0.000 0.994 277 E CA 1.152 57.666 56.400 0.191 0.000 0.800 277 E CB -0.266 29.598 29.700 0.274 0.000 0.752 277 E HN 0.432 nan 8.360 nan 0.000 0.447 278 F N 1.202 121.282 119.950 0.215 0.000 2.087 278 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 278 F C 0.922 176.819 175.800 0.161 0.000 1.100 278 F CA 1.741 59.919 58.000 0.297 0.000 1.226 278 F CB -0.435 38.699 39.000 0.222 0.000 0.983 278 F HN 0.153 nan 8.300 nan 0.000 0.479 279 A N -0.047 122.824 122.820 0.086 0.000 2.301 279 A HA -0.150 4.170 4.320 -0.000 0.000 0.283 279 A C -2.311 175.186 177.584 -0.146 0.000 1.419 279 A CA 0.289 52.307 52.037 -0.031 0.000 0.730 279 A CB -2.633 16.337 19.000 -0.049 0.000 1.161 279 A HN 0.354 nan 8.150 nan 0.000 0.356 280 P HA 0.260 nan 4.420 nan 0.000 0.274 280 P C 0.183 177.474 177.300 -0.015 0.000 1.231 280 P CA -0.073 63.039 63.100 0.021 0.000 0.790 280 P CB 0.727 32.543 31.700 0.192 0.000 0.951 281 D N 0.135 120.517 120.400 -0.031 0.000 2.213 281 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 281 D C 0.474 176.767 176.300 -0.011 0.000 0.961 281 D CA 1.154 55.138 54.000 -0.027 0.000 0.853 281 D CB 0.372 41.145 40.800 -0.045 0.000 0.967 281 D HN 0.130 nan 8.370 nan 0.000 0.496 282 V N 0.898 120.810 119.914 -0.003 0.000 2.925 282 V HA 0.313 4.433 4.120 -0.000 0.000 0.311 282 V C -0.356 175.742 176.094 0.006 0.000 1.104 282 V CA -0.889 61.405 62.300 -0.009 0.000 0.954 282 V CB 3.068 34.865 31.823 -0.044 0.000 1.022 282 V HN -0.276 nan 8.190 nan 0.000 0.427 283 V N 5.149 125.063 119.914 0.002 0.000 2.409 283 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 283 V C -0.411 175.661 176.094 -0.036 0.000 1.020 283 V CA -0.451 61.845 62.300 -0.007 0.000 0.848 283 V CB 1.511 33.341 31.823 0.012 0.000 0.990 283 V HN 0.621 nan 8.190 nan 0.000 0.430 284 L N 5.178 126.364 121.223 -0.061 0.000 2.329 284 L HA 0.723 5.063 4.340 -0.000 0.000 0.279 284 L C -0.717 176.071 176.870 -0.137 0.000 1.014 284 L CA -0.871 53.917 54.840 -0.085 0.000 0.814 284 L CB 2.077 44.094 42.059 -0.069 0.000 1.257 284 L HN 0.343 nan 8.230 nan 0.000 0.424 285 V N 1.261 121.050 119.914 -0.207 0.000 2.444 285 V HA 0.229 4.349 4.120 -0.000 0.000 0.294 285 V C 0.181 176.048 176.094 -0.379 0.000 1.022 285 V CA -0.490 61.589 62.300 -0.369 0.000 0.850 285 V CB 1.639 33.110 31.823 -0.587 0.000 0.992 285 V HN 0.768 nan 8.190 nan 0.000 0.426 286 S N 3.094 118.597 115.700 -0.327 0.000 2.700 286 S HA 0.075 4.545 4.470 -0.000 0.000 0.321 286 S C 0.687 175.007 174.600 -0.468 0.000 1.161 286 S CA 0.128 58.137 58.200 -0.318 0.000 1.078 286 S CB 0.269 63.363 63.200 -0.177 0.000 1.302 286 S HN 0.799 nan 8.310 nan 0.000 0.540 287 S N 4.101 119.497 115.700 -0.508 0.000 3.158 287 S HA 0.437 4.907 4.470 -0.000 0.000 0.215 287 S C 0.668 174.938 174.600 -0.551 0.000 1.359 287 S CA -0.849 57.049 58.200 -0.504 0.000 0.974 287 S CB -0.513 62.488 63.200 -0.333 0.000 1.336 287 S HN 0.734 nan 8.310 nan 0.000 0.488 288 G N 1.447 110.069 108.800 -0.297 0.000 2.476 288 G HA2 0.498 4.458 3.960 -0.000 0.000 0.269 288 G HA3 0.498 4.458 3.960 -0.000 0.000 0.269 288 G C -0.192 174.503 174.900 -0.341 0.000 1.195 288 G CA -0.594 44.333 45.100 -0.289 0.000 0.843 288 G HN 0.704 nan 8.290 nan 0.000 0.545 289 F N -0.268 119.663 119.950 -0.031 0.000 2.764 289 F HA 0.139 4.666 4.527 -0.000 0.000 0.310 289 F C 1.229 176.883 175.800 -0.244 0.000 1.124 289 F CA -0.623 57.233 58.000 -0.241 0.000 1.252 289 F CB 0.987 39.864 39.000 -0.204 0.000 1.010 289 F HN 0.477 nan 8.300 nan 0.000 0.518 290 D N 0.361 120.683 120.400 -0.129 0.000 2.371 290 D HA -0.084 4.556 4.640 -0.000 0.000 0.221 290 D C 1.802 177.938 176.300 -0.274 0.000 0.986 290 D CA 0.602 54.266 54.000 -0.561 0.000 0.899 290 D CB -0.230 40.461 40.800 -0.181 0.000 0.902 290 D HN 0.230 nan 8.370 nan 0.000 0.530 291 A N 0.500 123.337 122.820 0.028 0.000 2.169 291 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 291 A C 1.212 178.904 177.584 0.180 0.000 1.153 291 A CA 0.284 52.405 52.037 0.140 0.000 0.756 291 A CB -0.304 18.816 19.000 0.200 0.000 0.813 291 A HN 0.245 nan 8.150 nan 0.000 0.471 292 V N 0.214 120.267 119.914 0.232 0.000 2.834 292 V HA 0.295 4.414 4.120 -0.000 0.000 0.301 292 V C 0.206 176.481 176.094 0.302 0.000 1.066 292 V CA -0.700 61.751 62.300 0.252 0.000 1.052 292 V CB 1.068 33.023 31.823 0.219 0.000 1.021 292 V HN 0.568 nan 8.190 nan 0.000 0.480 293 E N 3.620 123.917 120.200 0.162 0.000 2.481 293 E HA 0.375 4.725 4.350 -0.000 0.000 0.263 293 E C 0.987 177.638 176.600 0.084 0.000 0.992 293 E CA 1.190 57.659 56.400 0.116 0.000 0.938 293 E CB 0.240 29.969 29.700 0.047 0.000 0.933 293 E HN 1.546 nan 8.360 nan 0.000 0.453 294 G N 3.567 112.388 108.800 0.035 0.000 2.168 294 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.197 294 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.197 294 G C -0.491 174.260 174.900 -0.249 0.000 0.997 294 G CA 0.085 45.125 45.100 -0.101 0.000 0.658 294 G HN 0.688 nan 8.290 nan 0.000 0.513 295 H N 1.101 120.236 119.070 0.108 0.000 2.418 295 H HA 0.450 5.006 4.556 -0.000 0.000 0.238 295 H C -2.351 173.047 175.328 0.118 0.000 1.403 295 H CA -1.614 54.514 56.048 0.134 0.000 1.419 295 H CB 1.021 30.878 29.762 0.158 0.000 1.463 295 H HN 0.162 nan 8.280 nan 0.000 0.515 296 P HA -0.126 nan 4.420 nan 0.000 0.269 296 P C 1.189 178.584 177.300 0.158 0.000 1.200 296 P CA 0.445 63.623 63.100 0.131 0.000 0.779 296 P CB 0.817 32.575 31.700 0.097 0.000 0.841 297 T N 2.550 117.183 114.554 0.133 0.000 2.701 297 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 297 T C -0.619 174.219 174.700 0.230 0.000 1.032 297 T CA 2.544 64.730 62.100 0.144 0.000 1.158 297 T CB -1.715 67.222 68.868 0.115 0.000 0.854 297 T HN 0.621 nan 8.240 nan 0.000 0.463 298 P HA 0.062 nan 4.420 nan 0.000 0.215 298 P C 1.757 179.247 177.300 0.316 0.000 1.157 298 P CA 0.712 63.962 63.100 0.252 0.000 0.856 298 P CB -0.195 31.582 31.700 0.129 0.000 0.786 299 L N -0.840 120.544 121.223 0.267 0.000 2.072 299 L HA 0.153 4.493 4.340 -0.000 0.000 0.205 299 L C 1.817 178.964 176.870 0.462 0.000 1.079 299 L CA 2.456 57.486 54.840 0.318 0.000 0.752 299 L CB -1.177 41.036 42.059 0.256 0.000 0.906 299 L HN 0.076 nan 8.230 nan 0.000 0.436 300 G N -3.348 105.666 108.800 0.357 0.000 2.524 300 G HA2 0.429 4.389 3.960 -0.000 0.000 0.172 300 G HA3 0.429 4.389 3.960 -0.000 0.000 0.172 300 G C 0.916 175.805 174.900 -0.018 0.000 1.636 300 G CA 0.415 45.627 45.100 0.185 0.000 0.732 300 G HN 0.719 nan 8.290 nan 0.000 0.753 301 G N -1.128 107.711 108.800 0.064 0.000 2.254 301 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 301 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 301 G C 0.378 175.391 174.900 0.190 0.000 1.003 301 G CA 0.333 45.465 45.100 0.054 0.000 0.622 301 G HN 0.591 nan 8.290 nan 0.000 0.507 302 Y N 1.235 121.534 120.300 -0.000 0.000 2.374 302 Y HA 0.476 5.026 4.550 -0.000 0.000 0.322 302 Y C 1.086 176.971 175.900 -0.024 0.000 1.275 302 Y CA -0.357 57.712 58.100 -0.051 0.000 1.307 302 Y CB 0.964 39.361 38.460 -0.105 0.000 1.282 302 Y HN 0.271 nan 8.280 nan 0.000 0.509 303 N N 1.431 120.179 118.700 0.080 0.000 2.642 303 N HA 0.217 4.956 4.740 -0.000 0.000 0.308 303 N C -1.213 174.269 175.510 -0.047 0.000 1.914 303 N CA -0.146 52.922 53.050 0.030 0.000 0.893 303 N CB 0.423 38.919 38.487 0.015 0.000 1.322 303 N HN 0.372 nan 8.380 nan 0.000 0.490 304 L N 1.407 122.582 121.223 -0.081 0.000 2.482 304 L HA 0.128 4.468 4.340 -0.000 0.000 0.273 304 L C 1.263 178.107 176.870 -0.043 0.000 1.228 304 L CA 0.083 54.830 54.840 -0.155 0.000 0.827 304 L CB 0.442 42.334 42.059 -0.279 0.000 1.099 304 L HN 0.369 nan 8.230 nan 0.000 0.494 305 S N 0.428 116.079 115.700 -0.081 0.000 2.610 305 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 305 S C 0.869 175.489 174.600 0.034 0.000 1.274 305 S CA -0.262 57.919 58.200 -0.032 0.000 1.023 305 S CB 1.776 64.937 63.200 -0.065 0.000 0.962 305 S HN 0.683 nan 8.310 nan 0.000 0.523 306 A N 2.063 124.902 122.820 0.032 0.000 1.933 306 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 306 A C 2.265 179.873 177.584 0.039 0.000 1.175 306 A CA 1.578 53.628 52.037 0.021 0.000 0.628 306 A CB -0.838 18.111 19.000 -0.086 0.000 0.814 306 A HN 1.006 nan 8.150 nan 0.000 0.444 307 R N -1.127 119.384 120.500 0.019 0.000 2.189 307 R HA -0.046 4.293 4.340 -0.000 0.000 0.218 307 R C 2.048 178.424 176.300 0.125 0.000 1.074 307 R CA 1.236 57.377 56.100 0.069 0.000 0.991 307 R CB -1.375 28.974 30.300 0.081 0.000 0.883 307 R HN 0.404 nan 8.270 nan 0.000 0.457 308 C N 0.715 119.994 119.300 -0.036 0.000 2.413 308 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 308 C C 2.192 177.006 174.990 -0.293 0.000 1.265 308 C CA 0.501 59.402 59.018 -0.195 0.000 1.752 308 C CB -1.213 26.288 27.740 -0.399 0.000 1.998 308 C HN 0.633 nan 8.230 nan 0.000 0.489 309 F N 1.214 121.045 119.950 -0.198 0.000 2.216 309 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 309 F C 2.523 178.254 175.800 -0.114 0.000 1.085 309 F CA 1.580 59.411 58.000 -0.282 0.000 1.326 309 F CB -0.820 38.035 39.000 -0.241 0.000 1.027 309 F HN 0.353 nan 8.300 nan 0.000 0.497 310 G N -1.225 107.623 108.800 0.080 0.000 2.422 310 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 310 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 310 G C 1.334 176.156 174.900 -0.131 0.000 1.146 310 G CA 0.704 45.792 45.100 -0.020 0.000 0.769 310 G HN 0.323 nan 8.290 nan 0.000 0.547 311 Y N 0.533 120.784 120.300 -0.082 0.000 2.263 311 Y HA 0.092 4.642 4.550 -0.000 0.000 0.292 311 Y C 2.790 178.615 175.900 -0.125 0.000 1.130 311 Y CA 0.675 58.716 58.100 -0.098 0.000 1.179 311 Y CB -0.206 38.170 38.460 -0.140 0.000 0.998 311 Y HN 0.053 nan 8.280 nan 0.000 0.532 312 L N -1.057 120.084 121.223 -0.136 0.000 2.083 312 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 312 L C 2.223 179.218 176.870 0.208 0.000 1.083 312 L CA 1.632 56.301 54.840 -0.286 0.000 0.752 312 L CB -1.023 40.563 42.059 -0.787 0.000 0.899 312 L HN 0.224 nan 8.230 nan 0.000 0.433 313 T N -0.543 114.188 114.554 0.295 0.000 2.708 313 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 313 T C 1.932 176.778 174.700 0.242 0.000 1.037 313 T CA 1.511 63.864 62.100 0.421 0.000 1.146 313 T CB -0.120 68.978 68.868 0.384 0.000 0.865 313 T HN 0.130 nan 8.240 nan 0.000 0.435 314 K N 0.964 121.434 120.400 0.117 0.000 2.113 314 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 314 K C 2.537 179.209 176.600 0.121 0.000 1.047 314 K CA 1.233 57.559 56.287 0.065 0.000 0.928 314 K CB -0.108 32.366 32.500 -0.044 0.000 0.716 314 K HN 0.314 nan 8.250 nan 0.000 0.446 315 Q N 0.123 120.026 119.800 0.172 0.000 2.030 315 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 315 Q C 2.190 178.334 176.000 0.240 0.000 0.986 315 Q CA 1.768 57.709 55.803 0.229 0.000 0.843 315 Q CB -0.262 28.686 28.738 0.351 0.000 0.904 315 Q HN 0.395 nan 8.270 nan 0.000 0.420 316 L N 0.041 121.449 121.223 0.309 0.000 2.201 316 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 316 L C 2.426 179.389 176.870 0.155 0.000 1.105 316 L CA 0.645 55.630 54.840 0.242 0.000 0.775 316 L CB -0.342 41.891 42.059 0.290 0.000 0.913 316 L HN 0.291 nan 8.230 nan 0.000 0.440 317 M N -0.514 119.176 119.600 0.149 0.000 2.539 317 M HA -0.085 4.394 4.480 -0.000 0.000 0.261 317 M C 1.830 178.181 176.300 0.086 0.000 1.069 317 M CA 1.265 56.628 55.300 0.104 0.000 1.081 317 M CB -0.483 32.171 32.600 0.090 0.000 1.412 317 M HN 0.288 nan 8.290 nan 0.000 0.482 318 G N -0.147 108.709 108.800 0.094 0.000 3.026 318 G HA2 0.240 4.200 3.960 -0.000 0.000 0.208 318 G HA3 0.240 4.200 3.960 -0.000 0.000 0.208 318 G C 0.142 175.083 174.900 0.068 0.000 1.169 318 G CA 0.019 45.166 45.100 0.077 0.000 0.788 318 G HN 0.107 nan 8.290 nan 0.000 0.533 319 L N -1.242 120.024 121.223 0.071 0.000 2.303 319 L HA 0.725 5.065 4.340 -0.000 0.000 0.266 319 L C 1.027 177.928 176.870 0.053 0.000 1.011 319 L CA -0.394 54.481 54.840 0.060 0.000 0.818 319 L CB 1.395 43.491 42.059 0.063 0.000 1.326 319 L HN 0.285 nan 8.230 nan 0.000 0.435 320 A N 1.855 124.701 122.820 0.043 0.000 2.826 320 A HA -0.029 4.291 4.320 -0.000 0.000 0.274 320 A C 1.403 179.011 177.584 0.040 0.000 1.443 320 A CA 1.646 53.703 52.037 0.034 0.000 0.833 320 A CB -2.216 16.804 19.000 0.033 0.000 1.023 320 A HN 2.112 nan 8.150 nan 0.000 0.600 321 G N -2.321 106.506 108.800 0.044 0.000 2.212 321 G HA2 0.183 4.143 3.960 -0.000 0.000 0.267 321 G HA3 0.183 4.143 3.960 -0.000 0.000 0.267 321 G C 1.254 176.196 174.900 0.070 0.000 1.002 321 G CA 1.125 46.258 45.100 0.056 0.000 0.729 321 G HN 2.953 nan 8.290 nan 0.000 0.517 322 G N -1.523 107.314 108.800 0.063 0.000 2.141 322 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.231 322 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.231 322 G C 0.376 175.307 174.900 0.051 0.000 0.984 322 G CA 0.623 45.759 45.100 0.060 0.000 0.660 322 G HN 1.014 nan 8.290 nan 0.000 0.525 323 R N 0.215 120.745 120.500 0.051 0.000 2.878 323 R HA 0.497 4.837 4.340 -0.000 0.000 0.239 323 R C 0.118 176.433 176.300 0.024 0.000 1.515 323 R CA 0.126 56.248 56.100 0.038 0.000 1.210 323 R CB 0.054 30.372 30.300 0.031 0.000 1.209 323 R HN 0.502 nan 8.270 nan 0.000 0.610 324 I N 1.214 121.800 120.570 0.027 0.000 2.608 324 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 324 I C -1.124 175.005 176.117 0.020 0.000 1.049 324 I CA -1.068 60.246 61.300 0.024 0.000 1.063 324 I CB 2.040 40.071 38.000 0.052 0.000 1.248 324 I HN 0.039 nan 8.210 nan 0.000 0.424 325 V N 7.538 127.449 119.914 -0.006 0.000 2.577 325 V HA 0.421 4.541 4.120 -0.000 0.000 0.303 325 V C -0.339 175.707 176.094 -0.081 0.000 1.042 325 V CA -0.624 61.667 62.300 -0.016 0.000 0.872 325 V CB 1.867 33.680 31.823 -0.016 0.000 0.998 325 V HN 0.492 nan 8.190 nan 0.000 0.423 326 L N 4.106 125.266 121.223 -0.105 0.000 2.289 326 L HA 0.867 5.207 4.340 -0.000 0.000 0.285 326 L C 0.217 176.769 176.870 -0.529 0.000 1.049 326 L CA -0.493 54.179 54.840 -0.279 0.000 0.804 326 L CB 1.527 43.507 42.059 -0.133 0.000 1.195 326 L HN 0.697 nan 8.230 nan 0.000 0.428 327 A N 4.399 126.939 122.820 -0.468 0.000 2.319 327 A HA 0.474 4.794 4.320 -0.000 0.000 0.310 327 A C -0.410 176.914 177.584 -0.433 0.000 1.152 327 A CA -0.547 51.230 52.037 -0.434 0.000 0.783 327 A CB 1.270 20.134 19.000 -0.227 0.000 1.184 327 A HN 0.765 nan 8.150 nan 0.000 0.474 328 L N 2.647 123.622 121.223 -0.413 0.000 2.559 328 L HA 0.062 4.401 4.340 -0.000 0.000 0.282 328 L C 0.399 177.151 176.870 -0.198 0.000 1.232 328 L CA 0.607 55.300 54.840 -0.245 0.000 0.885 328 L CB 0.416 42.480 42.059 0.008 0.000 1.131 328 L HN 0.866 nan 8.230 nan 0.000 0.498 329 E N 3.131 123.187 120.200 -0.240 0.000 4.027 329 E HA 0.310 4.660 4.350 -0.000 0.000 0.301 329 E C 0.274 176.825 176.600 -0.082 0.000 0.824 329 E CA -0.015 56.254 56.400 -0.218 0.000 1.453 329 E CB -0.371 29.050 29.700 -0.465 0.000 2.320 329 E HN 0.709 nan 8.360 nan 0.000 0.484 330 G N -0.700 108.078 108.800 -0.036 0.000 2.508 330 G HA2 0.454 4.413 3.960 -0.000 0.000 0.278 330 G HA3 0.454 4.413 3.960 -0.000 0.000 0.278 330 G C 0.032 174.987 174.900 0.091 0.000 1.389 330 G CA 0.273 45.432 45.100 0.098 0.000 1.050 330 G HN 0.562 nan 8.290 nan 0.000 0.522 331 G N -2.315 106.570 108.800 0.142 0.000 2.906 331 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 331 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 331 G C -0.163 174.962 174.900 0.374 0.000 1.170 331 G CA 0.491 45.712 45.100 0.201 0.000 0.775 331 G HN 1.166 nan 8.290 nan 0.000 0.630 332 H N 1.238 120.605 119.070 0.495 0.000 2.089 332 H HA 0.151 4.707 4.556 -0.000 0.000 0.206 332 H C 0.748 176.177 175.328 0.168 0.000 0.872 332 H CA 0.676 56.884 56.048 0.266 0.000 0.979 332 H CB 0.760 30.651 29.762 0.215 0.000 1.266 332 H HN 0.562 nan 8.280 nan 0.000 0.389 333 D N 1.772 122.169 120.400 -0.005 0.000 2.451 333 D HA -0.032 4.608 4.640 -0.000 0.000 0.254 333 D C 1.599 177.841 176.300 -0.096 0.000 1.204 333 D CA 0.069 53.953 54.000 -0.195 0.000 0.896 333 D CB 0.536 41.136 40.800 -0.334 0.000 1.136 333 D HN 0.305 nan 8.370 nan 0.000 0.499 334 L N 2.894 124.038 121.223 -0.132 0.000 2.012 334 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 334 L C 2.362 179.207 176.870 -0.041 0.000 1.073 334 L CA 1.321 56.120 54.840 -0.068 0.000 0.748 334 L CB -0.800 41.218 42.059 -0.069 0.000 0.891 334 L HN 0.531 nan 8.230 nan 0.000 0.431 335 T N 0.059 114.581 114.554 -0.053 0.000 2.684 335 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 335 T C 2.021 176.690 174.700 -0.052 0.000 1.036 335 T CA 1.463 63.532 62.100 -0.050 0.000 1.148 335 T CB -0.366 68.473 68.868 -0.049 0.000 0.863 335 T HN 0.466 nan 8.240 nan 0.000 0.436 336 A N 2.058 124.857 122.820 -0.035 0.000 1.865 336 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 336 A C 2.385 179.941 177.584 -0.047 0.000 1.191 336 A CA 1.878 53.913 52.037 -0.004 0.000 0.623 336 A CB -0.881 18.178 19.000 0.097 0.000 0.826 336 A HN 0.731 nan 8.150 nan 0.000 0.444 337 I N -2.917 117.672 120.570 0.032 0.000 2.439 337 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 337 I C 2.240 178.310 176.117 -0.078 0.000 1.139 337 I CA 1.452 62.782 61.300 0.049 0.000 1.438 337 I CB -0.817 37.345 38.000 0.269 0.000 1.085 337 I HN 0.263 nan 8.210 nan 0.000 0.427 338 C N 1.807 121.069 119.300 -0.063 0.000 2.466 338 C HA -0.086 4.374 4.460 -0.000 0.000 0.278 338 C C 2.432 177.325 174.990 -0.161 0.000 1.288 338 C CA 1.026 59.990 59.018 -0.090 0.000 1.722 338 C CB -0.975 26.730 27.740 -0.059 0.000 2.017 338 C HN 0.567 nan 8.230 nan 0.000 0.488 339 D N 1.146 121.449 120.400 -0.160 0.000 2.117 339 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 339 D C 2.268 178.410 176.300 -0.262 0.000 0.987 339 D CA 1.766 55.664 54.000 -0.170 0.000 0.829 339 D CB -0.519 40.208 40.800 -0.122 0.000 0.961 339 D HN 0.496 nan 8.370 nan 0.000 0.460 340 A N 0.366 122.917 122.820 -0.450 0.000 1.898 340 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 340 A C 2.435 179.569 177.584 -0.751 0.000 1.181 340 A CA 1.664 53.230 52.037 -0.785 0.000 0.620 340 A CB -0.582 17.423 19.000 -1.658 0.000 0.819 340 A HN 0.139 nan 8.150 nan 0.000 0.442 341 S N -0.693 114.621 115.700 -0.645 0.000 2.370 341 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 341 S C 1.995 176.358 174.600 -0.394 0.000 1.033 341 S CA 1.541 59.501 58.200 -0.401 0.000 1.011 341 S CB -0.281 62.779 63.200 -0.233 0.000 0.852 341 S HN 0.747 nan 8.310 nan 0.000 0.457 342 E N 1.029 121.055 120.200 -0.290 0.000 2.077 342 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 342 E C 2.127 178.624 176.600 -0.172 0.000 0.989 342 E CA 1.015 57.284 56.400 -0.219 0.000 0.800 342 E CB -0.248 29.349 29.700 -0.172 0.000 0.746 342 E HN 0.474 nan 8.360 nan 0.000 0.452 343 A N 0.418 123.145 122.820 -0.156 0.000 1.933 343 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 343 A C 2.454 180.008 177.584 -0.049 0.000 1.175 343 A CA 1.376 53.357 52.037 -0.093 0.000 0.628 343 A CB -0.817 18.145 19.000 -0.064 0.000 0.814 343 A HN 0.518 nan 8.150 nan 0.000 0.444 344 C N -1.429 117.862 119.300 -0.014 0.000 2.476 344 C HA -0.021 4.439 4.460 -0.000 0.000 0.278 344 C C 2.747 177.772 174.990 0.059 0.000 1.274 344 C CA 0.985 60.083 59.018 0.133 0.000 1.713 344 C CB -1.098 26.866 27.740 0.374 0.000 2.039 344 C HN 0.452 nan 8.230 nan 0.000 0.484 345 V N 0.254 120.112 119.914 -0.094 0.000 2.427 345 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 345 V C 2.612 178.672 176.094 -0.057 0.000 1.051 345 V CA 2.257 64.507 62.300 -0.084 0.000 1.048 345 V CB -0.923 30.780 31.823 -0.199 0.000 0.666 345 V HN 0.622 nan 8.190 nan 0.000 0.456 346 S N -0.015 115.636 115.700 -0.082 0.000 2.365 346 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 346 S C 2.182 176.746 174.600 -0.060 0.000 1.039 346 S CA 1.844 59.999 58.200 -0.075 0.000 1.033 346 S CB -0.386 62.761 63.200 -0.088 0.000 0.887 346 S HN 0.633 nan 8.310 nan 0.000 0.447 347 A N 1.340 124.129 122.820 -0.052 0.000 1.883 347 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 347 A C 2.211 179.792 177.584 -0.006 0.000 1.186 347 A CA 1.611 53.620 52.037 -0.046 0.000 0.624 347 A CB -0.897 18.085 19.000 -0.030 0.000 0.822 347 A HN 0.579 nan 8.150 nan 0.000 0.444 348 L N -0.851 120.390 121.223 0.030 0.000 2.131 348 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 348 L C 2.250 179.117 176.870 -0.004 0.000 1.092 348 L CA 0.897 55.760 54.840 0.039 0.000 0.759 348 L CB -0.441 41.667 42.059 0.082 0.000 0.903 348 L HN 0.355 nan 8.230 nan 0.000 0.435 349 L N -0.378 120.833 121.223 -0.020 0.000 2.551 349 L HA 0.028 4.368 4.340 -0.000 0.000 0.228 349 L C 1.487 178.337 176.870 -0.032 0.000 1.153 349 L CA 0.632 55.450 54.840 -0.035 0.000 0.851 349 L CB -0.502 41.532 42.059 -0.042 0.000 0.959 349 L HN 0.502 nan 8.230 nan 0.000 0.451 350 G N -0.288 108.495 108.800 -0.029 0.000 2.143 350 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 350 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 350 G C 0.038 174.917 174.900 -0.034 0.000 0.991 350 G CA -0.131 44.953 45.100 -0.026 0.000 0.689 350 G HN 0.359 nan 8.290 nan 0.000 0.522 351 N N 0.752 119.425 118.700 -0.045 0.000 2.479 351 N HA 0.313 5.053 4.740 -0.000 0.000 0.257 351 N C 0.483 175.957 175.510 -0.060 0.000 1.232 351 N CA 0.065 53.086 53.050 -0.049 0.000 0.920 351 N CB 0.735 39.189 38.487 -0.056 0.000 1.105 351 N HN 0.673 nan 8.380 nan 0.000 0.444 352 E N 1.683 121.855 120.200 -0.047 0.000 2.417 352 E HA 0.029 4.379 4.350 -0.000 0.000 0.261 352 E C -0.503 176.059 176.600 -0.064 0.000 1.000 352 E CA -0.263 56.109 56.400 -0.047 0.000 0.919 352 E CB 0.334 30.021 29.700 -0.022 0.000 0.955 352 E HN 0.351 nan 8.360 nan 0.000 0.455 353 L N 4.327 125.487 121.223 -0.105 0.000 2.349 353 L HA 0.167 4.507 4.340 -0.000 0.000 0.275 353 L C 0.117 176.998 176.870 0.017 0.000 1.115 353 L CA -0.792 53.965 54.840 -0.139 0.000 0.820 353 L CB 0.719 42.483 42.059 -0.491 0.000 1.135 353 L HN 0.568 nan 8.230 nan 0.000 0.445 354 D N 4.398 124.827 120.400 0.048 0.000 2.487 354 D HA 0.069 4.709 4.640 -0.000 0.000 0.243 354 D C -1.993 174.426 176.300 0.198 0.000 1.154 354 D CA -0.724 53.327 54.000 0.086 0.000 0.876 354 D CB 0.289 41.119 40.800 0.050 0.000 1.161 354 D HN 0.249 nan 8.370 nan 0.000 0.478 355 P HA 0.015 nan 4.420 nan 0.000 0.269 355 P C 0.134 177.410 177.300 -0.040 0.000 1.215 355 P CA -0.266 62.890 63.100 0.093 0.000 0.780 355 P CB 0.750 32.466 31.700 0.027 0.000 0.898 356 L N 3.510 124.579 121.223 -0.257 0.000 2.461 356 L HA 0.185 4.525 4.340 -0.000 0.000 0.272 356 L C -1.481 175.293 176.870 -0.160 0.000 1.197 356 L CA -1.740 52.924 54.840 -0.292 0.000 0.836 356 L CB -0.535 41.250 42.059 -0.457 0.000 1.105 356 L HN 0.309 nan 8.230 nan 0.000 0.477 357 P HA -0.044 nan 4.420 nan 0.000 0.267 357 P C 0.181 177.426 177.300 -0.091 0.000 1.200 357 P CA -0.134 62.913 63.100 -0.088 0.000 0.772 357 P CB 0.745 32.400 31.700 -0.076 0.000 0.855 358 E N 2.823 122.982 120.200 -0.069 0.000 2.160 358 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 358 E C 1.860 178.422 176.600 -0.063 0.000 0.991 358 E CA 1.733 58.096 56.400 -0.062 0.000 0.810 358 E CB -0.387 29.285 29.700 -0.045 0.000 0.742 358 E HN 0.462 nan 8.360 nan 0.000 0.466 359 K N -0.341 120.022 120.400 -0.062 0.000 2.044 359 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 359 K C 1.941 178.497 176.600 -0.073 0.000 1.049 359 K CA 1.839 58.090 56.287 -0.060 0.000 0.927 359 K CB -0.201 32.266 32.500 -0.056 0.000 0.713 359 K HN 0.105 nan 8.250 nan 0.000 0.443 360 V N 1.674 121.533 119.914 -0.092 0.000 2.307 360 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 360 V C 2.342 178.371 176.094 -0.108 0.000 1.045 360 V CA 1.659 63.892 62.300 -0.111 0.000 1.024 360 V CB -0.370 31.364 31.823 -0.149 0.000 0.651 360 V HN 0.339 nan 8.190 nan 0.000 0.449 361 L N -0.472 120.685 121.223 -0.109 0.000 2.131 361 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 361 L C 2.650 179.479 176.870 -0.067 0.000 1.092 361 L CA 1.232 56.015 54.840 -0.096 0.000 0.759 361 L CB -0.594 41.409 42.059 -0.094 0.000 0.903 361 L HN 0.343 nan 8.230 nan 0.000 0.435 362 Q N -0.215 119.549 119.800 -0.060 0.000 2.378 362 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 362 Q C 0.926 176.900 176.000 -0.044 0.000 0.954 362 Q CA 0.568 56.343 55.803 -0.046 0.000 0.901 362 Q CB 0.068 28.782 28.738 -0.041 0.000 0.981 362 Q HN 0.515 nan 8.270 nan 0.000 0.483 363 Q N 1.167 120.935 119.800 -0.052 0.000 2.288 363 Q HA 0.144 4.484 4.340 -0.000 0.000 0.258 363 Q C -0.688 175.286 176.000 -0.043 0.000 0.957 363 Q CA -0.183 55.591 55.803 -0.049 0.000 0.919 363 Q CB 0.689 29.391 28.738 -0.060 0.000 1.185 363 Q HN 0.055 nan 8.270 nan 0.000 0.408 364 R N 4.727 125.207 120.500 -0.035 0.000 2.438 364 R HA 0.266 4.606 4.340 -0.000 0.000 0.287 364 R C -2.115 174.167 176.300 -0.031 0.000 1.077 364 R CA -1.657 54.427 56.100 -0.027 0.000 1.034 364 R CB 0.224 30.512 30.300 -0.021 0.000 0.993 364 R HN 0.526 nan 8.270 nan 0.000 0.459 365 P HA -0.068 nan 4.420 nan 0.000 0.266 365 P C -0.839 176.447 177.300 -0.023 0.000 1.195 365 P CA -0.208 62.877 63.100 -0.026 0.000 0.768 365 P CB 0.309 32.008 31.700 -0.001 0.000 0.838 366 N N 1.458 120.136 118.700 -0.037 0.000 2.307 366 N HA 0.039 4.779 4.740 -0.000 0.000 0.230 366 N C 1.214 176.720 175.510 -0.006 0.000 1.297 366 N CA 0.212 53.245 53.050 -0.028 0.000 0.884 366 N CB -0.224 38.235 38.487 -0.046 0.000 1.115 366 N HN 0.370 nan 8.380 nan 0.000 0.436 367 A N 1.080 123.900 122.820 -0.001 0.000 1.930 367 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 367 A C 1.816 179.415 177.584 0.025 0.000 1.175 367 A CA 1.529 53.573 52.037 0.011 0.000 0.627 367 A CB -1.176 17.829 19.000 0.009 0.000 0.815 367 A HN 0.872 nan 8.150 nan 0.000 0.443 368 N N 0.152 118.869 118.700 0.029 0.000 2.120 368 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 368 N C 1.980 177.547 175.510 0.095 0.000 1.024 368 N CA 1.063 54.145 53.050 0.055 0.000 0.852 368 N CB -0.261 38.258 38.487 0.053 0.000 1.003 368 N HN 0.498 nan 8.380 nan 0.000 0.424 369 A N 0.879 123.754 122.820 0.091 0.000 1.865 369 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 369 A C 2.417 180.079 177.584 0.129 0.000 1.191 369 A CA 1.319 53.465 52.037 0.181 0.000 0.623 369 A CB -0.958 18.097 19.000 0.091 0.000 0.826 369 A HN 0.099 nan 8.150 nan 0.000 0.444 370 V N 0.308 120.261 119.914 0.065 0.000 2.287 370 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 370 V C 2.702 178.811 176.094 0.025 0.000 1.053 370 V CA 2.478 64.800 62.300 0.036 0.000 1.027 370 V CB -0.887 30.948 31.823 0.021 0.000 0.646 370 V HN 0.729 nan 8.190 nan 0.000 0.447 371 R N 0.073 120.592 120.500 0.032 0.000 2.081 371 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 371 R C 2.409 178.717 176.300 0.015 0.000 1.131 371 R CA 1.996 58.111 56.100 0.024 0.000 0.960 371 R CB -0.336 29.984 30.300 0.033 0.000 0.856 371 R HN 0.510 nan 8.270 nan 0.000 0.436 372 S N 0.659 116.375 115.700 0.026 0.000 2.356 372 S HA -0.134 4.335 4.470 -0.000 0.000 0.223 372 S C 1.922 176.453 174.600 -0.114 0.000 1.032 372 S CA 1.690 59.871 58.200 -0.032 0.000 1.005 372 S CB -0.166 63.032 63.200 -0.004 0.000 0.867 372 S HN 0.331 nan 8.310 nan 0.000 0.449 373 M N 1.116 120.659 119.600 -0.095 0.000 2.080 373 M HA -0.159 4.321 4.480 -0.000 0.000 0.260 373 M C 2.207 178.464 176.300 -0.071 0.000 1.068 373 M CA 1.487 56.720 55.300 -0.113 0.000 1.109 373 M CB -0.533 32.033 32.600 -0.057 0.000 1.342 373 M HN 0.323 nan 8.290 nan 0.000 0.405 374 E N 0.089 120.268 120.200 -0.036 0.000 2.106 374 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 374 E C 1.973 178.562 176.600 -0.017 0.000 0.984 374 E CA 1.003 57.391 56.400 -0.021 0.000 0.806 374 E CB -0.088 29.607 29.700 -0.008 0.000 0.750 374 E HN 0.392 nan 8.360 nan 0.000 0.458 375 K N 0.894 121.282 120.400 -0.020 0.000 2.057 375 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 375 K C 2.031 178.627 176.600 -0.007 0.000 1.049 375 K CA 1.151 57.431 56.287 -0.012 0.000 0.931 375 K CB 0.029 32.524 32.500 -0.009 0.000 0.714 375 K HN -0.055 nan 8.250 nan 0.000 0.440 376 V N 1.456 121.352 119.914 -0.030 0.000 2.295 376 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 376 V C 2.382 178.516 176.094 0.066 0.000 1.049 376 V CA 2.026 64.330 62.300 0.006 0.000 1.024 376 V CB -0.376 31.385 31.823 -0.104 0.000 0.648 376 V HN 0.407 nan 8.190 nan 0.000 0.447 377 M N -0.538 119.069 119.600 0.010 0.000 2.132 377 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 377 M C 2.262 178.589 176.300 0.044 0.000 1.065 377 M CA 1.969 57.285 55.300 0.028 0.000 1.122 377 M CB -0.492 32.103 32.600 -0.008 0.000 1.365 377 M HN 0.407 nan 8.290 nan 0.000 0.411 378 E N 1.247 121.457 120.200 0.017 0.000 2.038 378 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 378 E C 1.840 178.430 176.600 -0.016 0.000 1.000 378 E CA 1.481 57.879 56.400 -0.003 0.000 0.803 378 E CB -0.084 29.610 29.700 -0.009 0.000 0.750 378 E HN 0.471 nan 8.360 nan 0.000 0.448 379 I N 0.312 120.883 120.570 0.001 0.000 2.226 379 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 379 I C 2.179 178.237 176.117 -0.098 0.000 1.100 379 I CA 1.104 62.378 61.300 -0.044 0.000 1.374 379 I CB -0.234 37.760 38.000 -0.010 0.000 1.057 379 I HN 0.255 nan 8.210 nan 0.000 0.413 380 H N -0.190 118.929 119.070 0.082 0.000 2.539 380 H HA 0.092 4.648 4.556 -0.000 0.000 0.269 380 H C 2.320 177.745 175.328 0.163 0.000 0.980 380 H CA 0.912 57.100 56.048 0.234 0.000 1.152 380 H CB 0.333 30.258 29.762 0.271 0.000 1.407 380 H HN 0.365 nan 8.280 nan 0.000 0.564 381 S N 0.531 116.282 115.700 0.085 0.000 2.399 381 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 381 S C 1.982 176.520 174.600 -0.104 0.000 1.022 381 S CA 0.869 59.085 58.200 0.027 0.000 0.983 381 S CB -0.019 63.174 63.200 -0.012 0.000 0.803 381 S HN 0.286 nan 8.310 nan 0.000 0.480 382 K N 0.240 120.449 120.400 -0.318 0.000 2.211 382 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 382 K C 0.963 177.169 176.600 -0.657 0.000 1.047 382 K CA 1.454 57.388 56.287 -0.589 0.000 0.935 382 K CB -0.164 31.766 32.500 -0.950 0.000 0.728 382 K HN 0.692 nan 8.250 nan 0.000 0.452 383 Y N -2.650 117.552 120.300 -0.164 0.000 2.444 383 Y HA 0.160 4.710 4.550 -0.000 0.000 0.252 383 Y C -0.264 175.189 175.900 -0.746 0.000 1.091 383 Y CA -1.013 56.802 58.100 -0.475 0.000 1.276 383 Y CB 0.610 38.717 38.460 -0.589 0.000 1.170 383 Y HN -0.025 nan 8.280 nan 0.000 0.517 384 W N 0.681 122.010 121.300 0.050 0.000 2.683 384 W HA 0.473 5.133 4.660 -0.000 0.000 0.329 384 W C 0.740 177.262 176.519 0.004 0.000 1.037 384 W CA -1.027 56.331 57.345 0.023 0.000 1.232 384 W CB 1.018 30.490 29.460 0.020 0.000 1.390 384 W HN -0.331 nan 8.180 nan 0.000 0.465 385 R N 1.200 121.816 120.500 0.194 0.000 2.159 385 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 385 R C 1.839 178.209 176.300 0.117 0.000 1.131 385 R CA 1.666 57.835 56.100 0.115 0.000 0.982 385 R CB -1.047 29.307 30.300 0.090 0.000 0.868 385 R HN 0.745 nan 8.270 nan 0.000 0.453 386 C N -1.114 118.280 119.300 0.158 0.000 2.456 386 C HA 0.150 4.610 4.460 -0.000 0.000 0.279 386 C C 2.013 177.044 174.990 0.068 0.000 1.427 386 C CA -0.124 58.951 59.018 0.095 0.000 1.778 386 C CB -1.028 26.755 27.740 0.072 0.000 1.842 386 C HN 0.257 nan 8.230 nan 0.000 0.531 387 L N 0.181 121.462 121.223 0.095 0.000 2.769 387 L HA 0.216 4.556 4.340 -0.000 0.000 0.240 387 L C 2.277 179.174 176.870 0.044 0.000 1.163 387 L CA 0.293 55.170 54.840 0.062 0.000 0.962 387 L CB -0.466 41.642 42.059 0.082 0.000 1.258 387 L HN 0.360 nan 8.230 nan 0.000 0.513 388 Q N -0.112 119.714 119.800 0.042 0.000 2.392 388 Q HA 0.051 4.391 4.340 -0.000 0.000 0.219 388 Q C 2.630 178.637 176.000 0.012 0.000 0.895 388 Q CA 0.605 56.418 55.803 0.017 0.000 0.929 388 Q CB 0.251 28.996 28.738 0.011 0.000 1.077 388 Q HN 0.518 nan 8.270 nan 0.000 0.532 389 R N 0.981 121.492 120.500 0.019 0.000 2.148 389 R HA 0.012 4.352 4.340 -0.000 0.000 0.227 389 R C 1.253 177.558 176.300 0.009 0.000 1.103 389 R CA 1.664 57.773 56.100 0.014 0.000 0.983 389 R CB -0.793 29.519 30.300 0.019 0.000 0.874 389 R HN 0.256 nan 8.270 nan 0.000 0.451 390 T N -1.940 112.619 114.554 0.008 0.000 2.742 390 T HA 0.550 4.900 4.350 -0.000 0.000 0.282 390 T C -0.265 174.436 174.700 0.002 0.000 1.025 390 T CA 0.009 62.112 62.100 0.005 0.000 1.020 390 T CB 1.645 70.517 68.868 0.007 0.000 1.317 390 T HN 0.429 nan 8.240 nan 0.000 0.538 391 T N -1.856 112.698 114.554 0.001 0.000 2.932 391 T HA 0.653 5.002 4.350 -0.000 0.000 0.289 391 T C 0.071 174.771 174.700 -0.001 0.000 1.039 391 T CA -0.796 61.304 62.100 -0.001 0.000 1.024 391 T CB 1.599 70.466 68.868 -0.001 0.000 1.090 391 T HN 0.620 nan 8.240 nan 0.000 0.496 392 S N 0.962 116.660 115.700 -0.002 0.000 2.533 392 S HA 0.267 4.737 4.470 -0.000 0.000 0.282 392 S C 1.122 175.721 174.600 -0.002 0.000 1.304 392 S CA 0.048 58.245 58.200 -0.003 0.000 1.063 392 S CB -0.233 62.964 63.200 -0.005 0.000 0.881 392 S HN 1.030 nan 8.310 nan 0.000 0.493 393 T N 2.417 116.970 114.554 -0.002 0.000 3.215 393 T HA 0.452 4.802 4.350 -0.000 0.000 0.271 393 T C 1.447 176.147 174.700 0.000 0.000 1.012 393 T CA 0.062 62.162 62.100 -0.000 0.000 0.899 393 T CB 0.155 69.023 68.868 0.001 0.000 1.089 393 T HN 0.638 nan 8.240 nan 0.000 0.552 394 A N 1.622 124.442 122.820 -0.000 0.000 1.978 394 A HA 0.205 4.524 4.320 -0.000 0.000 0.220 394 A C 2.403 179.991 177.584 0.006 0.000 1.170 394 A CA 1.478 53.517 52.037 0.003 0.000 0.636 394 A CB -1.272 17.729 19.000 0.001 0.000 0.810 394 A HN 0.650 nan 8.150 nan 0.000 0.448 395 G N -1.058 107.744 108.800 0.003 0.000 2.920 395 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 395 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 395 G C 0.848 175.746 174.900 -0.003 0.000 1.159 395 G CA -0.389 44.712 45.100 0.001 0.000 0.784 395 G HN 0.471 nan 8.290 nan 0.000 0.535 396 R N 1.058 121.556 120.500 -0.003 0.000 2.539 396 R HA 0.327 4.667 4.340 -0.000 0.000 0.275 396 R C 0.865 177.159 176.300 -0.010 0.000 1.077 396 R CA -0.001 56.095 56.100 -0.006 0.000 1.097 396 R CB 0.928 31.225 30.300 -0.005 0.000 1.018 396 R HN 0.304 nan 8.270 nan 0.000 0.483 397 S N 1.848 117.538 115.700 -0.016 0.000 2.606 397 S HA 0.059 4.529 4.470 -0.000 0.000 0.257 397 S C 1.523 176.110 174.600 -0.022 0.000 1.327 397 S CA -0.654 57.532 58.200 -0.023 0.000 0.984 397 S CB 0.527 63.710 63.200 -0.029 0.000 0.941 397 S HN 0.590 nan 8.310 nan 0.000 0.576 398 L N 0.334 121.538 121.223 -0.031 0.000 2.017 398 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 398 L C 2.523 179.379 176.870 -0.023 0.000 1.073 398 L CA 1.406 56.229 54.840 -0.028 0.000 0.745 398 L CB -0.588 41.443 42.059 -0.048 0.000 0.894 398 L HN 0.720 nan 8.230 nan 0.000 0.432 399 I N -0.268 120.285 120.570 -0.028 0.000 2.208 399 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 399 I C 2.431 178.540 176.117 -0.015 0.000 1.097 399 I CA 1.373 62.659 61.300 -0.022 0.000 1.363 399 I CB -0.214 37.770 38.000 -0.026 0.000 1.051 399 I HN 0.302 nan 8.210 nan 0.000 0.413 400 E N 0.768 120.959 120.200 -0.015 0.000 2.077 400 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 400 E C 2.369 178.965 176.600 -0.006 0.000 0.989 400 E CA 1.255 57.649 56.400 -0.010 0.000 0.800 400 E CB -0.219 29.474 29.700 -0.011 0.000 0.746 400 E HN 0.521 nan 8.360 nan 0.000 0.452 401 A N 1.502 124.319 122.820 -0.005 0.000 1.883 401 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 401 A C 2.173 179.758 177.584 0.002 0.000 1.186 401 A CA 1.919 53.956 52.037 -0.000 0.000 0.624 401 A CB -0.654 18.347 19.000 0.002 0.000 0.822 401 A HN 0.280 nan 8.150 nan 0.000 0.444 402 Q N -0.861 118.939 119.800 -0.000 0.000 2.020 402 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 402 Q C 2.023 178.023 176.000 0.001 0.000 0.982 402 Q CA 2.288 58.093 55.803 0.002 0.000 0.838 402 Q CB -0.399 28.339 28.738 -0.001 0.000 0.899 402 Q HN 0.565 nan 8.270 nan 0.000 0.423 403 T N -0.202 114.351 114.554 -0.002 0.000 2.788 403 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 403 T C 1.514 176.214 174.700 -0.000 0.000 1.044 403 T CA 1.303 63.401 62.100 -0.002 0.000 1.139 403 T CB -0.151 68.714 68.868 -0.004 0.000 0.867 403 T HN 0.396 nan 8.240 nan 0.000 0.454 404 C N 2.063 121.363 119.300 -0.000 0.000 2.614 404 C HA 0.218 4.678 4.460 -0.000 0.000 0.299 404 C C 2.312 177.304 174.990 0.003 0.000 1.293 404 C CA -0.914 58.105 59.018 0.001 0.000 1.713 404 C CB -1.393 26.346 27.740 -0.000 0.000 1.890 404 C HN 0.702 nan 8.230 nan 0.000 0.602 405 E N 1.280 121.482 120.200 0.004 0.000 2.166 405 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 405 E C 1.324 177.927 176.600 0.006 0.000 0.967 405 E CA 0.429 56.833 56.400 0.006 0.000 0.840 405 E CB -0.422 29.283 29.700 0.009 0.000 0.795 405 E HN 0.641 nan 8.360 nan 0.000 0.470 406 N N 1.306 120.010 118.700 0.005 0.000 2.019 406 N HA -0.203 4.537 4.740 -0.000 0.000 0.198 406 N C 1.123 176.635 175.510 0.005 0.000 1.065 406 N CA 2.300 55.353 53.050 0.005 0.000 0.881 406 N CB -0.201 38.288 38.487 0.004 0.000 1.079 406 N HN 0.446 nan 8.380 nan 0.000 0.460 407 E N 0.000 120.202 120.200 0.004 0.000 2.725 407 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 407 E CA 0.000 56.402 56.400 0.003 0.000 0.976 407 E CB 0.000 29.701 29.700 0.003 0.000 0.812 407 E HN 0.000 nan 8.360 nan 0.000 0.440