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 3d68_1_C DATA FIRST_RESID 1 DATA SEQUENCE AQSGQVLAAL PRTSRQVQVL QNLTTTYEIV LWQPVTADLI VKKKQVHFFV DATA SEQUENCE NASDVDNVKA HLNVSGIPCS VLLADVEDLI QQQISNDTVS PRASASYYEQ DATA SEQUENCE YHSLNEIYSW IEFITERHPD MLTKIHIGSS FEKYPLYVLK VSGKEQTAKN DATA SEQUENCE AIWIDcGIHA REWISPAFcL WFIGHITQFY GIIGQYTNLL RLVDFYVMPV DATA SEQUENCE VNVDGYDYSW KKNRMWRKNR SFYANNHcIG TDLNRNFASK HWcEEGASSS DATA SEQUENCE ScSETYcGLY PESEPEVKAV ASFLRRNINQ IKAYISMHSY SQHIVFPYSY DATA SEQUENCE TRSKSKDHEE LSLVASEAVR AIEKISKNIR YTYGQGSETL YLAPGGGDDW DATA SEQUENCE IYDLGIKYSF TIELRDTGTY GFLLPERYIK PTCREAFAAV SKIAWHVIRN DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.551 177.584 -0.055 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 19.086 19.000 0.144 0.000 0.831 2 Q N -0.923 118.894 119.800 0.028 0.000 2.577 2 Q HA 0.285 4.625 4.340 -0.000 0.000 0.242 2 Q C 0.152 176.181 176.000 0.049 0.000 0.818 2 Q CA 0.973 56.784 55.803 0.013 0.000 0.962 2 Q CB 1.380 30.128 28.738 0.017 0.000 1.272 2 Q HN 0.794 nan 8.270 nan 0.000 0.593 3 S N -0.913 114.865 115.700 0.129 0.000 2.548 3 S HA 0.805 5.275 4.470 -0.000 0.000 0.276 3 S C -0.315 174.420 174.600 0.225 0.000 1.129 3 S CA 0.039 58.319 58.200 0.134 0.000 0.931 3 S CB 2.275 65.514 63.200 0.064 0.000 1.068 3 S HN 0.376 nan 8.310 nan 0.000 0.480 4 G N 2.091 111.023 108.800 0.219 0.000 2.399 4 G HA2 0.418 4.378 3.960 -0.000 0.000 0.256 4 G HA3 0.418 4.378 3.960 -0.000 0.000 0.256 4 G C -2.160 172.772 174.900 0.053 0.000 1.236 4 G CA -0.698 44.454 45.100 0.085 0.000 0.914 4 G HN 0.819 nan 8.290 nan 0.000 0.482 5 Q N -1.319 118.404 119.800 -0.127 0.000 2.528 5 Q HA 0.729 5.069 4.340 -0.000 0.000 0.289 5 Q C -1.398 174.453 176.000 -0.247 0.000 1.091 5 Q CA -1.003 54.709 55.803 -0.153 0.000 0.797 5 Q CB 3.092 31.704 28.738 -0.210 0.000 1.466 5 Q HN 0.419 nan 8.270 nan 0.000 0.436 6 V N 1.784 121.503 119.914 -0.325 0.000 2.604 6 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 6 V C -0.704 175.056 176.094 -0.557 0.000 1.043 6 V CA -0.618 61.358 62.300 -0.541 0.000 0.888 6 V CB 1.717 33.126 31.823 -0.692 0.000 0.995 6 V HN 0.509 nan 8.190 nan 0.000 0.429 7 L N 3.155 123.914 121.223 -0.773 0.000 2.388 7 L HA 0.909 5.249 4.340 -0.000 0.000 0.264 7 L C -0.235 176.367 176.870 -0.446 0.000 0.998 7 L CA -0.907 53.550 54.840 -0.639 0.000 0.817 7 L CB 2.246 43.861 42.059 -0.740 0.000 1.338 7 L HN 0.674 nan 8.230 nan 0.000 0.414 8 A N 1.671 124.381 122.820 -0.183 0.000 2.328 8 A HA 0.825 5.145 4.320 -0.000 0.000 0.318 8 A C -0.202 177.440 177.584 0.097 0.000 1.347 8 A CA -0.377 51.675 52.037 0.025 0.000 0.842 8 A CB 0.917 19.894 19.000 -0.039 0.000 1.148 8 A HN 0.751 nan 8.150 nan 0.000 0.499 9 A N 2.228 125.179 122.820 0.219 0.000 2.295 9 A HA 0.796 5.116 4.320 -0.000 0.000 0.318 9 A C -0.535 177.114 177.584 0.109 0.000 1.134 9 A CA -0.486 51.649 52.037 0.163 0.000 0.827 9 A CB 0.823 19.948 19.000 0.209 0.000 1.136 9 A HN 1.227 nan 8.150 nan 0.000 0.493 10 L N 3.415 124.674 121.223 0.060 0.000 2.518 10 L HA 0.399 4.739 4.340 -0.000 0.000 0.262 10 L C -2.542 174.336 176.870 0.014 0.000 0.982 10 L CA -1.942 52.920 54.840 0.036 0.000 0.873 10 L CB 2.468 44.546 42.059 0.033 0.000 1.198 10 L HN 0.556 nan 8.230 nan 0.000 0.427 11 P HA 0.369 nan 4.420 nan 0.000 0.276 11 P C -0.615 176.678 177.300 -0.012 0.000 1.244 11 P CA -0.379 62.714 63.100 -0.012 0.000 0.801 11 P CB 1.566 33.251 31.700 -0.026 0.000 1.006 12 R N -0.842 119.650 120.500 -0.014 0.000 2.573 12 R HA 0.208 4.548 4.340 -0.000 0.000 0.224 12 R C 0.219 176.510 176.300 -0.015 0.000 0.904 12 R CA 0.224 56.317 56.100 -0.012 0.000 0.995 12 R CB 0.349 30.644 30.300 -0.008 0.000 1.430 12 R HN 0.447 nan 8.270 nan 0.000 0.631 13 T N -0.198 114.345 114.554 -0.018 0.000 2.950 13 T HA 0.192 4.542 4.350 -0.000 0.000 0.288 13 T C 1.057 175.742 174.700 -0.025 0.000 1.035 13 T CA -0.644 61.445 62.100 -0.020 0.000 1.028 13 T CB 2.043 70.900 68.868 -0.018 0.000 1.109 13 T HN -0.093 nan 8.240 nan 0.000 0.514 14 S N 1.023 116.708 115.700 -0.025 0.000 2.380 14 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 14 S C 2.079 176.658 174.600 -0.034 0.000 1.043 14 S CA 1.337 59.519 58.200 -0.030 0.000 1.038 14 S CB -0.342 62.842 63.200 -0.026 0.000 0.872 14 S HN 0.583 nan 8.310 nan 0.000 0.456 15 R N 1.205 121.686 120.500 -0.030 0.000 2.083 15 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 15 R C 2.756 179.030 176.300 -0.042 0.000 1.137 15 R CA 1.616 57.696 56.100 -0.033 0.000 0.951 15 R CB -0.404 29.880 30.300 -0.025 0.000 0.851 15 R HN 0.571 nan 8.270 nan 0.000 0.434 16 Q N 0.266 120.043 119.800 -0.039 0.000 1.990 16 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 16 Q C 2.370 178.335 176.000 -0.059 0.000 0.980 16 Q CA 1.681 57.457 55.803 -0.045 0.000 0.832 16 Q CB -0.326 28.392 28.738 -0.033 0.000 0.897 16 Q HN 0.156 nan 8.270 nan 0.000 0.427 17 V N 1.549 121.432 119.914 -0.053 0.000 2.236 17 V HA -0.380 3.740 4.120 -0.000 0.000 0.255 17 V C 2.414 178.462 176.094 -0.076 0.000 1.068 17 V CA 2.513 64.775 62.300 -0.062 0.000 1.044 17 V CB -0.822 30.969 31.823 -0.053 0.000 0.653 17 V HN 0.477 nan 8.190 nan 0.000 0.448 18 Q N -0.832 118.928 119.800 -0.068 0.000 2.170 18 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 18 Q C 2.229 178.175 176.000 -0.090 0.000 0.976 18 Q CA 1.827 57.587 55.803 -0.072 0.000 0.858 18 Q CB -0.041 28.662 28.738 -0.057 0.000 0.907 18 Q HN 0.592 nan 8.270 nan 0.000 0.433 19 V N 1.158 121.015 119.914 -0.095 0.000 2.255 19 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 19 V C 2.378 178.377 176.094 -0.159 0.000 1.051 19 V CA 1.697 63.918 62.300 -0.130 0.000 1.018 19 V CB -0.585 31.160 31.823 -0.130 0.000 0.641 19 V HN 0.414 nan 8.190 nan 0.000 0.445 20 L N -0.508 120.625 121.223 -0.150 0.000 2.081 20 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 20 L C 2.734 179.484 176.870 -0.199 0.000 1.080 20 L CA 1.755 56.479 54.840 -0.194 0.000 0.754 20 L CB -0.572 41.377 42.059 -0.183 0.000 0.893 20 L HN 0.454 nan 8.230 nan 0.000 0.433 21 Q N -0.391 119.318 119.800 -0.151 0.000 2.079 21 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 21 Q C 1.916 177.843 176.000 -0.121 0.000 0.974 21 Q CA 1.622 57.347 55.803 -0.130 0.000 0.840 21 Q CB -0.192 28.485 28.738 -0.102 0.000 0.898 21 Q HN 0.515 nan 8.270 nan 0.000 0.430 22 N N 0.643 119.272 118.700 -0.118 0.000 2.289 22 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 22 N C 1.574 177.007 175.510 -0.128 0.000 1.016 22 N CA 0.775 53.758 53.050 -0.113 0.000 0.872 22 N CB -0.067 38.358 38.487 -0.103 0.000 0.973 22 N HN 0.154 nan 8.380 nan 0.000 0.433 23 L N 0.061 121.203 121.223 -0.135 0.000 2.093 23 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 23 L C 2.452 179.288 176.870 -0.056 0.000 1.085 23 L CA 1.488 56.283 54.840 -0.074 0.000 0.755 23 L CB -0.926 41.088 42.059 -0.075 0.000 0.904 23 L HN 0.434 nan 8.230 nan 0.000 0.435 24 T N -4.702 109.789 114.554 -0.105 0.000 2.777 24 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 24 T C 1.826 176.504 174.700 -0.037 0.000 1.040 24 T CA 1.778 63.838 62.100 -0.067 0.000 1.141 24 T CB -0.653 68.160 68.868 -0.092 0.000 0.868 24 T HN 0.133 nan 8.240 nan 0.000 0.444 25 T N 1.534 116.048 114.554 -0.067 0.000 2.759 25 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 25 T C 2.088 176.730 174.700 -0.096 0.000 1.042 25 T CA 1.944 64.002 62.100 -0.069 0.000 1.140 25 T CB -0.731 68.088 68.868 -0.082 0.000 0.864 25 T HN 0.564 nan 8.240 nan 0.000 0.455 26 T N -0.070 114.384 114.554 -0.166 0.000 2.901 26 T HA 0.155 4.505 4.350 -0.000 0.000 0.252 26 T C 0.135 174.621 174.700 -0.356 0.000 1.035 26 T CA 0.711 62.608 62.100 -0.339 0.000 1.142 26 T CB -0.021 68.506 68.868 -0.568 0.000 0.869 26 T HN 0.211 nan 8.240 nan 0.000 0.442 27 Y N 0.994 121.305 120.300 0.018 0.000 2.602 27 Y HA 0.485 5.035 4.550 -0.000 0.000 0.330 27 Y C 0.333 176.246 175.900 0.022 0.000 1.114 27 Y CA -1.944 56.169 58.100 0.021 0.000 1.182 27 Y CB 0.659 39.136 38.460 0.028 0.000 1.305 27 Y HN -0.059 nan 8.280 nan 0.000 0.502 28 E N 1.574 121.899 120.200 0.208 0.000 1.842 28 E HA 0.225 4.575 4.350 -0.000 0.000 0.278 28 E C -0.922 175.736 176.600 0.096 0.000 1.171 28 E CA 0.134 56.613 56.400 0.131 0.000 1.127 28 E CB -0.461 29.305 29.700 0.110 0.000 1.100 28 E HN 0.302 nan 8.360 nan 0.000 0.456 29 I N 1.789 122.441 120.570 0.138 0.000 2.392 29 I HA 0.251 4.421 4.170 -0.000 0.000 0.295 29 I C -0.367 175.892 176.117 0.237 0.000 0.985 29 I CA -1.051 60.349 61.300 0.168 0.000 1.221 29 I CB 1.728 39.819 38.000 0.152 0.000 1.366 29 I HN -0.005 nan 8.210 nan 0.000 0.467 30 V N 7.189 127.325 119.914 0.369 0.000 2.326 30 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 30 V C 0.212 176.584 176.094 0.462 0.000 1.015 30 V CA -0.610 61.944 62.300 0.424 0.000 0.823 30 V CB 1.365 33.514 31.823 0.544 0.000 1.009 30 V HN 0.520 nan 8.190 nan 0.000 0.436 31 L N 3.595 125.022 121.223 0.339 0.000 2.525 31 L HA 0.029 4.369 4.340 -0.000 0.000 0.278 31 L C 0.581 177.790 176.870 0.566 0.000 1.218 31 L CA 0.567 55.616 54.840 0.348 0.000 0.878 31 L CB 0.666 42.824 42.059 0.164 0.000 1.127 31 L HN 0.725 nan 8.230 nan 0.000 0.492 32 W N 0.812 122.300 121.300 0.314 0.000 2.728 32 W HA 0.161 4.821 4.660 0.000 0.000 0.270 32 W C 0.577 177.192 176.519 0.160 0.000 1.150 32 W CA 0.005 57.558 57.345 0.347 0.000 1.518 32 W CB 0.256 29.939 29.460 0.372 0.000 1.069 32 W HN 0.407 nan 8.180 nan 0.000 0.590 33 Q N 1.089 121.088 119.800 0.332 0.000 2.268 33 Q HA 0.249 4.589 4.340 -0.000 0.000 0.266 33 Q C -2.729 173.269 176.000 -0.004 0.000 1.006 33 Q CA -1.941 53.882 55.803 0.034 0.000 0.824 33 Q CB 3.089 31.752 28.738 -0.126 0.000 1.306 33 Q HN -0.275 nan 8.270 nan 0.000 0.424 34 P HA 0.027 nan 4.420 nan 0.000 0.275 34 P C 0.757 178.021 177.300 -0.061 0.000 1.266 34 P CA -0.307 62.732 63.100 -0.101 0.000 0.793 34 P CB 0.907 32.501 31.700 -0.176 0.000 1.074 35 V N -1.022 118.830 119.914 -0.104 0.000 2.255 35 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 35 V C 1.494 177.559 176.094 -0.048 0.000 1.051 35 V CA 2.525 64.795 62.300 -0.049 0.000 1.018 35 V CB -1.937 29.840 31.823 -0.077 0.000 0.641 35 V HN 0.818 nan 8.190 nan 0.000 0.445 36 T N -3.559 110.925 114.554 -0.116 0.000 2.908 36 T HA 0.755 5.105 4.350 -0.000 0.000 0.290 36 T C 0.793 175.430 174.700 -0.106 0.000 1.034 36 T CA -0.140 61.905 62.100 -0.092 0.000 1.010 36 T CB 2.139 70.949 68.868 -0.097 0.000 1.068 36 T HN 0.229 nan 8.240 nan 0.000 0.481 37 A N 1.621 124.390 122.820 -0.084 0.000 1.940 37 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 37 A C 2.042 179.565 177.584 -0.101 0.000 1.176 37 A CA 1.979 53.959 52.037 -0.094 0.000 0.631 37 A CB -1.031 17.918 19.000 -0.085 0.000 0.814 37 A HN 1.018 nan 8.150 nan 0.000 0.446 38 D N 0.146 120.488 120.400 -0.097 0.000 2.264 38 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 38 D C 1.483 177.717 176.300 -0.109 0.000 0.966 38 D CA 0.920 54.865 54.000 -0.092 0.000 0.864 38 D CB -0.370 40.383 40.800 -0.079 0.000 0.933 38 D HN 0.491 nan 8.370 nan 0.000 0.499 39 L N 0.532 121.664 121.223 -0.151 0.000 2.599 39 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 39 L C 0.817 177.605 176.870 -0.137 0.000 1.141 39 L CA -0.130 54.599 54.840 -0.185 0.000 0.877 39 L CB -0.126 41.728 42.059 -0.342 0.000 1.009 39 L HN -0.079 nan 8.230 nan 0.000 0.447 40 I N 1.280 121.783 120.570 -0.112 0.000 2.436 40 I HA 0.078 4.248 4.170 -0.000 0.000 0.289 40 I C 0.159 176.233 176.117 -0.072 0.000 1.083 40 I CA -0.200 61.045 61.300 -0.092 0.000 1.372 40 I CB 0.542 38.486 38.000 -0.093 0.000 1.408 40 I HN -0.149 nan 8.210 nan 0.000 0.516 41 V N 3.197 123.075 119.914 -0.059 0.000 2.919 41 V HA 0.459 4.578 4.120 -0.000 0.000 0.316 41 V C 0.913 176.985 176.094 -0.037 0.000 1.077 41 V CA -0.912 61.361 62.300 -0.045 0.000 0.977 41 V CB 1.776 33.576 31.823 -0.037 0.000 1.039 41 V HN 0.709 nan 8.190 nan 0.000 0.441 42 K N 0.975 121.356 120.400 -0.031 0.000 1.986 42 K HA -0.208 4.112 4.320 -0.000 0.000 0.230 42 K C 1.704 178.292 176.600 -0.019 0.000 1.048 42 K CA 2.695 58.967 56.287 -0.025 0.000 1.008 42 K CB -0.342 32.146 32.500 -0.021 0.000 0.737 42 K HN 0.715 nan 8.250 nan 0.000 0.447 43 K N 0.715 121.105 120.400 -0.016 0.000 2.574 43 K HA -0.014 4.306 4.320 -0.000 0.000 0.193 43 K C -0.066 176.530 176.600 -0.008 0.000 1.035 43 K CA 0.530 56.811 56.287 -0.010 0.000 0.982 43 K CB 0.227 32.722 32.500 -0.008 0.000 0.795 43 K HN 0.016 nan 8.250 nan 0.000 0.491 44 K N 1.022 121.414 120.400 -0.014 0.000 2.207 44 K HA 0.191 4.511 4.320 -0.000 0.000 0.255 44 K C -0.467 176.123 176.600 -0.017 0.000 0.941 44 K CA -0.500 55.778 56.287 -0.016 0.000 0.825 44 K CB 1.721 34.205 32.500 -0.026 0.000 1.119 44 K HN 0.010 nan 8.250 nan 0.000 0.430 45 Q N 1.152 120.944 119.800 -0.014 0.000 2.352 45 Q HA 0.237 4.577 4.340 -0.000 0.000 0.260 45 Q C -0.882 175.082 176.000 -0.059 0.000 0.976 45 Q CA -0.258 55.549 55.803 0.007 0.000 0.881 45 Q CB 0.961 29.740 28.738 0.069 0.000 1.235 45 Q HN 0.216 nan 8.270 nan 0.000 0.419 46 V N 4.086 124.021 119.914 0.035 0.000 2.495 46 V HA 0.343 4.463 4.120 -0.000 0.000 0.298 46 V C -1.005 175.259 176.094 0.284 0.000 1.031 46 V CA -0.598 61.735 62.300 0.054 0.000 0.871 46 V CB 1.617 33.478 31.823 0.064 0.000 0.988 46 V HN 0.836 nan 8.190 nan 0.000 0.432 47 H N 5.261 124.485 119.070 0.257 0.000 2.492 47 H HA 0.790 5.346 4.556 -0.000 0.000 0.345 47 H C -0.912 174.652 175.328 0.393 0.000 1.136 47 H CA -0.671 55.533 56.048 0.261 0.000 1.202 47 H CB 1.980 31.914 29.762 0.286 0.000 1.524 47 H HN 0.633 nan 8.280 nan 0.000 0.506 48 F N 0.196 120.155 119.950 0.015 0.000 2.719 48 F HA 0.354 4.881 4.527 -0.000 0.000 0.309 48 F C -2.168 173.448 175.800 -0.306 0.000 1.138 48 F CA -1.745 56.194 58.000 -0.102 0.000 0.943 48 F CB 0.750 39.752 39.000 0.003 0.000 1.304 48 F HN 0.383 nan 8.300 nan 0.000 0.445 49 F N 3.084 122.799 119.950 -0.392 0.000 2.410 49 F HA 0.786 5.313 4.527 0.000 0.000 0.349 49 F C -1.349 174.399 175.800 -0.088 0.000 1.117 49 F CA -1.005 56.742 58.000 -0.423 0.000 1.104 49 F CB 1.264 40.065 39.000 -0.332 0.000 1.122 49 F HN 0.458 nan 8.300 nan 0.000 0.483 50 V N 5.829 125.190 119.914 -0.922 0.000 2.547 50 V HA 0.288 4.408 4.120 -0.000 0.000 0.299 50 V C -0.032 175.352 176.094 -1.183 0.000 1.040 50 V CA -1.043 60.793 62.300 -0.773 0.000 0.913 50 V CB 1.551 33.149 31.823 -0.375 0.000 0.992 50 V HN 0.852 nan 8.190 nan 0.000 0.449 51 N N 2.082 120.316 118.700 -0.778 0.000 2.354 51 N HA 0.373 5.113 4.740 -0.000 0.000 0.246 51 N C 1.229 176.596 175.510 -0.239 0.000 1.285 51 N CA 0.549 53.336 53.050 -0.439 0.000 0.925 51 N CB 1.227 39.653 38.487 -0.103 0.000 1.174 51 N HN 0.787 nan 8.380 nan 0.000 0.478 52 A N 0.781 123.543 122.820 -0.097 0.000 1.859 52 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 52 A C 2.168 179.703 177.584 -0.082 0.000 1.209 52 A CA 2.734 54.730 52.037 -0.069 0.000 0.639 52 A CB -1.661 17.329 19.000 -0.016 0.000 0.835 52 A HN 0.808 nan 8.150 nan 0.000 0.450 53 S N 0.045 115.713 115.700 -0.054 0.000 2.374 53 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 53 S C 1.054 175.598 174.600 -0.094 0.000 1.037 53 S CA 1.644 59.814 58.200 -0.051 0.000 1.024 53 S CB -0.554 62.637 63.200 -0.014 0.000 0.861 53 S HN 0.591 nan 8.310 nan 0.000 0.456 54 D N 0.774 121.100 120.400 -0.124 0.000 2.340 54 D HA 0.248 4.888 4.640 -0.000 0.000 0.217 54 D C 1.646 177.790 176.300 -0.259 0.000 1.081 54 D CA 0.084 53.951 54.000 -0.222 0.000 0.842 54 D CB 0.322 41.018 40.800 -0.173 0.000 0.934 54 D HN 0.334 nan 8.370 nan 0.000 0.511 55 V N 0.967 120.760 119.914 -0.202 0.000 2.407 55 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 55 V C 1.846 177.837 176.094 -0.172 0.000 1.055 55 V CA 1.615 63.799 62.300 -0.193 0.000 1.049 55 V CB -0.239 31.481 31.823 -0.172 0.000 0.662 55 V HN 0.038 nan 8.190 nan 0.000 0.455 56 D N 0.135 120.439 120.400 -0.161 0.000 2.085 56 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 56 D C 2.137 178.338 176.300 -0.165 0.000 0.981 56 D CA 1.024 54.943 54.000 -0.136 0.000 0.834 56 D CB -0.515 40.220 40.800 -0.108 0.000 0.992 56 D HN 0.295 nan 8.370 nan 0.000 0.457 57 N N 0.540 119.093 118.700 -0.246 0.000 2.060 57 N HA -0.141 4.599 4.740 -0.000 0.000 0.195 57 N C 2.006 177.335 175.510 -0.303 0.000 1.028 57 N CA 0.713 53.564 53.050 -0.331 0.000 0.861 57 N CB -0.653 37.475 38.487 -0.599 0.000 1.029 57 N HN 0.078 nan 8.380 nan 0.000 0.428 58 V N 1.485 121.182 119.914 -0.362 0.000 2.295 58 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 58 V C 2.256 178.352 176.094 0.003 0.000 1.049 58 V CA 1.573 63.792 62.300 -0.134 0.000 1.024 58 V CB -0.364 31.410 31.823 -0.082 0.000 0.648 58 V HN 0.321 nan 8.190 nan 0.000 0.447 59 K N 0.115 120.487 120.400 -0.046 0.000 2.026 59 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 59 K C 2.339 178.940 176.600 0.002 0.000 1.048 59 K CA 1.472 57.745 56.287 -0.024 0.000 0.929 59 K CB -0.504 31.961 32.500 -0.060 0.000 0.713 59 K HN 0.455 nan 8.250 nan 0.000 0.439 60 A N 0.772 123.582 122.820 -0.015 0.000 1.917 60 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 60 A C 1.929 179.558 177.584 0.075 0.000 1.182 60 A CA 1.778 53.816 52.037 0.002 0.000 0.633 60 A CB -0.849 18.128 19.000 -0.039 0.000 0.819 60 A HN 0.448 nan 8.150 nan 0.000 0.448 61 H N -1.381 117.681 119.070 -0.013 0.000 2.436 61 H HA 0.149 4.705 4.556 -0.000 0.000 0.294 61 H C 1.965 177.312 175.328 0.031 0.000 1.048 61 H CA 0.720 56.787 56.048 0.033 0.000 1.353 61 H CB 0.042 29.863 29.762 0.098 0.000 1.414 61 H HN 0.406 nan 8.280 nan 0.000 0.536 62 L N 0.170 121.467 121.223 0.123 0.000 2.049 62 L HA -0.174 4.166 4.340 -0.000 0.000 0.203 62 L C 2.483 179.378 176.870 0.040 0.000 1.074 62 L CA 0.686 55.555 54.840 0.048 0.000 0.749 62 L CB -0.437 41.654 42.059 0.053 0.000 0.907 62 L HN 0.344 nan 8.230 nan 0.000 0.439 63 N N 0.351 119.075 118.700 0.039 0.000 2.069 63 N HA -0.204 4.536 4.740 -0.000 0.000 0.196 63 N C 1.559 177.089 175.510 0.033 0.000 1.024 63 N CA 1.725 54.790 53.050 0.025 0.000 0.869 63 N CB -0.209 38.286 38.487 0.014 0.000 1.035 63 N HN 0.079 nan 8.380 nan 0.000 0.434 64 V N -0.018 119.930 119.914 0.058 0.000 3.306 64 V HA 0.027 4.147 4.120 -0.000 0.000 0.264 64 V C 1.615 177.746 176.094 0.062 0.000 1.149 64 V CA 1.046 63.382 62.300 0.060 0.000 1.143 64 V CB -0.050 31.816 31.823 0.070 0.000 0.767 64 V HN 0.264 nan 8.190 nan 0.000 0.476 65 S N 0.083 115.816 115.700 0.056 0.000 2.558 65 S HA 0.272 4.742 4.470 -0.000 0.000 0.217 65 S C 1.650 176.253 174.600 0.006 0.000 0.975 65 S CA 0.701 58.913 58.200 0.021 0.000 0.912 65 S CB 0.534 63.720 63.200 -0.023 0.000 0.776 65 S HN 0.826 nan 8.310 nan 0.000 0.526 66 G N 1.586 110.393 108.800 0.011 0.000 2.132 66 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.234 66 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.234 66 G C -0.051 174.850 174.900 0.002 0.000 0.989 66 G CA -0.277 44.827 45.100 0.005 0.000 0.676 66 G HN 0.498 nan 8.290 nan 0.000 0.522 67 I N 2.845 123.417 120.570 0.002 0.000 2.325 67 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 67 I C -1.319 174.804 176.117 0.010 0.000 1.019 67 I CA -2.224 59.078 61.300 0.003 0.000 1.302 67 I CB 1.108 39.109 38.000 0.001 0.000 1.401 67 I HN -0.069 nan 8.210 nan 0.000 0.485 68 P HA 0.066 nan 4.420 nan 0.000 0.269 68 P C -0.819 176.490 177.300 0.014 0.000 1.209 68 P CA -0.315 62.789 63.100 0.006 0.000 0.776 68 P CB 0.961 32.664 31.700 0.004 0.000 0.876 69 C N 2.205 121.507 119.300 0.002 0.000 3.178 69 C HA 0.489 4.949 4.460 -0.000 0.000 0.428 69 C C -0.770 174.200 174.990 -0.033 0.000 0.967 69 C CA -0.099 58.918 59.018 -0.001 0.000 1.205 69 C CB 0.314 28.059 27.740 0.008 0.000 1.584 69 C HN 0.723 nan 8.230 nan 0.000 0.591 70 S N 3.639 119.306 115.700 -0.056 0.000 2.677 70 S HA 0.852 5.322 4.470 -0.000 0.000 0.304 70 S C -0.875 173.642 174.600 -0.138 0.000 1.108 70 S CA -0.792 57.354 58.200 -0.089 0.000 0.944 70 S CB 1.623 64.769 63.200 -0.090 0.000 1.127 70 S HN 0.932 nan 8.310 nan 0.000 0.511 71 V N 2.235 122.060 119.914 -0.149 0.000 2.370 71 V HA 0.254 4.374 4.120 -0.000 0.000 0.279 71 V C 0.256 176.225 176.094 -0.208 0.000 1.029 71 V CA -0.457 61.729 62.300 -0.190 0.000 0.870 71 V CB 1.075 32.800 31.823 -0.163 0.000 0.984 71 V HN 0.784 nan 8.190 nan 0.000 0.451 72 L N 5.461 126.525 121.223 -0.264 0.000 2.202 72 L HA 0.347 4.687 4.340 -0.000 0.000 0.205 72 L C 0.362 177.076 176.870 -0.260 0.000 1.083 72 L CA 1.503 56.168 54.840 -0.291 0.000 0.790 72 L CB -0.065 41.776 42.059 -0.363 0.000 0.942 72 L HN 0.468 nan 8.230 nan 0.000 0.452 73 L N -1.743 119.346 121.223 -0.222 0.000 2.541 73 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 73 L C 0.633 177.433 176.870 -0.118 0.000 0.966 73 L CA -0.226 54.532 54.840 -0.137 0.000 0.871 73 L CB 1.541 43.550 42.059 -0.085 0.000 1.232 73 L HN -0.158 nan 8.230 nan 0.000 0.408 74 A N 1.012 123.778 122.820 -0.090 0.000 2.119 74 A HA -0.000 4.319 4.320 -0.000 0.000 0.216 74 A C 0.571 178.124 177.584 -0.051 0.000 1.152 74 A CA 1.102 53.090 52.037 -0.082 0.000 0.708 74 A CB -0.077 18.881 19.000 -0.070 0.000 0.805 74 A HN 0.683 nan 8.150 nan 0.000 0.460 75 D N -0.892 119.492 120.400 -0.026 0.000 2.364 75 D HA 0.353 4.993 4.640 -0.000 0.000 0.251 75 D C 0.616 176.922 176.300 0.010 0.000 1.282 75 D CA -0.209 53.787 54.000 -0.005 0.000 0.927 75 D CB 1.233 42.030 40.800 -0.006 0.000 1.267 75 D HN -0.113 nan 8.370 nan 0.000 0.531 76 V N 2.697 122.631 119.914 0.033 0.000 2.379 76 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 76 V C 2.405 178.495 176.094 -0.006 0.000 1.044 76 V CA 1.672 63.991 62.300 0.031 0.000 1.036 76 V CB -0.221 31.661 31.823 0.098 0.000 0.664 76 V HN 0.608 nan 8.190 nan 0.000 0.453 77 E N 0.488 120.696 120.200 0.012 0.000 2.114 77 E HA -0.372 3.978 4.350 -0.000 0.000 0.199 77 E C 1.865 178.451 176.600 -0.024 0.000 1.008 77 E CA 2.284 58.678 56.400 -0.009 0.000 0.810 77 E CB -0.208 29.499 29.700 0.010 0.000 0.739 77 E HN 0.742 nan 8.360 nan 0.000 0.456 78 D N -0.319 120.073 120.400 -0.014 0.000 2.117 78 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 78 D C 2.267 178.551 176.300 -0.026 0.000 0.982 78 D CA 1.060 55.051 54.000 -0.014 0.000 0.828 78 D CB -0.095 40.703 40.800 -0.004 0.000 0.967 78 D HN 0.240 nan 8.370 nan 0.000 0.464 79 L N 0.214 121.419 121.223 -0.030 0.000 1.994 79 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 79 L C 2.605 179.410 176.870 -0.109 0.000 1.071 79 L CA 0.975 55.784 54.840 -0.051 0.000 0.745 79 L CB -0.420 41.620 42.059 -0.030 0.000 0.892 79 L HN 0.176 nan 8.230 nan 0.000 0.431 80 I N -0.802 119.681 120.570 -0.146 0.000 2.113 80 I HA -0.397 3.773 4.170 -0.000 0.000 0.242 80 I C 2.731 178.754 176.117 -0.156 0.000 1.057 80 I CA 1.346 62.513 61.300 -0.222 0.000 1.314 80 I CB -0.458 37.420 38.000 -0.203 0.000 1.022 80 I HN 0.428 nan 8.210 nan 0.000 0.408 81 Q N 0.255 120.003 119.800 -0.087 0.000 2.096 81 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 81 Q C 2.190 178.172 176.000 -0.030 0.000 0.982 81 Q CA 1.737 57.513 55.803 -0.045 0.000 0.850 81 Q CB -0.370 28.355 28.738 -0.022 0.000 0.901 81 Q HN 0.627 nan 8.270 nan 0.000 0.422 82 Q N 0.139 119.918 119.800 -0.035 0.000 2.084 82 Q HA -0.169 4.170 4.340 -0.000 0.000 0.202 82 Q C 2.122 178.121 176.000 -0.002 0.000 0.978 82 Q CA 1.215 57.009 55.803 -0.016 0.000 0.844 82 Q CB 0.050 28.775 28.738 -0.022 0.000 0.898 82 Q HN 0.427 nan 8.270 nan 0.000 0.426 83 Q N -0.268 119.510 119.800 -0.036 0.000 2.172 83 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 83 Q C 1.791 177.808 176.000 0.029 0.000 0.964 83 Q CA 0.758 56.568 55.803 0.012 0.000 0.855 83 Q CB 0.196 28.836 28.738 -0.162 0.000 0.918 83 Q HN 0.423 nan 8.270 nan 0.000 0.444 84 I N 0.308 120.838 120.570 -0.066 0.000 3.059 84 I HA -0.154 4.016 4.170 -0.000 0.000 0.270 84 I C 2.392 178.611 176.117 0.171 0.000 1.238 84 I CA 0.558 61.831 61.300 -0.046 0.000 1.478 84 I CB -0.019 37.965 38.000 -0.028 0.000 1.097 84 I HN 0.121 nan 8.210 nan 0.000 0.455 85 S N 0.748 116.512 115.700 0.108 0.000 2.377 85 S HA -0.088 4.381 4.470 -0.000 0.000 0.223 85 S C 1.619 176.292 174.600 0.122 0.000 1.030 85 S CA 1.039 59.303 58.200 0.106 0.000 0.970 85 S CB -0.508 62.728 63.200 0.060 0.000 0.830 85 S HN 0.372 nan 8.310 nan 0.000 0.473 86 N N 1.843 120.611 118.700 0.112 0.000 2.461 86 N HA 0.120 4.859 4.740 -0.000 0.000 0.188 86 N C 0.948 176.531 175.510 0.121 0.000 1.134 86 N CA 0.499 53.601 53.050 0.087 0.000 0.878 86 N CB -0.282 38.227 38.487 0.037 0.000 0.972 86 N HN 0.442 nan 8.380 nan 0.000 0.456 87 D N 0.025 120.555 120.400 0.216 0.000 2.192 87 D HA -0.187 4.453 4.640 -0.000 0.000 0.189 87 D C 0.990 177.430 176.300 0.232 0.000 1.007 87 D CA 1.576 55.757 54.000 0.301 0.000 0.859 87 D CB -0.076 40.927 40.800 0.337 0.000 0.936 87 D HN 0.191 nan 8.370 nan 0.000 0.447 88 T N -0.740 113.903 114.554 0.148 0.000 3.069 88 T HA 0.135 4.485 4.350 -0.000 0.000 0.252 88 T C 1.941 176.694 174.700 0.089 0.000 1.053 88 T CA 0.096 62.258 62.100 0.103 0.000 0.964 88 T CB 0.446 69.358 68.868 0.072 0.000 1.005 88 T HN -0.057 nan 8.240 nan 0.000 0.532 89 V N 2.736 122.702 119.914 0.087 0.000 2.225 89 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 89 V C 1.669 177.803 176.094 0.066 0.000 1.055 89 V CA 1.969 64.309 62.300 0.066 0.000 1.032 89 V CB -0.927 30.929 31.823 0.055 0.000 0.655 89 V HN 0.665 nan 8.190 nan 0.000 0.458 90 S N 1.041 116.793 115.700 0.087 0.000 2.672 90 S HA 0.499 4.969 4.470 -0.000 0.000 0.276 90 S C -2.560 172.109 174.600 0.115 0.000 1.207 90 S CA -1.369 56.886 58.200 0.093 0.000 1.002 90 S CB 0.913 64.173 63.200 0.100 0.000 0.998 90 S HN 0.327 nan 8.310 nan 0.000 0.542 91 P HA 0.269 nan 4.420 nan 0.000 0.271 91 P C -0.386 176.823 177.300 -0.152 0.000 1.218 91 P CA -0.603 62.473 63.100 -0.040 0.000 0.780 91 P CB 0.343 32.003 31.700 -0.067 0.000 0.901 92 R N 2.527 122.801 120.500 -0.376 0.000 2.537 92 R HA 0.189 4.529 4.340 -0.000 0.000 0.281 92 R C 0.857 176.581 176.300 -0.959 0.000 0.988 92 R CA 1.076 56.644 56.100 -0.886 0.000 1.077 92 R CB -0.736 29.028 30.300 -0.894 0.000 0.932 92 R HN 0.677 nan 8.270 nan 0.000 0.409 93 A N 2.090 124.124 122.820 -1.310 0.000 2.979 93 A HA -0.231 4.089 4.320 -0.000 0.000 0.260 93 A C 0.445 177.978 177.584 -0.084 0.000 1.282 93 A CA 1.311 53.057 52.037 -0.484 0.000 0.971 93 A CB -2.425 16.550 19.000 -0.042 0.000 1.124 93 A HN 0.885 nan 8.150 nan 0.000 0.826 94 S N -1.148 114.476 115.700 -0.127 0.000 2.600 94 S HA 0.660 5.130 4.470 -0.000 0.000 0.265 94 S C 1.632 176.365 174.600 0.222 0.000 1.325 94 S CA 0.364 58.598 58.200 0.058 0.000 1.002 94 S CB 1.301 64.526 63.200 0.042 0.000 0.921 94 S HN 1.895 nan 8.310 nan 0.000 0.554 95 A N 1.783 124.715 122.820 0.187 0.000 1.903 95 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 95 A C 2.453 180.209 177.584 0.286 0.000 1.191 95 A CA 2.488 54.658 52.037 0.222 0.000 0.638 95 A CB -1.656 17.413 19.000 0.114 0.000 0.823 95 A HN 1.396 nan 8.150 nan 0.000 0.451 96 S N -2.430 113.390 115.700 0.200 0.000 2.496 96 S HA -0.090 4.379 4.470 -0.000 0.000 0.224 96 S C 1.754 176.452 174.600 0.163 0.000 0.996 96 S CA 0.873 59.171 58.200 0.163 0.000 0.927 96 S CB -0.682 62.579 63.200 0.102 0.000 0.774 96 S HN 0.634 nan 8.310 nan 0.000 0.524 97 Y N 1.661 121.973 120.300 0.019 0.000 2.224 97 Y HA -0.118 4.432 4.550 0.000 0.000 0.289 97 Y C 1.297 177.171 175.900 -0.042 0.000 1.146 97 Y CA 1.534 59.599 58.100 -0.058 0.000 1.182 97 Y CB -0.388 37.909 38.460 -0.272 0.000 0.983 97 Y HN 0.330 nan 8.280 nan 0.000 0.524 98 Y N 0.603 121.059 120.300 0.260 0.000 2.529 98 Y HA 0.057 4.607 4.550 -0.000 0.000 0.290 98 Y C 0.997 176.989 175.900 0.153 0.000 1.177 98 Y CA 0.519 58.727 58.100 0.180 0.000 1.305 98 Y CB -0.155 38.394 38.460 0.148 0.000 1.047 98 Y HN 0.248 nan 8.280 nan 0.000 0.522 99 E N 0.476 120.776 120.200 0.166 0.000 2.496 99 E HA 0.144 4.494 4.350 -0.000 0.000 0.200 99 E C -0.475 176.027 176.600 -0.163 0.000 1.016 99 E CA -0.006 56.426 56.400 0.054 0.000 0.962 99 E CB 0.180 29.935 29.700 0.092 0.000 1.071 99 E HN 0.495 nan 8.360 nan 0.000 0.457 100 Q N 0.070 119.680 119.800 -0.316 0.000 2.320 100 Q HA 0.305 4.645 4.340 -0.000 0.000 0.272 100 Q C -1.273 174.276 176.000 -0.751 0.000 1.023 100 Q CA -0.885 54.628 55.803 -0.482 0.000 0.855 100 Q CB 1.245 29.790 28.738 -0.322 0.000 1.367 100 Q HN 0.091 nan 8.270 nan 0.000 0.406 101 Y N 1.198 121.335 120.300 -0.271 0.000 2.497 101 Y HA 0.183 4.733 4.550 -0.000 0.000 0.334 101 Y C 0.387 176.161 175.900 -0.210 0.000 1.199 101 Y CA 0.319 58.347 58.100 -0.119 0.000 1.425 101 Y CB 0.532 39.171 38.460 0.298 0.000 1.291 101 Y HN 0.438 nan 8.280 nan 0.000 0.562 102 H N -0.090 119.199 119.070 0.364 0.000 2.600 102 H HA 0.290 4.846 4.556 0.000 0.000 0.357 102 H C -0.286 174.788 175.328 -0.423 0.000 1.106 102 H CA -1.171 54.878 56.048 0.002 0.000 1.193 102 H CB 1.836 31.493 29.762 -0.174 0.000 1.594 102 H HN 0.681 nan 8.280 nan 0.000 0.526 103 S N 1.555 116.612 115.700 -1.072 0.000 2.576 103 S HA -0.044 4.426 4.470 -0.000 0.000 0.272 103 S C 1.553 175.774 174.600 -0.630 0.000 1.352 103 S CA -0.591 56.665 58.200 -1.572 0.000 1.021 103 S CB 0.796 63.263 63.200 -1.221 0.000 0.887 103 S HN 0.551 nan 8.310 nan 0.000 0.542 104 L N 1.892 122.799 121.223 -0.528 0.000 2.043 104 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 104 L C 2.007 178.672 176.870 -0.342 0.000 1.075 104 L CA 2.105 56.736 54.840 -0.349 0.000 0.752 104 L CB -1.505 40.376 42.059 -0.296 0.000 0.891 104 L HN 0.821 nan 8.230 nan 0.000 0.432 105 N N -0.373 118.212 118.700 -0.191 0.000 2.058 105 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 105 N C 1.833 177.364 175.510 0.036 0.000 1.037 105 N CA 1.365 54.432 53.050 0.028 0.000 0.848 105 N CB -0.241 38.259 38.487 0.021 0.000 1.021 105 N HN 0.457 nan 8.380 nan 0.000 0.422 106 E N 0.647 120.805 120.200 -0.070 0.000 2.118 106 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 106 E C 1.789 178.414 176.600 0.042 0.000 0.992 106 E CA 1.052 57.432 56.400 -0.033 0.000 0.804 106 E CB -0.392 29.241 29.700 -0.112 0.000 0.741 106 E HN 0.451 nan 8.360 nan 0.000 0.458 107 I N -0.309 120.250 120.570 -0.018 0.000 2.286 107 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 107 I C 1.660 177.911 176.117 0.223 0.000 1.115 107 I CA 0.913 62.254 61.300 0.069 0.000 1.392 107 I CB -0.255 37.678 38.000 -0.112 0.000 1.065 107 I HN 0.161 nan 8.210 nan 0.000 0.418 108 Y N 0.760 121.166 120.300 0.178 0.000 2.224 108 Y HA -0.213 4.337 4.550 0.000 0.000 0.289 108 Y C 2.892 178.879 175.900 0.145 0.000 1.146 108 Y CA 1.108 59.321 58.100 0.188 0.000 1.182 108 Y CB -0.939 37.629 38.460 0.179 0.000 0.983 108 Y HN 0.127 nan 8.280 nan 0.000 0.524 109 S N -1.121 114.755 115.700 0.293 0.000 2.355 109 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 109 S C 1.708 176.425 174.600 0.194 0.000 1.031 109 S CA 1.119 59.433 58.200 0.189 0.000 0.993 109 S CB -0.947 62.327 63.200 0.124 0.000 0.859 109 S HN 0.699 nan 8.310 nan 0.000 0.453 110 W N 2.443 123.764 121.300 0.035 0.000 2.321 110 W HA -0.145 4.516 4.660 0.001 0.000 0.306 110 W C 1.674 178.260 176.519 0.111 0.000 1.217 110 W CA 1.201 58.560 57.345 0.023 0.000 1.257 110 W CB -0.464 29.009 29.460 0.022 0.000 1.145 110 W HN 0.200 nan 8.180 nan 0.000 0.509 111 I N 0.401 121.047 120.570 0.125 0.000 2.252 111 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 111 I C 2.470 178.454 176.117 -0.221 0.000 1.102 111 I CA 1.404 62.613 61.300 -0.151 0.000 1.385 111 I CB -0.528 37.530 38.000 0.098 0.000 1.064 111 I HN -0.057 nan 8.210 nan 0.000 0.414 112 E N 0.435 120.587 120.200 -0.080 0.000 2.047 112 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 112 E C 2.008 178.531 176.600 -0.129 0.000 0.987 112 E CA 1.337 57.677 56.400 -0.100 0.000 0.799 112 E CB -0.462 29.222 29.700 -0.026 0.000 0.752 112 E HN 0.424 nan 8.360 nan 0.000 0.449 113 F N 1.233 121.041 119.950 -0.235 0.000 2.051 113 F HA -0.200 4.327 4.527 0.001 0.000 0.296 113 F C 2.325 177.931 175.800 -0.323 0.000 1.122 113 F CA 1.079 58.931 58.000 -0.246 0.000 1.201 113 F CB -0.319 38.550 39.000 -0.218 0.000 0.978 113 F HN -0.047 nan 8.300 nan 0.000 0.472 114 I N 0.184 120.591 120.570 -0.271 0.000 2.335 114 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 114 I C 2.303 178.229 176.117 -0.319 0.000 1.129 114 I CA 1.826 62.909 61.300 -0.362 0.000 1.402 114 I CB -0.886 36.600 38.000 -0.857 0.000 1.069 114 I HN 0.224 nan 8.210 nan 0.000 0.424 115 T N -0.410 113.938 114.554 -0.342 0.000 2.857 115 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 115 T C 1.646 176.203 174.700 -0.238 0.000 1.048 115 T CA 1.319 63.271 62.100 -0.247 0.000 1.139 115 T CB -0.090 68.641 68.868 -0.229 0.000 0.874 115 T HN 0.372 nan 8.240 nan 0.000 0.455 116 E N 0.056 120.074 120.200 -0.304 0.000 2.481 116 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 116 E C 2.170 178.536 176.600 -0.390 0.000 1.047 116 E CA 0.177 56.396 56.400 -0.302 0.000 0.867 116 E CB 0.185 29.713 29.700 -0.286 0.000 0.858 116 E HN 0.233 nan 8.360 nan 0.000 0.513 117 R N -0.216 119.979 120.500 -0.508 0.000 2.189 117 R HA 0.041 4.381 4.340 -0.000 0.000 0.203 117 R C 0.254 176.160 176.300 -0.656 0.000 1.012 117 R CA 0.660 56.360 56.100 -0.666 0.000 1.015 117 R CB 0.542 30.304 30.300 -0.898 0.000 0.938 117 R HN 0.161 nan 8.270 nan 0.000 0.472 118 H N 0.160 119.090 119.070 -0.233 0.000 2.535 118 H HA 0.208 4.763 4.556 -0.000 0.000 0.232 118 H C -2.107 173.124 175.328 -0.162 0.000 1.405 118 H CA -1.571 54.367 56.048 -0.183 0.000 1.224 118 H CB 1.707 31.364 29.762 -0.174 0.000 1.763 118 H HN 0.243 nan 8.280 nan 0.000 0.529 119 P HA -0.099 nan 4.420 nan 0.000 0.230 119 P C 0.896 178.163 177.300 -0.055 0.000 1.158 119 P CA 0.780 63.837 63.100 -0.072 0.000 0.769 119 P CB 0.338 31.984 31.700 -0.090 0.000 0.807 120 D N -1.116 119.251 120.400 -0.055 0.000 2.350 120 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 120 D C 1.614 177.859 176.300 -0.092 0.000 0.968 120 D CA 1.001 54.963 54.000 -0.063 0.000 0.894 120 D CB -0.553 40.209 40.800 -0.062 0.000 0.909 120 D HN 0.271 nan 8.370 nan 0.000 0.520 121 M N -0.938 118.607 119.600 -0.091 0.000 2.180 121 M HA 0.245 4.725 4.480 -0.000 0.000 0.289 121 M C -0.135 176.120 176.300 -0.076 0.000 1.089 121 M CA 0.049 55.271 55.300 -0.130 0.000 1.120 121 M CB 1.661 34.137 32.600 -0.208 0.000 1.864 121 M HN -0.175 nan 8.290 nan 0.000 0.636 122 L N 0.701 121.893 121.223 -0.052 0.000 2.386 122 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 122 L C -0.840 176.016 176.870 -0.024 0.000 0.993 122 L CA -0.535 54.284 54.840 -0.034 0.000 0.819 122 L CB 2.193 44.218 42.059 -0.057 0.000 1.294 122 L HN -0.090 nan 8.230 nan 0.000 0.414 123 T N 1.309 115.871 114.554 0.012 0.000 2.824 123 T HA 0.278 4.628 4.350 -0.000 0.000 0.282 123 T C -0.542 174.185 174.700 0.046 0.000 0.993 123 T CA -0.734 61.385 62.100 0.031 0.000 0.967 123 T CB 2.041 70.957 68.868 0.080 0.000 0.960 123 T HN 0.464 nan 8.240 nan 0.000 0.441 124 K N 4.664 125.067 120.400 0.004 0.000 2.248 124 K HA 0.466 4.786 4.320 -0.000 0.000 0.281 124 K C -0.466 176.193 176.600 0.099 0.000 1.054 124 K CA -0.585 55.697 56.287 -0.008 0.000 0.903 124 K CB 0.249 32.643 32.500 -0.176 0.000 1.077 124 K HN 0.648 nan 8.250 nan 0.000 0.474 125 I N 2.474 123.161 120.570 0.195 0.000 2.406 125 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 125 I C -0.137 176.196 176.117 0.360 0.000 0.999 125 I CA -0.977 60.478 61.300 0.259 0.000 1.124 125 I CB 1.430 39.586 38.000 0.259 0.000 1.289 125 I HN 0.649 nan 8.210 nan 0.000 0.441 126 H N 7.380 126.628 119.070 0.298 0.000 2.864 126 H HA 0.276 4.832 4.556 -0.000 0.000 0.281 126 H C 0.644 176.056 175.328 0.140 0.000 1.093 126 H CA -0.087 56.112 56.048 0.252 0.000 1.453 126 H CB 1.538 31.430 29.762 0.217 0.000 1.462 126 H HN 0.865 nan 8.280 nan 0.000 0.480 127 I N 1.818 122.306 120.570 -0.137 0.000 3.860 127 I HA 0.408 4.578 4.170 -0.000 0.000 0.319 127 I C 0.695 176.710 176.117 -0.171 0.000 1.279 127 I CA 0.242 61.503 61.300 -0.065 0.000 1.220 127 I CB 0.679 38.653 38.000 -0.044 0.000 1.027 127 I HN 0.587 nan 8.210 nan 0.000 0.428 128 G N 0.420 108.897 108.800 -0.539 0.000 2.344 128 G HA2 0.351 4.311 3.960 -0.000 0.000 0.282 128 G HA3 0.351 4.311 3.960 -0.000 0.000 0.282 128 G C -1.555 173.126 174.900 -0.364 0.000 1.281 128 G CA -0.306 44.591 45.100 -0.339 0.000 0.877 128 G HN 0.123 nan 8.290 nan 0.000 0.494 129 S N -0.536 115.111 115.700 -0.089 0.000 2.549 129 S HA 0.772 5.242 4.470 -0.000 0.000 0.280 129 S C 0.313 174.952 174.600 0.065 0.000 1.109 129 S CA 0.034 58.238 58.200 0.006 0.000 0.905 129 S CB 1.604 64.831 63.200 0.045 0.000 1.081 129 S HN 1.639 nan 8.310 nan 0.000 0.477 130 S N 1.228 117.009 115.700 0.135 0.000 2.617 130 S HA 0.331 4.801 4.470 -0.000 0.000 0.259 130 S C 0.855 175.587 174.600 0.220 0.000 1.301 130 S CA -0.478 57.845 58.200 0.206 0.000 0.984 130 S CB -0.115 63.263 63.200 0.297 0.000 0.954 130 S HN 0.662 nan 8.310 nan 0.000 0.572 131 F N 0.983 120.995 119.950 0.105 0.000 2.216 131 F HA 0.006 4.533 4.527 0.000 0.000 0.300 131 F C 2.113 177.968 175.800 0.091 0.000 1.085 131 F CA 1.642 59.689 58.000 0.079 0.000 1.326 131 F CB -0.170 38.862 39.000 0.055 0.000 1.027 131 F HN 0.743 nan 8.300 nan 0.000 0.497 132 E N -0.011 120.376 120.200 0.311 0.000 2.465 132 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 132 E C 0.439 177.076 176.600 0.062 0.000 1.053 132 E CA 0.065 56.601 56.400 0.225 0.000 0.869 132 E CB 0.092 30.049 29.700 0.428 0.000 0.977 132 E HN 0.296 nan 8.360 nan 0.000 0.483 133 K N -0.618 119.813 120.400 0.052 0.000 3.379 133 K HA -0.177 4.143 4.320 -0.000 0.000 0.300 133 K C -0.916 175.614 176.600 -0.117 0.000 1.302 133 K CA 0.148 56.402 56.287 -0.055 0.000 0.877 133 K CB -1.448 30.978 32.500 -0.123 0.000 1.343 133 K HN 0.175 nan 8.250 nan 0.000 0.488 134 Y N 1.127 121.473 120.300 0.076 0.000 2.300 134 Y HA 0.242 4.792 4.550 -0.000 0.000 0.328 134 Y C -1.686 174.242 175.900 0.045 0.000 1.270 134 Y CA -1.886 56.266 58.100 0.086 0.000 1.352 134 Y CB 0.265 38.859 38.460 0.224 0.000 1.286 134 Y HN -0.032 nan 8.280 nan 0.000 0.536 135 P HA 0.185 nan 4.420 nan 0.000 0.279 135 P C -1.229 175.941 177.300 -0.216 0.000 1.239 135 P CA -0.133 62.907 63.100 -0.100 0.000 0.789 135 P CB 1.042 32.557 31.700 -0.308 0.000 0.933 136 L N 4.042 125.033 121.223 -0.386 0.000 2.272 136 L HA 0.418 4.758 4.340 -0.000 0.000 0.289 136 L C -0.299 176.356 176.870 -0.359 0.000 1.032 136 L CA -0.716 53.974 54.840 -0.250 0.000 0.810 136 L CB 0.323 42.302 42.059 -0.133 0.000 1.205 136 L HN 0.326 nan 8.230 nan 0.000 0.422 137 Y N 2.219 122.588 120.300 0.115 0.000 2.409 137 Y HA 0.547 5.097 4.550 -0.000 0.000 0.343 137 Y C -0.021 175.915 175.900 0.059 0.000 0.973 137 Y CA -0.969 57.195 58.100 0.107 0.000 1.064 137 Y CB 2.197 40.772 38.460 0.192 0.000 1.207 137 Y HN 0.149 nan 8.280 nan 0.000 0.452 138 V N 4.914 124.944 119.914 0.193 0.000 2.483 138 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 138 V C -0.387 175.791 176.094 0.140 0.000 1.035 138 V CA -0.939 61.405 62.300 0.073 0.000 0.896 138 V CB 1.809 33.566 31.823 -0.110 0.000 0.986 138 V HN 0.567 nan 8.190 nan 0.000 0.447 139 L N 4.863 126.164 121.223 0.129 0.000 2.280 139 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 139 L C 0.301 177.267 176.870 0.159 0.000 1.023 139 L CA -0.298 54.618 54.840 0.127 0.000 0.819 139 L CB 1.175 43.300 42.059 0.110 0.000 1.212 139 L HN 0.551 nan 8.230 nan 0.000 0.420 140 K N 3.749 124.252 120.400 0.171 0.000 2.310 140 K HA 0.319 4.639 4.320 -0.000 0.000 0.290 140 K C -0.904 175.714 176.600 0.030 0.000 1.077 140 K CA -0.476 55.862 56.287 0.086 0.000 0.922 140 K CB 0.766 33.352 32.500 0.143 0.000 1.057 140 K HN 0.334 nan 8.250 nan 0.000 0.479 141 V N 4.487 124.431 119.914 0.050 0.000 2.406 141 V HA 0.165 4.285 4.120 -0.000 0.000 0.272 141 V C 0.624 176.751 176.094 0.056 0.000 1.043 141 V CA 0.011 62.362 62.300 0.084 0.000 0.915 141 V CB 0.733 32.684 31.823 0.214 0.000 0.988 141 V HN 1.061 nan 8.190 nan 0.000 0.466 142 S N 3.557 119.254 115.700 -0.004 0.000 4.703 142 S HA 0.553 5.023 4.470 -0.000 0.000 0.171 142 S C 1.079 175.636 174.600 -0.072 0.000 1.296 142 S CA 0.402 58.592 58.200 -0.017 0.000 1.062 142 S CB 0.045 63.222 63.200 -0.037 0.000 2.076 142 S HN 1.598 nan 8.310 nan 0.000 0.699 143 G N 2.020 110.778 108.800 -0.071 0.000 2.427 143 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.967 143 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.967 143 G C 0.323 175.167 174.900 -0.093 0.000 1.394 143 G CA 1.034 46.085 45.100 -0.081 0.000 0.874 143 G HN 0.808 nan 8.290 nan 0.000 0.501 144 K N -0.050 120.318 120.400 -0.053 0.000 2.242 144 K HA 0.070 4.390 4.320 -0.000 0.000 0.200 144 K C 0.685 177.305 176.600 0.032 0.000 1.050 144 K CA 0.435 56.703 56.287 -0.032 0.000 0.981 144 K CB 0.215 32.716 32.500 0.001 0.000 0.795 144 K HN 0.497 nan 8.250 nan 0.000 0.477 145 E N 2.667 122.914 120.200 0.079 0.000 2.341 145 E HA -0.038 4.312 4.350 -0.000 0.000 0.256 145 E C -0.746 175.878 176.600 0.040 0.000 1.125 145 E CA 0.418 56.855 56.400 0.062 0.000 0.939 145 E CB 0.252 29.999 29.700 0.078 0.000 0.991 145 E HN 0.070 nan 8.360 nan 0.000 0.458 146 Q N 2.733 122.549 119.800 0.026 0.000 2.503 146 Q HA 0.172 4.512 4.340 -0.000 0.000 0.227 146 Q C -0.494 175.519 176.000 0.021 0.000 1.109 146 Q CA -0.197 55.617 55.803 0.019 0.000 0.922 146 Q CB 0.782 29.528 28.738 0.014 0.000 1.249 146 Q HN 0.468 nan 8.270 nan 0.000 0.530 147 T N 0.143 114.709 114.554 0.021 0.000 2.912 147 T HA 0.491 4.841 4.350 -0.000 0.000 0.280 147 T C 0.050 174.761 174.700 0.018 0.000 0.989 147 T CA -0.783 61.329 62.100 0.019 0.000 0.995 147 T CB 1.283 70.162 68.868 0.018 0.000 1.077 147 T HN 0.524 nan 8.240 nan 0.000 0.531 148 A N 2.094 124.925 122.820 0.018 0.000 2.410 148 A HA 0.445 4.765 4.320 -0.000 0.000 0.292 148 A C 0.252 177.844 177.584 0.013 0.000 1.232 148 A CA -0.107 51.942 52.037 0.020 0.000 0.893 148 A CB -0.394 18.618 19.000 0.020 0.000 1.131 148 A HN 0.685 nan 8.150 nan 0.000 0.530 149 K N 2.052 122.459 120.400 0.011 0.000 2.395 149 K HA 0.367 4.687 4.320 -0.000 0.000 0.245 149 K C -0.530 176.069 176.600 -0.001 0.000 1.017 149 K CA -1.176 55.107 56.287 -0.006 0.000 0.852 149 K CB 1.206 33.690 32.500 -0.027 0.000 1.311 149 K HN 0.668 nan 8.250 nan 0.000 0.452 150 N N 0.399 119.086 118.700 -0.021 0.000 2.399 150 N HA 0.276 5.016 4.740 -0.000 0.000 0.250 150 N C -0.747 174.738 175.510 -0.041 0.000 1.272 150 N CA 0.019 53.060 53.050 -0.014 0.000 0.928 150 N CB 0.924 39.394 38.487 -0.030 0.000 1.158 150 N HN 0.604 nan 8.380 nan 0.000 0.463 151 A N 0.570 123.398 122.820 0.013 0.000 2.454 151 A HA 0.735 5.055 4.320 -0.000 0.000 0.302 151 A C -0.584 177.015 177.584 0.025 0.000 1.079 151 A CA -0.639 51.405 52.037 0.012 0.000 0.731 151 A CB 1.016 20.188 19.000 0.288 0.000 1.299 151 A HN 0.574 nan 8.150 nan 0.000 0.413 152 I N 1.685 122.200 120.570 -0.091 0.000 2.474 152 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 152 I C -0.737 175.575 176.117 0.325 0.000 1.005 152 I CA -0.447 60.891 61.300 0.064 0.000 1.113 152 I CB 1.688 39.611 38.000 -0.128 0.000 1.289 152 I HN 0.789 nan 8.210 nan 0.000 0.436 153 W N 8.258 129.697 121.300 0.230 0.000 2.478 153 W HA 0.682 5.341 4.660 -0.001 0.000 0.318 153 W C -1.938 174.629 176.519 0.079 0.000 1.062 153 W CA -0.799 56.697 57.345 0.251 0.000 1.210 153 W CB 1.297 30.945 29.460 0.314 0.000 1.325 153 W HN 0.316 nan 8.180 nan 0.000 0.496 154 I N 5.961 126.224 120.570 -0.511 0.000 2.466 154 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 154 I C -0.793 174.829 176.117 -0.824 0.000 1.026 154 I CA -0.597 60.406 61.300 -0.494 0.000 1.078 154 I CB 2.067 39.852 38.000 -0.358 0.000 1.249 154 I HN 0.337 nan 8.210 nan 0.000 0.429 155 D N 4.870 124.977 120.400 -0.489 0.000 2.340 155 D HA 0.714 5.354 4.640 -0.000 0.000 0.240 155 D C -0.950 175.279 176.300 -0.117 0.000 1.001 155 D CA -0.400 53.447 54.000 -0.255 0.000 0.888 155 D CB 1.943 42.845 40.800 0.171 0.000 1.310 155 D HN 0.365 nan 8.370 nan 0.000 0.474 156 c N -0.147 118.402 118.600 -0.085 0.000 3.080 156 c HA 0.855 5.425 4.570 -0.000 0.000 0.307 156 c C 1.026 175.073 174.090 -0.073 0.000 1.311 156 c CA -0.049 56.239 56.329 -0.068 0.000 1.533 156 c CB 1.029 43.531 42.510 -0.014 0.000 1.970 156 c HN 1.114 nan 8.230 nan 0.000 0.467 157 G N 1.182 109.937 108.800 -0.076 0.000 2.249 157 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 157 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 157 G C 0.495 175.393 174.900 -0.003 0.000 1.036 157 G CA 0.655 45.728 45.100 -0.046 0.000 0.824 157 G HN 0.804 nan 8.290 nan 0.000 0.504 158 I N -0.666 119.865 120.570 -0.066 0.000 2.226 158 I HA -0.051 4.119 4.170 -0.000 0.000 0.245 158 I C 1.476 177.578 176.117 -0.025 0.000 1.100 158 I CA 1.162 62.432 61.300 -0.051 0.000 1.374 158 I CB -0.075 37.866 38.000 -0.098 0.000 1.057 158 I HN 0.424 nan 8.210 nan 0.000 0.413 159 H N -1.016 118.143 119.070 0.149 0.000 2.467 159 H HA 0.353 4.909 4.556 0.000 0.000 0.326 159 H C 1.005 176.430 175.328 0.161 0.000 1.094 159 H CA -0.171 55.961 56.048 0.140 0.000 1.253 159 H CB 1.622 31.475 29.762 0.151 0.000 1.439 159 H HN 0.090 nan 8.280 nan 0.000 0.479 160 A N 3.858 126.872 122.820 0.322 0.000 1.892 160 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 160 A C 2.127 179.975 177.584 0.440 0.000 1.188 160 A CA 1.733 54.015 52.037 0.409 0.000 0.631 160 A CB -0.328 18.947 19.000 0.459 0.000 0.822 160 A HN 0.869 nan 8.150 nan 0.000 0.447 161 R N 0.074 120.668 120.500 0.157 0.000 2.310 161 R HA 0.101 4.441 4.340 -0.000 0.000 0.202 161 R C -0.497 175.702 176.300 -0.168 0.000 0.933 161 R CA 0.595 56.648 56.100 -0.078 0.000 1.054 161 R CB -0.218 29.768 30.300 -0.524 0.000 0.985 161 R HN 0.478 nan 8.270 nan 0.000 0.489 162 E N 1.058 121.317 120.200 0.098 0.000 2.028 162 E HA 0.027 4.377 4.350 -0.000 0.000 0.275 162 E C -0.450 176.397 176.600 0.411 0.000 1.171 162 E CA -0.504 56.023 56.400 0.211 0.000 1.186 162 E CB 0.090 29.947 29.700 0.261 0.000 1.256 162 E HN 0.330 nan 8.360 nan 0.000 0.474 163 W N 0.642 121.984 121.300 0.070 0.000 2.595 163 W HA -0.029 4.631 4.660 0.000 0.000 0.257 163 W C 1.633 178.302 176.519 0.249 0.000 1.267 163 W CA -0.267 57.163 57.345 0.142 0.000 1.300 163 W CB -0.312 29.002 29.460 -0.244 0.000 1.120 163 W HN 0.445 nan 8.180 nan 0.000 0.618 164 I N -0.071 120.776 120.570 0.461 0.000 2.756 164 I HA -0.194 3.976 4.170 -0.000 0.000 0.262 164 I C 2.523 178.853 176.117 0.356 0.000 1.225 164 I CA 1.478 63.065 61.300 0.479 0.000 1.472 164 I CB -0.649 37.570 38.000 0.366 0.000 1.094 164 I HN -0.131 nan 8.210 nan 0.000 0.454 165 S N 1.177 117.052 115.700 0.292 0.000 2.329 165 S HA 0.017 4.487 4.470 -0.000 0.000 0.215 165 S C -0.158 174.556 174.600 0.190 0.000 1.031 165 S CA 1.420 59.743 58.200 0.206 0.000 0.985 165 S CB -1.271 61.990 63.200 0.101 0.000 0.917 165 S HN 0.264 nan 8.310 nan 0.000 0.441 166 P HA 0.009 nan 4.420 nan 0.000 0.218 166 P C 1.426 178.785 177.300 0.097 0.000 1.146 166 P CA 1.504 64.607 63.100 0.004 0.000 0.813 166 P CB -0.277 31.283 31.700 -0.233 0.000 0.778 167 A N -0.936 122.023 122.820 0.231 0.000 1.883 167 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 167 A C 2.100 179.839 177.584 0.258 0.000 1.186 167 A CA 1.605 53.786 52.037 0.239 0.000 0.624 167 A CB -1.845 17.338 19.000 0.306 0.000 0.822 167 A HN 0.180 nan 8.150 nan 0.000 0.444 168 F N 0.166 120.205 119.950 0.149 0.000 2.146 168 F HA -0.188 4.339 4.527 0.000 0.000 0.298 168 F C 2.445 178.385 175.800 0.234 0.000 1.096 168 F CA 1.437 59.538 58.000 0.170 0.000 1.275 168 F CB -0.629 38.429 39.000 0.096 0.000 1.008 168 F HN 0.293 nan 8.300 nan 0.000 0.480 169 c N 0.555 119.209 118.600 0.091 0.000 2.425 169 c HA -0.133 4.437 4.570 -0.000 0.000 0.277 169 c C 2.852 176.949 174.090 0.011 0.000 1.280 169 c CA 0.899 57.217 56.329 -0.018 0.000 1.744 169 c CB -1.312 41.208 42.510 0.016 0.000 1.989 169 c HN 0.482 nan 8.230 nan 0.000 0.491 170 L N -1.387 119.816 121.223 -0.033 0.000 2.056 170 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 170 L C 2.458 179.388 176.870 0.099 0.000 1.078 170 L CA 1.724 56.462 54.840 -0.170 0.000 0.749 170 L CB -0.767 41.057 42.059 -0.392 0.000 0.901 170 L HN 0.553 nan 8.230 nan 0.000 0.433 171 W N 0.517 121.779 121.300 -0.064 0.000 2.358 171 W HA -0.282 4.378 4.660 0.000 0.000 0.303 171 W C 2.548 178.928 176.519 -0.231 0.000 1.208 171 W CA 1.418 58.668 57.345 -0.159 0.000 1.274 171 W CB -0.345 29.067 29.460 -0.081 0.000 1.138 171 W HN 0.007 nan 8.180 nan 0.000 0.515 172 F N 0.744 120.634 119.950 -0.100 0.000 2.065 172 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 172 F C 2.139 177.900 175.800 -0.065 0.000 1.112 172 F CA 2.546 60.480 58.000 -0.110 0.000 1.212 172 F CB -0.673 38.091 39.000 -0.394 0.000 0.975 172 F HN -0.199 nan 8.300 nan 0.000 0.476 173 I N -0.234 120.438 120.570 0.169 0.000 2.252 173 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 173 I C 2.728 178.822 176.117 -0.039 0.000 1.102 173 I CA 1.337 62.733 61.300 0.160 0.000 1.385 173 I CB -1.230 37.063 38.000 0.489 0.000 1.064 173 I HN 0.304 nan 8.210 nan 0.000 0.414 174 G N -0.521 108.165 108.800 -0.191 0.000 2.421 174 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 174 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 174 G C 1.490 176.032 174.900 -0.597 0.000 1.171 174 G CA 0.945 45.695 45.100 -0.584 0.000 0.775 174 G HN 0.349 nan 8.290 nan 0.000 0.543 175 H N 0.019 118.623 119.070 -0.776 0.000 2.357 175 H HA 0.084 4.640 4.556 -0.000 0.000 0.301 175 H C 2.625 177.633 175.328 -0.532 0.000 1.082 175 H CA 1.123 56.718 56.048 -0.755 0.000 1.342 175 H CB 0.048 29.133 29.762 -1.128 0.000 1.389 175 H HN 0.190 nan 8.280 nan 0.000 0.511 176 I N 0.324 120.687 120.570 -0.345 0.000 2.226 176 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 176 I C 2.464 178.446 176.117 -0.224 0.000 1.100 176 I CA 1.855 63.028 61.300 -0.212 0.000 1.374 176 I CB -1.353 36.524 38.000 -0.206 0.000 1.057 176 I HN 0.482 nan 8.210 nan 0.000 0.413 177 T N -1.443 112.915 114.554 -0.326 0.000 2.904 177 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 177 T C 1.739 176.172 174.700 -0.445 0.000 1.059 177 T CA 0.921 62.745 62.100 -0.459 0.000 1.137 177 T CB -0.336 68.086 68.868 -0.744 0.000 0.879 177 T HN 0.383 nan 8.240 nan 0.000 0.467 178 Q N -0.475 119.042 119.800 -0.472 0.000 2.230 178 Q HA 0.166 4.506 4.340 -0.000 0.000 0.202 178 Q C 1.054 176.605 176.000 -0.749 0.000 0.963 178 Q CA 1.034 56.473 55.803 -0.606 0.000 0.866 178 Q CB -0.042 28.227 28.738 -0.782 0.000 0.931 178 Q HN 0.609 nan 8.270 nan 0.000 0.452 179 F N -1.896 117.754 119.950 -0.500 0.000 2.706 179 F HA 0.143 4.670 4.527 -0.000 0.000 0.313 179 F C 0.114 175.766 175.800 -0.246 0.000 1.096 179 F CA -0.883 56.824 58.000 -0.488 0.000 1.219 179 F CB 0.430 38.868 39.000 -0.936 0.000 1.051 179 F HN -0.026 nan 8.300 nan 0.000 0.568 180 Y N 1.289 121.522 120.300 -0.113 0.000 2.721 180 Y HA 0.310 4.860 4.550 -0.000 0.000 0.329 180 Y C 1.339 177.234 175.900 -0.007 0.000 1.211 180 Y CA 0.931 59.026 58.100 -0.010 0.000 1.512 180 Y CB 0.345 38.777 38.460 -0.046 0.000 1.249 180 Y HN 0.359 nan 8.280 nan 0.000 0.549 181 G N 4.504 113.069 108.800 -0.392 0.000 2.284 181 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.247 181 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.247 181 G C 0.862 175.719 174.900 -0.073 0.000 1.012 181 G CA 0.628 45.603 45.100 -0.207 0.000 0.618 181 G HN 0.675 nan 8.290 nan 0.000 0.521 182 I N 0.346 120.903 120.570 -0.021 0.000 2.512 182 I HA 0.347 4.517 4.170 -0.000 0.000 0.247 182 I C 1.196 177.364 176.117 0.085 0.000 1.094 182 I CA 0.555 61.875 61.300 0.033 0.000 1.427 182 I CB 0.089 38.124 38.000 0.058 0.000 1.149 182 I HN 0.091 nan 8.210 nan 0.000 0.438 183 I N 0.798 121.456 120.570 0.147 0.000 2.377 183 I HA 0.213 4.382 4.170 -0.000 0.000 0.293 183 I C 1.346 177.563 176.117 0.166 0.000 0.987 183 I CA -0.254 61.155 61.300 0.182 0.000 1.185 183 I CB 1.885 40.057 38.000 0.287 0.000 1.341 183 I HN 0.069 nan 8.210 nan 0.000 0.455 184 G N 3.582 112.435 108.800 0.088 0.000 2.446 184 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 184 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 184 G C 1.266 176.224 174.900 0.095 0.000 1.168 184 G CA 0.818 45.951 45.100 0.054 0.000 0.771 184 G HN 0.760 nan 8.290 nan 0.000 0.551 185 Q N -0.652 119.188 119.800 0.067 0.000 2.156 185 Q HA -0.257 4.082 4.340 -0.000 0.000 0.211 185 Q C 2.243 178.307 176.000 0.108 0.000 0.995 185 Q CA 2.094 57.907 55.803 0.016 0.000 0.877 185 Q CB -0.318 28.325 28.738 -0.159 0.000 0.920 185 Q HN 0.690 nan 8.270 nan 0.000 0.416 186 Y N -0.549 119.859 120.300 0.180 0.000 2.347 186 Y HA 0.009 4.559 4.550 -0.000 0.000 0.294 186 Y C 2.637 178.627 175.900 0.151 0.000 1.117 186 Y CA 1.117 59.345 58.100 0.214 0.000 1.184 186 Y CB -0.328 38.227 38.460 0.159 0.000 1.047 186 Y HN 0.074 nan 8.280 nan 0.000 0.546 187 T N 0.484 115.119 114.554 0.136 0.000 2.699 187 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 187 T C 1.503 176.230 174.700 0.045 0.000 1.036 187 T CA 1.787 63.767 62.100 -0.200 0.000 1.147 187 T CB -0.304 68.396 68.868 -0.280 0.000 0.862 187 T HN 0.344 nan 8.240 nan 0.000 0.446 188 N N 0.750 119.547 118.700 0.162 0.000 2.446 188 N HA 0.152 4.892 4.740 -0.000 0.000 0.179 188 N C 1.759 177.440 175.510 0.285 0.000 1.054 188 N CA 0.132 53.327 53.050 0.242 0.000 0.905 188 N CB -0.244 38.416 38.487 0.288 0.000 0.973 188 N HN 0.314 nan 8.380 nan 0.000 0.448 189 L N 0.650 122.061 121.223 0.314 0.000 1.988 189 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 189 L C 1.903 178.825 176.870 0.087 0.000 1.071 189 L CA 1.178 56.082 54.840 0.107 0.000 0.744 189 L CB -0.221 41.991 42.059 0.255 0.000 0.893 189 L HN 0.096 nan 8.230 nan 0.000 0.433 190 L N -0.496 120.881 121.223 0.257 0.000 2.109 190 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 190 L C 2.761 179.741 176.870 0.182 0.000 1.086 190 L CA 0.821 55.816 54.840 0.260 0.000 0.760 190 L CB -0.535 41.739 42.059 0.358 0.000 0.910 190 L HN 0.334 nan 8.230 nan 0.000 0.437 191 R N 0.701 121.331 120.500 0.217 0.000 2.139 191 R HA -0.204 4.136 4.340 -0.000 0.000 0.243 191 R C 1.889 178.226 176.300 0.063 0.000 1.145 191 R CA 1.601 57.793 56.100 0.153 0.000 0.976 191 R CB -0.085 30.302 30.300 0.144 0.000 0.866 191 R HN 0.370 nan 8.270 nan 0.000 0.449 192 L N -0.892 120.331 121.223 0.000 0.000 2.470 192 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 192 L C 0.596 177.393 176.870 -0.123 0.000 1.071 192 L CA -0.120 54.680 54.840 -0.067 0.000 0.850 192 L CB 0.962 42.952 42.059 -0.115 0.000 1.040 192 L HN -0.069 nan 8.230 nan 0.000 0.475 193 V N -1.139 118.674 119.914 -0.167 0.000 3.130 193 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 193 V C -1.570 174.374 176.094 -0.250 0.000 1.158 193 V CA -0.741 61.408 62.300 -0.250 0.000 1.029 193 V CB 2.730 34.307 31.823 -0.410 0.000 1.057 193 V HN -0.060 nan 8.190 nan 0.000 0.436 194 D N 1.565 121.783 120.400 -0.303 0.000 2.299 194 D HA 0.572 5.211 4.640 -0.000 0.000 0.243 194 D C -1.324 174.714 176.300 -0.438 0.000 0.982 194 D CA 0.245 54.095 54.000 -0.251 0.000 0.924 194 D CB 1.806 42.474 40.800 -0.221 0.000 1.238 194 D HN 0.322 nan 8.370 nan 0.000 0.484 195 F N 0.617 120.505 119.950 -0.103 0.000 2.529 195 F HA 0.341 4.868 4.527 -0.000 0.000 0.320 195 F C -0.561 175.137 175.800 -0.171 0.000 1.118 195 F CA -0.882 57.095 58.000 -0.038 0.000 0.915 195 F CB 1.332 40.411 39.000 0.131 0.000 1.161 195 F HN 0.120 nan 8.300 nan 0.000 0.445 196 Y N 2.761 123.238 120.300 0.295 0.000 2.353 196 Y HA 0.585 5.134 4.550 -0.001 0.000 0.340 196 Y C -0.400 175.425 175.900 -0.125 0.000 0.972 196 Y CA -1.006 57.216 58.100 0.204 0.000 1.157 196 Y CB 1.385 40.153 38.460 0.513 0.000 1.157 196 Y HN 0.182 nan 8.280 nan 0.000 0.495 197 V N 5.640 125.528 119.914 -0.044 0.000 2.444 197 V HA 0.377 4.497 4.120 -0.000 0.000 0.294 197 V C -0.353 175.591 176.094 -0.249 0.000 1.022 197 V CA -0.963 61.199 62.300 -0.229 0.000 0.850 197 V CB 1.703 33.496 31.823 -0.051 0.000 0.992 197 V HN 0.793 nan 8.190 nan 0.000 0.426 198 M N 7.738 127.076 119.600 -0.436 0.000 2.044 198 M HA 0.423 4.903 4.480 -0.000 0.000 0.333 198 M C -2.076 174.158 176.300 -0.110 0.000 1.004 198 M CA -1.913 53.251 55.300 -0.227 0.000 0.954 198 M CB 2.564 35.011 32.600 -0.254 0.000 1.468 198 M HN 0.339 nan 8.290 nan 0.000 0.414 199 P HA 0.022 nan 4.420 nan 0.000 0.222 199 P C -0.533 176.718 177.300 -0.082 0.000 1.153 199 P CA 0.635 63.723 63.100 -0.021 0.000 0.798 199 P CB 0.267 31.997 31.700 0.050 0.000 0.796 200 V N -0.200 119.675 119.914 -0.065 0.000 2.509 200 V HA 0.097 4.217 4.120 -0.000 0.000 0.289 200 V C 1.147 177.236 176.094 -0.008 0.000 1.026 200 V CA -0.347 61.886 62.300 -0.111 0.000 0.872 200 V CB 1.898 33.573 31.823 -0.246 0.000 1.017 200 V HN -0.275 nan 8.190 nan 0.000 0.436 201 V N 2.492 122.427 119.914 0.034 0.000 2.302 201 V HA -0.035 4.084 4.120 -0.000 0.000 0.243 201 V C 1.387 177.541 176.094 0.100 0.000 1.036 201 V CA 1.545 63.909 62.300 0.105 0.000 1.020 201 V CB -0.200 31.722 31.823 0.165 0.000 0.657 201 V HN 0.880 nan 8.190 nan 0.000 0.453 202 N N 0.743 119.501 118.700 0.096 0.000 2.968 202 N HA 0.091 4.831 4.740 -0.000 0.000 0.271 202 N C 0.577 176.176 175.510 0.148 0.000 1.174 202 N CA 0.156 53.289 53.050 0.138 0.000 1.096 202 N CB 0.834 39.425 38.487 0.173 0.000 1.403 202 N HN 0.068 nan 8.380 nan 0.000 0.522 203 V N 1.844 121.829 119.914 0.118 0.000 2.307 203 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 203 V C 1.264 177.403 176.094 0.075 0.000 1.045 203 V CA 1.748 64.092 62.300 0.073 0.000 1.024 203 V CB -0.141 31.742 31.823 0.101 0.000 0.651 203 V HN 0.547 nan 8.190 nan 0.000 0.449 204 D N 0.285 120.760 120.400 0.125 0.000 2.117 204 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 204 D C 2.086 178.508 176.300 0.204 0.000 0.987 204 D CA 1.615 55.691 54.000 0.127 0.000 0.829 204 D CB -0.662 40.262 40.800 0.206 0.000 0.961 204 D HN 0.507 nan 8.370 nan 0.000 0.460 205 G N -0.438 108.532 108.800 0.284 0.000 2.421 205 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 205 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 205 G C 1.551 176.722 174.900 0.452 0.000 1.143 205 G CA 0.239 45.604 45.100 0.442 0.000 0.784 205 G HN 0.229 nan 8.290 nan 0.000 0.541 206 Y N 1.462 121.884 120.300 0.204 0.000 2.145 206 Y HA -0.118 4.433 4.550 0.000 0.000 0.286 206 Y C 2.409 178.399 175.900 0.150 0.000 1.145 206 Y CA 1.927 60.113 58.100 0.144 0.000 1.148 206 Y CB -0.211 38.242 38.460 -0.011 0.000 0.981 206 Y HN 0.294 nan 8.280 nan 0.000 0.507 207 D N -1.387 119.075 120.400 0.102 0.000 2.117 207 D HA -0.255 4.385 4.640 -0.000 0.000 0.198 207 D C 2.058 178.400 176.300 0.070 0.000 0.982 207 D CA 1.363 55.344 54.000 -0.031 0.000 0.828 207 D CB -0.579 40.157 40.800 -0.108 0.000 0.967 207 D HN 0.454 nan 8.370 nan 0.000 0.464 208 Y N 0.749 121.056 120.300 0.012 0.000 2.224 208 Y HA -0.198 4.352 4.550 -0.000 0.000 0.289 208 Y C 2.418 178.334 175.900 0.027 0.000 1.146 208 Y CA 1.998 60.080 58.100 -0.030 0.000 1.182 208 Y CB -0.492 37.882 38.460 -0.143 0.000 0.983 208 Y HN 0.076 nan 8.280 nan 0.000 0.524 209 S N -1.490 114.341 115.700 0.218 0.000 2.453 209 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 209 S C 1.618 176.339 174.600 0.201 0.000 1.005 209 S CA 0.841 59.181 58.200 0.233 0.000 0.949 209 S CB -0.814 62.626 63.200 0.399 0.000 0.774 209 S HN 0.586 nan 8.310 nan 0.000 0.510 210 W N 1.914 123.158 121.300 -0.094 0.000 2.480 210 W HA 0.367 5.027 4.660 0.000 0.000 0.299 210 W C 2.547 179.019 176.519 -0.078 0.000 1.187 210 W CA 0.521 57.825 57.345 -0.069 0.000 1.347 210 W CB -0.045 29.252 29.460 -0.273 0.000 1.121 210 W HN 0.242 nan 8.180 nan 0.000 0.533 211 K N -0.245 120.203 120.400 0.080 0.000 2.305 211 K HA 0.018 4.338 4.320 -0.000 0.000 0.199 211 K C 1.491 177.988 176.600 -0.171 0.000 1.047 211 K CA 0.968 57.238 56.287 -0.029 0.000 0.976 211 K CB 0.149 32.622 32.500 -0.044 0.000 0.765 211 K HN 0.093 nan 8.250 nan 0.000 0.474 212 K N -1.058 119.131 120.400 -0.352 0.000 2.757 212 K HA 0.075 4.395 4.320 -0.000 0.000 0.201 212 K C 0.012 176.405 176.600 -0.344 0.000 1.495 212 K CA -0.093 55.922 56.287 -0.453 0.000 1.090 212 K CB 0.330 32.317 32.500 -0.854 0.000 1.796 212 K HN -0.107 nan 8.250 nan 0.000 0.523 213 N N 1.552 120.012 118.700 -0.399 0.000 2.531 213 N HA 0.133 4.873 4.740 -0.000 0.000 0.268 213 N C 0.090 175.630 175.510 0.049 0.000 1.023 213 N CA -0.045 52.960 53.050 -0.074 0.000 0.896 213 N CB 1.748 40.311 38.487 0.126 0.000 1.233 213 N HN -0.061 nan 8.380 nan 0.000 0.512 214 R N 3.345 123.828 120.500 -0.029 0.000 2.235 214 R HA 0.190 4.530 4.340 -0.000 0.000 0.213 214 R C 0.943 177.215 176.300 -0.045 0.000 1.059 214 R CA 1.425 57.477 56.100 -0.081 0.000 0.997 214 R CB 0.073 30.227 30.300 -0.244 0.000 0.884 214 R HN 0.532 nan 8.270 nan 0.000 0.462 215 M N -0.699 118.927 119.600 0.044 0.000 2.495 215 M HA 0.079 4.559 4.480 -0.000 0.000 0.237 215 M C -0.031 176.390 176.300 0.202 0.000 1.131 215 M CA -0.401 54.959 55.300 0.101 0.000 1.032 215 M CB -0.893 31.813 32.600 0.176 0.000 1.513 215 M HN 0.161 nan 8.290 nan 0.000 0.488 216 W N 2.123 123.468 121.300 0.074 0.000 2.193 216 W HA -0.016 4.643 4.660 -0.000 0.000 0.338 216 W C 1.177 177.732 176.519 0.060 0.000 1.310 216 W CA 0.333 57.755 57.345 0.128 0.000 1.243 216 W CB 0.765 30.388 29.460 0.272 0.000 1.165 216 W HN 0.278 nan 8.180 nan 0.000 0.566 217 R N 2.629 122.840 120.500 -0.480 0.000 2.257 217 R HA 0.105 4.445 4.340 -0.000 0.000 0.195 217 R C 0.274 176.432 176.300 -0.237 0.000 0.921 217 R CA 0.323 56.234 56.100 -0.315 0.000 1.069 217 R CB 0.289 30.381 30.300 -0.346 0.000 1.115 217 R HN 0.290 nan 8.270 nan 0.000 0.571 218 K N 0.948 120.960 120.400 -0.647 0.000 2.177 218 K HA 0.159 4.479 4.320 -0.000 0.000 0.238 218 K C -0.096 176.553 176.600 0.082 0.000 1.015 218 K CA -0.938 55.194 56.287 -0.257 0.000 0.922 218 K CB 0.413 32.709 32.500 -0.341 0.000 1.127 218 K HN -0.058 nan 8.250 nan 0.000 0.469 219 N N 1.123 119.922 118.700 0.165 0.000 2.044 219 N HA -0.171 4.569 4.740 -0.000 0.000 0.206 219 N C 0.013 175.713 175.510 0.317 0.000 1.365 219 N CA 0.856 54.031 53.050 0.208 0.000 0.868 219 N CB 0.384 38.927 38.487 0.092 0.000 1.002 219 N HN 0.396 nan 8.380 nan 0.000 0.435 220 R N -0.530 120.043 120.500 0.122 0.000 2.642 220 R HA 0.104 4.444 4.340 -0.000 0.000 0.435 220 R C -0.247 175.878 176.300 -0.293 0.000 1.046 220 R CA -0.297 55.799 56.100 -0.007 0.000 1.103 220 R CB -0.672 29.613 30.300 -0.025 0.000 1.425 220 R HN 0.581 nan 8.270 nan 0.000 0.586 221 S N 0.426 115.783 115.700 -0.572 0.000 2.562 221 S HA 0.352 4.822 4.470 -0.000 0.000 0.281 221 S C -0.203 173.896 174.600 -0.836 0.000 1.333 221 S CA -0.272 57.039 58.200 -1.481 0.000 1.052 221 S CB 0.723 63.214 63.200 -1.182 0.000 0.884 221 S HN 0.243 nan 8.310 nan 0.000 0.506 222 F N 3.206 122.484 119.950 -1.120 0.000 2.556 222 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 222 F C -1.561 173.931 175.800 -0.513 0.000 1.106 222 F CA -1.250 56.425 58.000 -0.542 0.000 0.911 222 F CB 1.146 40.030 39.000 -0.193 0.000 1.190 222 F HN 0.702 nan 8.300 nan 0.000 0.448 223 Y N 2.847 122.532 120.300 -1.026 0.000 2.914 223 Y HA 0.703 5.252 4.550 -0.000 0.000 0.315 223 Y C 1.187 176.529 175.900 -0.930 0.000 1.345 223 Y CA -0.337 57.333 58.100 -0.718 0.000 1.121 223 Y CB 0.122 38.412 38.460 -0.283 0.000 1.363 223 Y HN 0.660 nan 8.280 nan 0.000 0.566 224 A N 0.773 123.477 122.820 -0.194 0.000 1.844 224 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 224 A C 0.672 178.152 177.584 -0.175 0.000 1.217 224 A CA 2.349 54.304 52.037 -0.136 0.000 0.644 224 A CB -1.005 17.970 19.000 -0.041 0.000 0.850 224 A HN 0.806 nan 8.150 nan 0.000 0.456 225 N N 0.087 118.717 118.700 -0.116 0.000 2.467 225 N HA 0.221 4.961 4.740 -0.000 0.000 0.278 225 N C -1.062 174.373 175.510 -0.126 0.000 1.306 225 N CA -0.112 52.873 53.050 -0.107 0.000 0.905 225 N CB 0.210 38.658 38.487 -0.065 0.000 1.236 225 N HN 0.512 nan 8.380 nan 0.000 0.509 226 N N -0.504 118.130 118.700 -0.110 0.000 2.529 226 N HA 0.090 4.830 4.740 -0.000 0.000 0.278 226 N C 0.298 175.838 175.510 0.050 0.000 1.146 226 N CA -0.312 52.725 53.050 -0.022 0.000 0.980 226 N CB 0.809 39.300 38.487 0.006 0.000 1.124 226 N HN 0.301 nan 8.380 nan 0.000 0.458 227 H N -0.051 119.082 119.070 0.105 0.000 2.547 227 H HA 0.176 4.732 4.556 -0.000 0.000 0.272 227 H C -0.200 175.215 175.328 0.146 0.000 0.989 227 H CA 0.470 56.593 56.048 0.125 0.000 1.214 227 H CB 0.333 30.130 29.762 0.058 0.000 1.389 227 H HN 0.358 nan 8.280 nan 0.000 0.577 228 c N -0.037 118.707 118.600 0.240 0.000 2.971 228 c HA 0.481 5.051 4.570 -0.000 0.000 0.310 228 c C -0.034 174.207 174.090 0.252 0.000 1.285 228 c CA -1.167 55.277 56.329 0.191 0.000 1.593 228 c CB 1.540 44.112 42.510 0.104 0.000 2.076 228 c HN 0.195 nan 8.230 nan 0.000 0.472 229 I N 2.319 123.024 120.570 0.225 0.000 2.385 229 I HA 0.634 4.804 4.170 -0.000 0.000 0.294 229 I C 0.622 176.927 176.117 0.314 0.000 0.988 229 I CA 0.923 62.358 61.300 0.225 0.000 1.265 229 I CB 0.854 38.891 38.000 0.062 0.000 1.388 229 I HN 1.002 nan 8.210 nan 0.000 0.480 230 G N 3.301 112.235 108.800 0.222 0.000 2.770 230 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 230 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 230 G C -0.798 174.264 174.900 0.270 0.000 1.180 230 G CA -1.037 44.202 45.100 0.231 0.000 0.767 230 G HN 0.580 nan 8.290 nan 0.000 0.646 231 T N 1.347 116.021 114.554 0.201 0.000 2.876 231 T HA 0.537 4.887 4.350 -0.000 0.000 0.289 231 T C -0.710 174.051 174.700 0.100 0.000 1.014 231 T CA -0.437 61.779 62.100 0.194 0.000 0.986 231 T CB 1.910 70.823 68.868 0.074 0.000 1.021 231 T HN 0.732 nan 8.240 nan 0.000 0.458 232 D N 2.700 123.156 120.400 0.093 0.000 2.352 232 D HA 0.160 4.800 4.640 -0.000 0.000 0.245 232 D C 1.299 177.683 176.300 0.140 0.000 1.224 232 D CA -0.381 53.698 54.000 0.132 0.000 0.879 232 D CB 0.469 41.353 40.800 0.140 0.000 1.057 232 D HN 0.421 nan 8.370 nan 0.000 0.491 233 L N 3.244 124.551 121.223 0.139 0.000 2.187 233 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 233 L C 1.633 178.625 176.870 0.205 0.000 1.100 233 L CA 0.648 55.541 54.840 0.089 0.000 0.765 233 L CB -0.363 41.743 42.059 0.079 0.000 0.904 233 L HN 0.320 nan 8.230 nan 0.000 0.437 234 N N -0.019 118.849 118.700 0.281 0.000 2.421 234 N HA -0.036 4.704 4.740 -0.000 0.000 0.201 234 N C 1.024 176.737 175.510 0.338 0.000 1.198 234 N CA 0.297 53.573 53.050 0.377 0.000 0.838 234 N CB 0.205 38.869 38.487 0.296 0.000 1.011 234 N HN 0.119 nan 8.380 nan 0.000 0.463 235 R N -0.991 119.670 120.500 0.267 0.000 2.535 235 R HA 0.221 4.561 4.340 -0.000 0.000 0.323 235 R C 0.585 177.049 176.300 0.273 0.000 0.979 235 R CA -0.075 56.153 56.100 0.213 0.000 1.120 235 R CB -0.257 30.103 30.300 0.100 0.000 1.306 235 R HN 0.276 nan 8.270 nan 0.000 0.540 236 N N 0.013 118.849 118.700 0.227 0.000 2.254 236 N HA 0.090 4.830 4.740 -0.000 0.000 0.190 236 N C -0.281 175.188 175.510 -0.068 0.000 1.107 236 N CA -0.091 53.035 53.050 0.125 0.000 0.869 236 N CB 0.435 38.863 38.487 -0.099 0.000 0.983 236 N HN -0.091 nan 8.380 nan 0.000 0.487 237 F N 1.214 121.168 119.950 0.006 0.000 2.440 237 F HA 0.217 4.743 4.527 -0.000 0.000 0.323 237 F C 1.304 177.013 175.800 -0.152 0.000 1.192 237 F CA -0.466 57.412 58.000 -0.204 0.000 1.252 237 F CB 0.632 39.526 39.000 -0.176 0.000 1.214 237 F HN -0.068 nan 8.300 nan 0.000 0.578 238 A N 1.801 124.524 122.820 -0.160 0.000 3.168 238 A HA 0.375 4.694 4.320 -0.000 0.000 0.260 238 A C 0.219 177.962 177.584 0.266 0.000 1.598 238 A CA -0.189 51.829 52.037 -0.032 0.000 1.285 238 A CB -1.157 17.785 19.000 -0.097 0.000 1.149 238 A HN 0.607 nan 8.150 nan 0.000 0.630 239 S N 0.447 116.332 115.700 0.308 0.000 2.652 239 S HA 0.418 4.888 4.470 -0.000 0.000 0.270 239 S C 0.018 174.636 174.600 0.030 0.000 1.243 239 S CA -0.590 57.769 58.200 0.266 0.000 0.999 239 S CB 0.583 63.982 63.200 0.332 0.000 0.973 239 S HN 0.491 nan 8.310 nan 0.000 0.544 240 K N 1.555 121.757 120.400 -0.329 0.000 2.484 240 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 240 K C 0.094 176.492 176.600 -0.337 0.000 1.013 240 K CA 0.585 56.606 56.287 -0.442 0.000 1.029 240 K CB -0.270 31.769 32.500 -0.768 0.000 0.902 240 K HN 0.885 nan 8.250 nan 0.000 0.481 241 H N -0.878 118.084 119.070 -0.179 0.000 3.282 241 H HA -0.157 4.399 4.556 -0.000 0.000 0.202 241 H C -0.422 174.923 175.328 0.028 0.000 1.097 241 H CA -0.097 55.906 56.048 -0.076 0.000 1.151 241 H CB -1.394 28.307 29.762 -0.102 0.000 1.128 241 H HN 0.748 nan 8.280 nan 0.000 0.319 242 W N 1.680 123.007 121.300 0.045 0.000 2.551 242 W HA -0.011 4.649 4.660 0.000 0.000 0.336 242 W C 1.247 177.784 176.519 0.029 0.000 1.158 242 W CA 1.811 59.179 57.345 0.039 0.000 1.258 242 W CB 0.013 29.486 29.460 0.021 0.000 1.157 242 W HN 0.473 nan 8.180 nan 0.000 0.562 243 c N 3.600 121.587 118.600 -1.022 0.000 4.265 243 c HA -0.292 4.278 4.570 -0.000 0.000 0.287 243 c C 1.425 175.277 174.090 -0.396 0.000 1.451 243 c CA 1.101 56.876 56.329 -0.923 0.000 1.966 243 c CB -2.398 39.198 42.510 -1.522 0.000 1.302 243 c HN 0.873 nan 8.230 nan 0.000 0.794 244 E N -0.109 119.968 120.200 -0.204 0.000 4.416 244 E HA 0.236 4.586 4.350 -0.000 0.000 0.416 244 E C 0.326 176.890 176.600 -0.060 0.000 1.099 244 E CA -0.570 55.768 56.400 -0.103 0.000 2.560 244 E CB 0.094 29.754 29.700 -0.067 0.000 1.873 244 E HN 0.569 nan 8.360 nan 0.000 0.726 245 E N -0.341 119.854 120.200 -0.009 0.000 2.652 245 E HA -0.025 4.325 4.350 -0.000 0.000 0.255 245 E C 0.104 176.729 176.600 0.042 0.000 0.952 245 E CA 1.089 57.500 56.400 0.018 0.000 0.947 245 E CB -0.151 29.577 29.700 0.046 0.000 0.912 245 E HN 0.651 nan 8.360 nan 0.000 0.489 246 G N 2.183 111.006 108.800 0.038 0.000 2.131 246 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.223 246 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.223 246 G C -0.138 174.806 174.900 0.073 0.000 0.990 246 G CA -0.136 45.017 45.100 0.090 0.000 0.671 246 G HN 0.994 nan 8.290 nan 0.000 0.521 247 A N -1.109 121.712 122.820 0.001 0.000 2.566 247 A HA 0.881 5.201 4.320 -0.000 0.000 0.297 247 A C -0.233 177.314 177.584 -0.062 0.000 1.059 247 A CA 0.658 52.673 52.037 -0.036 0.000 0.691 247 A CB 1.280 20.212 19.000 -0.112 0.000 1.282 247 A HN 1.599 nan 8.150 nan 0.000 0.401 248 S N 0.088 115.777 115.700 -0.019 0.000 2.616 248 S HA 0.563 5.033 4.470 -0.000 0.000 0.277 248 S C 1.067 175.701 174.600 0.056 0.000 1.234 248 S CA 0.268 58.477 58.200 0.015 0.000 1.028 248 S CB 0.807 64.038 63.200 0.052 0.000 0.988 248 S HN 1.624 nan 8.310 nan 0.000 0.522 249 S N 1.785 117.522 115.700 0.063 0.000 2.568 249 S HA 0.235 4.705 4.470 -0.000 0.000 0.232 249 S C 0.327 175.045 174.600 0.197 0.000 0.975 249 S CA -0.488 57.800 58.200 0.147 0.000 0.949 249 S CB 0.132 63.351 63.200 0.032 0.000 0.829 249 S HN 0.458 nan 8.310 nan 0.000 0.479 250 S N 2.202 117.965 115.700 0.105 0.000 2.438 250 S HA 0.367 4.837 4.470 -0.000 0.000 0.293 250 S C 1.306 175.721 174.600 -0.309 0.000 1.141 250 S CA -0.165 58.005 58.200 -0.050 0.000 1.080 250 S CB 0.897 64.077 63.200 -0.034 0.000 0.978 250 S HN 0.501 nan 8.310 nan 0.000 0.479 251 S N 3.336 118.667 115.700 -0.614 0.000 2.440 251 S HA -0.115 4.355 4.470 -0.000 0.000 0.238 251 S C 1.626 175.959 174.600 -0.446 0.000 1.010 251 S CA 1.054 58.588 58.200 -1.111 0.000 0.972 251 S CB -0.843 61.983 63.200 -0.623 0.000 0.774 251 S HN 0.773 nan 8.310 nan 0.000 0.501 252 c N 1.659 120.141 118.600 -0.196 0.000 2.539 252 c HA 0.361 4.931 4.570 -0.000 0.000 0.268 252 c C 1.762 175.829 174.090 -0.037 0.000 1.395 252 c CA -0.299 55.995 56.329 -0.058 0.000 1.757 252 c CB -1.462 41.038 42.510 -0.016 0.000 1.851 252 c HN 0.669 nan 8.230 nan 0.000 0.545 253 S N 0.905 116.580 115.700 -0.042 0.000 2.592 253 S HA 0.091 4.561 4.470 -0.000 0.000 0.271 253 S C 1.071 175.673 174.600 0.003 0.000 1.326 253 S CA -0.075 58.123 58.200 -0.003 0.000 1.024 253 S CB 0.536 63.749 63.200 0.022 0.000 0.921 253 S HN 0.422 nan 8.310 nan 0.000 0.527 254 E N 1.561 121.748 120.200 -0.021 0.000 2.481 254 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 254 E C 0.992 177.580 176.600 -0.021 0.000 1.047 254 E CA 0.626 56.984 56.400 -0.071 0.000 0.867 254 E CB -0.052 29.591 29.700 -0.095 0.000 0.858 254 E HN 0.800 nan 8.360 nan 0.000 0.513 255 T N -1.787 112.786 114.554 0.031 0.000 3.269 255 T HA 0.082 4.432 4.350 -0.000 0.000 0.269 255 T C 0.094 174.853 174.700 0.098 0.000 0.993 255 T CA -0.667 61.469 62.100 0.060 0.000 0.909 255 T CB -0.717 68.176 68.868 0.042 0.000 1.115 255 T HN -0.048 nan 8.240 nan 0.000 0.543 256 Y N 2.171 122.462 120.300 -0.016 0.000 2.526 256 Y HA 0.310 4.860 4.550 0.000 0.000 0.330 256 Y C 1.397 177.308 175.900 0.018 0.000 1.156 256 Y CA -1.849 56.245 58.100 -0.009 0.000 1.419 256 Y CB 0.474 38.939 38.460 0.008 0.000 1.250 256 Y HN 0.508 nan 8.280 nan 0.000 0.540 257 c N 4.063 122.382 118.600 -0.468 0.000 2.791 257 c HA 0.718 5.288 4.570 -0.000 0.000 0.270 257 c C 1.012 174.922 174.090 -0.300 0.000 1.257 257 c CA 0.031 56.153 56.329 -0.346 0.000 1.699 257 c CB -1.517 40.670 42.510 -0.538 0.000 1.904 257 c HN 1.418 nan 8.230 nan 0.000 0.603 258 G N 0.879 109.047 108.800 -1.054 0.000 2.685 258 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.387 258 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.387 258 G C 0.045 174.787 174.900 -0.263 0.000 1.324 258 G CA -0.166 44.543 45.100 -0.651 0.000 0.878 258 G HN 0.485 nan 8.290 nan 0.000 0.527 259 L N -0.099 120.947 121.223 -0.296 0.000 2.131 259 L HA 0.202 4.542 4.340 -0.000 0.000 0.210 259 L C 1.320 178.143 176.870 -0.079 0.000 1.092 259 L CA 2.147 56.825 54.840 -0.271 0.000 0.759 259 L CB -0.655 41.020 42.059 -0.640 0.000 0.903 259 L HN 0.914 nan 8.230 nan 0.000 0.435 260 Y N -6.124 114.073 120.300 -0.172 0.000 2.889 260 Y HA 0.386 4.935 4.550 -0.000 0.000 0.379 260 Y C -3.080 172.269 175.900 -0.918 0.000 1.179 260 Y CA -2.535 55.141 58.100 -0.707 0.000 1.178 260 Y CB -0.138 38.040 38.460 -0.469 0.000 1.460 260 Y HN -0.347 nan 8.280 nan 0.000 0.472 261 P HA 0.084 nan 4.420 nan 0.000 0.261 261 P C -0.638 176.475 177.300 -0.312 0.000 1.183 261 P CA 1.322 63.955 63.100 -0.779 0.000 0.761 261 P CB 0.299 31.570 31.700 -0.715 0.000 0.785 262 E N 0.531 120.509 120.200 -0.370 0.000 2.791 262 E HA -0.236 4.114 4.350 -0.000 0.000 0.271 262 E C 0.860 177.316 176.600 -0.241 0.000 1.044 262 E CA 0.762 56.973 56.400 -0.315 0.000 0.814 262 E CB -1.741 27.800 29.700 -0.265 0.000 1.400 262 E HN 0.625 nan 8.360 nan 0.000 0.423 263 S N -0.667 114.766 115.700 -0.445 0.000 2.453 263 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 263 S C 0.782 175.252 174.600 -0.217 0.000 1.005 263 S CA 0.515 58.339 58.200 -0.627 0.000 0.949 263 S CB 0.252 62.732 63.200 -1.200 0.000 0.774 263 S HN 0.173 nan 8.310 nan 0.000 0.510 264 E N 2.678 122.781 120.200 -0.162 0.000 2.259 264 E HA 0.259 4.609 4.350 -0.000 0.000 0.281 264 E C -1.793 174.793 176.600 -0.022 0.000 1.027 264 E CA -2.905 53.477 56.400 -0.030 0.000 0.838 264 E CB 0.893 30.562 29.700 -0.052 0.000 1.066 264 E HN 0.191 nan 8.360 nan 0.000 0.401 265 P HA -0.153 nan 4.420 nan 0.000 0.219 265 P C 0.531 177.846 177.300 0.024 0.000 1.146 265 P CA 1.166 64.305 63.100 0.064 0.000 0.808 265 P CB 0.562 32.340 31.700 0.130 0.000 0.779 266 E N -0.425 119.792 120.200 0.028 0.000 2.107 266 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 266 E C 2.136 178.710 176.600 -0.043 0.000 0.982 266 E CA 0.747 57.162 56.400 0.025 0.000 0.809 266 E CB -0.890 28.846 29.700 0.060 0.000 0.756 266 E HN 0.042 nan 8.360 nan 0.000 0.459 267 V N 0.697 120.504 119.914 -0.177 0.000 2.346 267 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 267 V C 2.162 178.060 176.094 -0.326 0.000 1.037 267 V CA 1.456 63.492 62.300 -0.439 0.000 1.029 267 V CB -0.279 31.075 31.823 -0.781 0.000 0.663 267 V HN 0.109 nan 8.190 nan 0.000 0.454 268 K N 0.909 121.182 120.400 -0.213 0.000 2.059 268 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 268 K C 2.080 178.652 176.600 -0.048 0.000 1.050 268 K CA 1.908 58.120 56.287 -0.124 0.000 0.927 268 K CB -0.739 31.726 32.500 -0.058 0.000 0.714 268 K HN 0.424 nan 8.250 nan 0.000 0.447 269 A N -0.106 122.706 122.820 -0.013 0.000 1.859 269 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 269 A C 2.367 180.008 177.584 0.096 0.000 1.198 269 A CA 2.210 54.270 52.037 0.038 0.000 0.629 269 A CB -1.053 17.963 19.000 0.026 0.000 0.830 269 A HN 0.138 nan 8.150 nan 0.000 0.446 270 V N -0.307 119.671 119.914 0.106 0.000 2.295 270 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 270 V C 3.071 179.249 176.094 0.139 0.000 1.049 270 V CA 2.069 64.476 62.300 0.178 0.000 1.024 270 V CB -1.204 30.804 31.823 0.308 0.000 0.648 270 V HN 0.652 nan 8.190 nan 0.000 0.447 271 A N -0.609 122.251 122.820 0.066 0.000 1.898 271 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 271 A C 2.477 180.163 177.584 0.171 0.000 1.181 271 A CA 2.166 54.232 52.037 0.049 0.000 0.620 271 A CB -0.662 18.119 19.000 -0.365 0.000 0.819 271 A HN 0.509 nan 8.150 nan 0.000 0.442 272 S N -1.060 114.700 115.700 0.100 0.000 2.368 272 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 272 S C 1.655 176.324 174.600 0.114 0.000 1.030 272 S CA 1.431 59.692 58.200 0.101 0.000 0.999 272 S CB -0.518 62.728 63.200 0.077 0.000 0.844 272 S HN 0.624 nan 8.310 nan 0.000 0.459 273 F N 2.455 122.410 119.950 0.008 0.000 2.069 273 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 273 F C 1.868 177.627 175.800 -0.069 0.000 1.113 273 F CA 1.319 59.306 58.000 -0.020 0.000 1.214 273 F CB -0.509 38.490 39.000 -0.002 0.000 0.978 273 F HN 0.077 nan 8.300 nan 0.000 0.474 274 L N -0.016 121.210 121.223 0.006 0.000 2.081 274 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 274 L C 2.708 179.498 176.870 -0.134 0.000 1.080 274 L CA 1.526 56.289 54.840 -0.129 0.000 0.754 274 L CB -0.656 41.393 42.059 -0.017 0.000 0.893 274 L HN 0.115 nan 8.230 nan 0.000 0.433 275 R N -0.546 119.948 120.500 -0.010 0.000 2.096 275 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 275 R C 2.424 178.666 176.300 -0.097 0.000 1.127 275 R CA 1.192 57.284 56.100 -0.013 0.000 0.968 275 R CB -0.179 30.166 30.300 0.075 0.000 0.861 275 R HN 0.279 nan 8.270 nan 0.000 0.440 276 R N 0.170 120.573 120.500 -0.161 0.000 2.153 276 R HA 0.018 4.358 4.340 -0.000 0.000 0.218 276 R C 0.588 176.745 176.300 -0.237 0.000 1.072 276 R CA 0.907 56.899 56.100 -0.180 0.000 0.990 276 R CB 0.249 30.431 30.300 -0.196 0.000 0.889 276 R HN 0.204 nan 8.270 nan 0.000 0.452 277 N N 0.426 118.915 118.700 -0.351 0.000 2.275 277 N HA -0.007 4.733 4.740 -0.000 0.000 0.236 277 N C 0.683 176.097 175.510 -0.160 0.000 1.154 277 N CA 0.027 52.900 53.050 -0.296 0.000 0.866 277 N CB 0.795 38.965 38.487 -0.529 0.000 1.093 277 N HN 0.127 nan 8.380 nan 0.000 0.515 278 I N 1.510 121.996 120.570 -0.140 0.000 2.567 278 I HA -0.144 4.026 4.170 -0.000 0.000 0.257 278 I C 1.466 177.539 176.117 -0.073 0.000 1.184 278 I CA 1.306 62.539 61.300 -0.112 0.000 1.451 278 I CB -0.044 37.880 38.000 -0.127 0.000 1.089 278 I HN 0.143 nan 8.210 nan 0.000 0.441 279 N N -0.461 118.205 118.700 -0.057 0.000 2.422 279 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 279 N C 1.321 176.826 175.510 -0.008 0.000 1.080 279 N CA 0.486 53.514 53.050 -0.036 0.000 0.893 279 N CB 0.223 38.690 38.487 -0.033 0.000 0.973 279 N HN 0.455 nan 8.380 nan 0.000 0.456 280 Q N 0.356 120.162 119.800 0.010 0.000 2.396 280 Q HA 0.215 4.555 4.340 -0.000 0.000 0.220 280 Q C 0.016 176.068 176.000 0.087 0.000 0.900 280 Q CA 0.059 55.893 55.803 0.052 0.000 0.925 280 Q CB 0.499 29.287 28.738 0.084 0.000 1.065 280 Q HN 0.133 nan 8.270 nan 0.000 0.535 281 I N 1.751 122.376 120.570 0.091 0.000 2.587 281 I HA -0.081 4.089 4.170 -0.000 0.000 0.284 281 I C 0.749 176.933 176.117 0.112 0.000 1.134 281 I CA 0.645 62.034 61.300 0.148 0.000 1.410 281 I CB 0.734 38.818 38.000 0.140 0.000 1.392 281 I HN -0.032 nan 8.210 nan 0.000 0.545 282 K N 5.362 125.848 120.400 0.144 0.000 2.373 282 K HA 0.539 4.859 4.320 -0.000 0.000 0.200 282 K C -0.196 176.568 176.600 0.273 0.000 1.054 282 K CA 0.081 56.468 56.287 0.166 0.000 1.065 282 K CB 0.813 33.402 32.500 0.148 0.000 0.886 282 K HN 0.593 nan 8.250 nan 0.000 0.546 283 A N 0.511 123.501 122.820 0.285 0.000 2.594 283 A HA 0.626 4.945 4.320 -0.000 0.000 0.295 283 A C -2.114 175.731 177.584 0.434 0.000 1.071 283 A CA -0.682 51.581 52.037 0.376 0.000 0.685 283 A CB 1.221 20.436 19.000 0.359 0.000 1.285 283 A HN 0.153 nan 8.150 nan 0.000 0.405 284 Y N 1.367 121.870 120.300 0.340 0.000 2.373 284 Y HA 0.761 5.310 4.550 -0.000 0.000 0.336 284 Y C -1.425 174.725 175.900 0.415 0.000 0.979 284 Y CA -0.787 57.554 58.100 0.402 0.000 1.080 284 Y CB 1.392 39.999 38.460 0.244 0.000 1.190 284 Y HN 0.608 nan 8.280 nan 0.000 0.446 285 I N 5.443 126.005 120.570 -0.013 0.000 2.478 285 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 285 I C -0.882 175.154 176.117 -0.135 0.000 1.042 285 I CA -0.752 60.590 61.300 0.071 0.000 1.067 285 I CB 2.098 40.150 38.000 0.087 0.000 1.233 285 I HN 0.571 nan 8.210 nan 0.000 0.431 286 S N 7.478 123.202 115.700 0.040 0.000 2.519 286 S HA 0.665 5.135 4.470 -0.000 0.000 0.309 286 S C -0.480 174.237 174.600 0.195 0.000 1.100 286 S CA -0.750 57.504 58.200 0.091 0.000 1.059 286 S CB 0.874 64.279 63.200 0.342 0.000 1.008 286 S HN 0.414 nan 8.310 nan 0.000 0.478 287 M N 5.129 124.728 119.600 -0.001 0.000 2.318 287 M HA 0.540 5.020 4.480 -0.000 0.000 0.347 287 M C -0.077 176.104 176.300 -0.198 0.000 1.175 287 M CA -0.225 55.075 55.300 0.001 0.000 1.075 287 M CB 0.979 33.567 32.600 -0.019 0.000 1.614 287 M HN 0.733 nan 8.290 nan 0.000 0.456 288 H N -0.236 118.920 119.070 0.143 0.000 2.928 288 H HA 0.648 5.204 4.556 -0.000 0.000 0.285 288 H C -0.881 174.574 175.328 0.211 0.000 1.438 288 H CA -0.589 55.582 56.048 0.206 0.000 1.176 288 H CB 2.013 31.915 29.762 0.234 0.000 1.864 288 H HN 0.742 nan 8.280 nan 0.000 0.567 289 S N -0.309 115.641 115.700 0.417 0.000 2.625 289 S HA 0.565 5.035 4.470 -0.000 0.000 0.271 289 S C -1.401 173.423 174.600 0.372 0.000 1.161 289 S CA -0.886 57.525 58.200 0.353 0.000 0.820 289 S CB 1.944 65.365 63.200 0.369 0.000 1.137 289 S HN 0.638 nan 8.310 nan 0.000 0.470 290 Y N -1.177 119.181 120.300 0.097 0.000 2.772 290 Y HA 0.909 5.459 4.550 -0.000 0.000 0.324 290 Y C 0.884 176.742 175.900 -0.070 0.000 1.169 290 Y CA -0.596 57.481 58.100 -0.039 0.000 1.198 290 Y CB 0.590 38.938 38.460 -0.187 0.000 1.402 290 Y HN 0.921 nan 8.280 nan 0.000 0.577 291 S N -1.928 113.790 115.700 0.030 0.000 1.801 291 S HA -0.205 4.265 4.470 -0.000 0.000 0.248 291 S C -0.348 173.897 174.600 -0.592 0.000 1.284 291 S CA 0.147 58.208 58.200 -0.231 0.000 1.132 291 S CB -1.495 61.543 63.200 -0.270 0.000 1.420 291 S HN 0.805 nan 8.310 nan 0.000 0.604 292 Q N 1.078 120.550 119.800 -0.547 0.000 2.453 292 Q HA -0.212 4.128 4.340 -0.000 0.000 0.350 292 Q C -0.609 174.955 176.000 -0.726 0.000 1.447 292 Q CA 1.044 56.232 55.803 -1.025 0.000 0.968 292 Q CB -1.347 26.681 28.738 -1.183 0.000 1.175 292 Q HN 0.699 nan 8.270 nan 0.000 0.354 293 H N 0.599 119.621 119.070 -0.079 0.000 2.747 293 H HA 0.675 5.231 4.556 -0.000 0.000 0.371 293 H C 0.191 175.653 175.328 0.224 0.000 1.161 293 H CA -0.903 55.201 56.048 0.094 0.000 1.167 293 H CB 1.674 31.450 29.762 0.023 0.000 1.732 293 H HN 0.442 nan 8.280 nan 0.000 0.544 294 I N -0.003 120.804 120.570 0.395 0.000 2.447 294 I HA 0.607 4.777 4.170 -0.000 0.000 0.287 294 I C -1.226 175.070 176.117 0.297 0.000 1.023 294 I CA -0.724 60.762 61.300 0.309 0.000 1.083 294 I CB 1.700 39.834 38.000 0.223 0.000 1.245 294 I HN 0.192 nan 8.210 nan 0.000 0.434 295 V N 7.487 127.548 119.914 0.246 0.000 3.074 295 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 295 V C -1.005 175.180 176.094 0.150 0.000 1.117 295 V CA -0.494 61.820 62.300 0.024 0.000 1.014 295 V CB 2.613 34.375 31.823 -0.102 0.000 1.057 295 V HN 0.823 nan 8.190 nan 0.000 0.438 296 F N 1.538 121.476 119.950 -0.020 0.000 2.686 296 F HA 0.819 5.346 4.527 -0.000 0.000 0.311 296 F C -2.904 172.708 175.800 -0.313 0.000 1.128 296 F CA -2.588 55.286 58.000 -0.209 0.000 0.946 296 F CB 0.773 39.573 39.000 -0.332 0.000 1.336 296 F HN 0.281 nan 8.300 nan 0.000 0.457 297 P HA -0.122 nan 4.420 nan 0.000 0.275 297 P C -1.076 175.940 177.300 -0.473 0.000 1.255 297 P CA 0.400 63.201 63.100 -0.499 0.000 0.843 297 P CB 0.017 31.079 31.700 -1.063 0.000 0.948 298 Y N -1.073 118.991 120.300 -0.395 0.000 2.668 298 Y HA -0.177 4.373 4.550 -0.000 0.000 0.406 298 Y C 1.593 177.272 175.900 -0.369 0.000 1.031 298 Y CA 0.784 58.585 58.100 -0.498 0.000 1.524 298 Y CB -1.761 36.304 38.460 -0.659 0.000 1.020 298 Y HN 0.188 nan 8.280 nan 0.000 0.492 299 S N 1.167 116.772 115.700 -0.158 0.000 2.511 299 S HA -0.024 4.446 4.470 -0.000 0.000 0.214 299 S C 1.055 175.634 174.600 -0.035 0.000 0.997 299 S CA 0.212 58.336 58.200 -0.126 0.000 0.908 299 S CB -0.074 63.052 63.200 -0.124 0.000 0.803 299 S HN 0.780 nan 8.310 nan 0.000 0.504 300 Y N 2.117 122.428 120.300 0.018 0.000 2.490 300 Y HA 0.507 5.057 4.550 -0.000 0.000 0.281 300 Y C 0.577 176.400 175.900 -0.128 0.000 1.174 300 Y CA -0.070 58.003 58.100 -0.046 0.000 1.295 300 Y CB -0.599 37.816 38.460 -0.074 0.000 1.062 300 Y HN 0.120 nan 8.280 nan 0.000 0.522 301 T N -0.411 114.071 114.554 -0.119 0.000 2.840 301 T HA 0.365 4.715 4.350 -0.000 0.000 0.317 301 T C 0.216 174.866 174.700 -0.082 0.000 1.401 301 T CA -0.866 61.188 62.100 -0.076 0.000 1.028 301 T CB 1.448 70.222 68.868 -0.157 0.000 1.317 301 T HN 0.202 nan 8.240 nan 0.000 0.495 302 R N 1.104 121.580 120.500 -0.039 0.000 2.240 302 R HA 0.169 4.509 4.340 -0.000 0.000 0.203 302 R C 0.757 177.027 176.300 -0.049 0.000 1.011 302 R CA 0.103 56.178 56.100 -0.043 0.000 1.007 302 R CB -0.096 30.189 30.300 -0.026 0.000 0.911 302 R HN 0.506 nan 8.270 nan 0.000 0.468 303 S N 1.582 117.256 115.700 -0.043 0.000 2.568 303 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 303 S C 0.428 175.031 174.600 0.004 0.000 1.338 303 S CA -0.001 58.182 58.200 -0.028 0.000 1.045 303 S CB 1.033 64.219 63.200 -0.024 0.000 0.873 303 S HN 0.094 nan 8.310 nan 0.000 0.516 304 K N 1.350 121.726 120.400 -0.039 0.000 2.149 304 K HA 0.228 4.548 4.320 -0.000 0.000 0.245 304 K C 0.606 177.279 176.600 0.122 0.000 1.024 304 K CA -0.289 55.965 56.287 -0.055 0.000 0.899 304 K CB 0.332 32.685 32.500 -0.246 0.000 1.038 304 K HN 0.752 nan 8.250 nan 0.000 0.496 305 S N -0.231 115.521 115.700 0.086 0.000 2.713 305 S HA 0.153 4.623 4.470 -0.000 0.000 0.283 305 S C 0.894 175.555 174.600 0.102 0.000 1.161 305 S CA -0.848 57.375 58.200 0.037 0.000 0.999 305 S CB 1.602 64.511 63.200 -0.486 0.000 1.039 305 S HN 0.722 nan 8.310 nan 0.000 0.548 306 K N -0.024 120.472 120.400 0.160 0.000 2.360 306 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 306 K C -0.135 176.512 176.600 0.078 0.000 1.046 306 K CA 1.436 57.793 56.287 0.117 0.000 0.945 306 K CB -0.192 32.373 32.500 0.109 0.000 0.750 306 K HN 0.660 nan 8.250 nan 0.000 0.464 307 D N -0.576 119.857 120.400 0.055 0.000 2.571 307 D HA -0.019 4.621 4.640 -0.000 0.000 0.239 307 D C 0.541 176.784 176.300 -0.095 0.000 1.267 307 D CA -0.097 53.893 54.000 -0.016 0.000 0.823 307 D CB 0.348 41.129 40.800 -0.032 0.000 1.056 307 D HN 0.311 nan 8.370 nan 0.000 0.494 308 H N 2.113 121.114 119.070 -0.115 0.000 2.321 308 H HA -0.150 4.406 4.556 -0.000 0.000 0.295 308 H C 1.770 177.037 175.328 -0.102 0.000 1.102 308 H CA 2.064 58.060 56.048 -0.086 0.000 1.266 308 H CB 0.449 30.228 29.762 0.029 0.000 1.363 308 H HN 0.114 nan 8.280 nan 0.000 0.492 309 E N -0.212 119.987 120.200 -0.001 0.000 2.051 309 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 309 E C 2.301 178.834 176.600 -0.111 0.000 0.991 309 E CA 1.183 57.563 56.400 -0.033 0.000 0.799 309 E CB -0.061 29.669 29.700 0.050 0.000 0.748 309 E HN 0.640 nan 8.360 nan 0.000 0.449 310 E N 0.740 120.880 120.200 -0.099 0.000 2.047 310 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 310 E C 2.279 178.767 176.600 -0.187 0.000 0.987 310 E CA 0.521 56.880 56.400 -0.069 0.000 0.799 310 E CB 0.029 29.754 29.700 0.042 0.000 0.752 310 E HN 0.187 nan 8.360 nan 0.000 0.449 311 L N 0.611 121.619 121.223 -0.358 0.000 2.043 311 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 311 L C 2.681 179.082 176.870 -0.782 0.000 1.075 311 L CA 1.089 55.531 54.840 -0.662 0.000 0.752 311 L CB -0.460 40.826 42.059 -1.289 0.000 0.891 311 L HN 0.143 nan 8.230 nan 0.000 0.432 312 S N -0.084 115.208 115.700 -0.681 0.000 2.353 312 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 312 S C 1.845 176.374 174.600 -0.120 0.000 1.035 312 S CA 1.200 59.312 58.200 -0.147 0.000 1.025 312 S CB -0.369 62.810 63.200 -0.035 0.000 0.902 312 S HN 0.220 nan 8.310 nan 0.000 0.440 313 L N 2.058 123.195 121.223 -0.142 0.000 2.021 313 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 313 L C 2.264 179.007 176.870 -0.212 0.000 1.074 313 L CA 1.734 56.493 54.840 -0.134 0.000 0.760 313 L CB -1.203 40.803 42.059 -0.087 0.000 0.889 313 L HN 0.172 nan 8.230 nan 0.000 0.433 314 V N -0.279 119.478 119.914 -0.263 0.000 2.295 314 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 314 V C 2.768 178.688 176.094 -0.290 0.000 1.049 314 V CA 1.620 63.725 62.300 -0.325 0.000 1.024 314 V CB -1.302 30.321 31.823 -0.335 0.000 0.648 314 V HN 0.582 nan 8.190 nan 0.000 0.447 315 A N 0.416 123.115 122.820 -0.200 0.000 1.930 315 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 315 A C 2.580 179.872 177.584 -0.487 0.000 1.175 315 A CA 2.155 54.078 52.037 -0.191 0.000 0.627 315 A CB -0.766 18.382 19.000 0.246 0.000 0.815 315 A HN 0.649 nan 8.150 nan 0.000 0.443 316 S N -0.371 114.859 115.700 -0.783 0.000 2.382 316 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 316 S C 1.823 176.182 174.600 -0.402 0.000 1.027 316 S CA 1.678 59.324 58.200 -0.924 0.000 0.991 316 S CB -0.351 62.459 63.200 -0.650 0.000 0.823 316 S HN 0.637 nan 8.310 nan 0.000 0.469 317 E N 0.887 120.911 120.200 -0.293 0.000 2.152 317 E HA 0.075 4.425 4.350 -0.000 0.000 0.192 317 E C 2.201 178.693 176.600 -0.180 0.000 0.983 317 E CA 0.833 57.120 56.400 -0.189 0.000 0.818 317 E CB -0.439 29.172 29.700 -0.149 0.000 0.758 317 E HN 0.713 nan 8.360 nan 0.000 0.467 318 A N 0.150 122.834 122.820 -0.227 0.000 1.902 318 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 318 A C 2.368 179.832 177.584 -0.200 0.000 1.181 318 A CA 1.211 53.118 52.037 -0.217 0.000 0.623 318 A CB -0.607 18.229 19.000 -0.274 0.000 0.818 318 A HN 0.212 nan 8.150 nan 0.000 0.443 319 V N -0.315 119.483 119.914 -0.193 0.000 2.307 319 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 319 V C 2.638 178.675 176.094 -0.094 0.000 1.045 319 V CA 2.249 64.475 62.300 -0.124 0.000 1.024 319 V CB -0.693 31.119 31.823 -0.019 0.000 0.651 319 V HN 0.555 nan 8.190 nan 0.000 0.449 320 R N -0.315 120.130 120.500 -0.092 0.000 2.103 320 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 320 R C 2.357 178.619 176.300 -0.063 0.000 1.142 320 R CA 1.693 57.757 56.100 -0.059 0.000 0.960 320 R CB -0.578 29.686 30.300 -0.060 0.000 0.858 320 R HN 0.561 nan 8.270 nan 0.000 0.439 321 A N 0.730 123.498 122.820 -0.086 0.000 1.940 321 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 321 A C 2.095 179.633 177.584 -0.076 0.000 1.176 321 A CA 1.314 53.307 52.037 -0.073 0.000 0.631 321 A CB -0.464 18.489 19.000 -0.079 0.000 0.814 321 A HN 0.250 nan 8.150 nan 0.000 0.446 322 I N -0.512 119.983 120.570 -0.124 0.000 2.202 322 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 322 I C 2.260 178.331 176.117 -0.076 0.000 1.091 322 I CA 1.519 62.726 61.300 -0.156 0.000 1.368 322 I CB -0.453 37.339 38.000 -0.346 0.000 1.058 322 I HN 0.408 nan 8.210 nan 0.000 0.410 323 E N 0.514 120.688 120.200 -0.043 0.000 2.409 323 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 323 E C 1.829 178.430 176.600 0.002 0.000 1.024 323 E CA 0.670 57.073 56.400 0.004 0.000 0.861 323 E CB 0.083 29.798 29.700 0.025 0.000 0.788 323 E HN 0.409 nan 8.360 nan 0.000 0.521 324 K N 0.003 120.395 120.400 -0.012 0.000 2.308 324 K HA 0.081 4.401 4.320 -0.000 0.000 0.197 324 K C 1.731 178.328 176.600 -0.005 0.000 1.049 324 K CA 0.038 56.320 56.287 -0.008 0.000 0.991 324 K CB 0.432 32.923 32.500 -0.016 0.000 0.836 324 K HN 0.005 nan 8.250 nan 0.000 0.500 325 I N 0.897 121.461 120.570 -0.010 0.000 2.617 325 I HA -0.061 4.109 4.170 -0.000 0.000 0.256 325 I C 0.303 176.423 176.117 0.005 0.000 1.167 325 I CA 0.977 62.275 61.300 -0.002 0.000 1.469 325 I CB -0.105 37.891 38.000 -0.006 0.000 1.098 325 I HN -0.037 nan 8.210 nan 0.000 0.436 326 S N 0.537 116.243 115.700 0.009 0.000 2.721 326 S HA 0.504 4.974 4.470 -0.000 0.000 0.264 326 S C -0.132 174.492 174.600 0.040 0.000 1.161 326 S CA -0.927 57.290 58.200 0.028 0.000 1.113 326 S CB 2.169 65.392 63.200 0.038 0.000 1.079 326 S HN 0.298 nan 8.310 nan 0.000 0.479 327 K N 2.225 122.646 120.400 0.036 0.000 1.882 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.199 327 K C -0.268 176.358 176.600 0.043 0.000 1.562 327 K CA 1.219 57.531 56.287 0.040 0.000 0.515 327 K CB -1.298 31.233 32.500 0.050 0.000 0.682 327 K HN 0.538 nan 8.250 nan 0.000 0.843 328 N N 0.665 119.394 118.700 0.048 0.000 2.268 328 N HA 0.188 4.928 4.740 -0.000 0.000 0.204 328 N C -0.272 175.275 175.510 0.061 0.000 1.124 328 N CA 0.109 53.188 53.050 0.048 0.000 0.838 328 N CB -0.013 38.498 38.487 0.039 0.000 0.994 328 N HN 0.237 nan 8.380 nan 0.000 0.489 329 I N 1.585 122.201 120.570 0.078 0.000 2.845 329 I HA -0.105 4.065 4.170 -0.000 0.000 0.296 329 I C 0.681 176.878 176.117 0.133 0.000 1.216 329 I CA 0.744 62.110 61.300 0.110 0.000 1.438 329 I CB 0.015 38.112 38.000 0.163 0.000 1.342 329 I HN -0.048 nan 8.210 nan 0.000 0.577 330 R N 5.752 126.331 120.500 0.133 0.000 2.502 330 R HA 0.408 4.748 4.340 -0.000 0.000 0.300 330 R C -1.254 175.156 176.300 0.185 0.000 0.984 330 R CA -0.623 55.571 56.100 0.158 0.000 0.882 330 R CB 1.800 32.155 30.300 0.091 0.000 1.180 330 R HN 0.431 nan 8.270 nan 0.000 0.444 331 Y N 0.660 120.985 120.300 0.041 0.000 2.403 331 Y HA 0.403 4.953 4.550 -0.000 0.000 0.323 331 Y C 1.015 177.001 175.900 0.144 0.000 1.226 331 Y CA -0.394 57.742 58.100 0.060 0.000 1.235 331 Y CB 2.169 40.665 38.460 0.060 0.000 1.248 331 Y HN 0.509 nan 8.280 nan 0.000 0.489 332 T N -0.930 113.825 114.554 0.334 0.000 2.907 332 T HA 0.691 5.041 4.350 -0.000 0.000 0.290 332 T C -1.371 173.572 174.700 0.405 0.000 1.066 332 T CA -0.856 61.446 62.100 0.337 0.000 1.012 332 T CB 1.921 70.922 68.868 0.222 0.000 1.184 332 T HN 0.603 nan 8.240 nan 0.000 0.522 333 Y N -2.096 118.282 120.300 0.131 0.000 2.670 333 Y HA 0.883 5.433 4.550 0.000 0.000 0.334 333 Y C -0.188 175.689 175.900 -0.038 0.000 1.185 333 Y CA -0.731 57.416 58.100 0.078 0.000 1.053 333 Y CB 1.099 39.652 38.460 0.155 0.000 1.298 333 Y HN 1.328 nan 8.280 nan 0.000 0.459 334 G N 0.256 108.972 108.800 -0.139 0.000 2.362 334 G HA2 0.165 4.125 3.960 -0.000 0.000 0.288 334 G HA3 0.165 4.125 3.960 -0.000 0.000 0.288 334 G C -1.964 172.297 174.900 -1.065 0.000 1.305 334 G CA -0.838 44.005 45.100 -0.428 0.000 0.910 334 G HN 0.943 nan 8.290 nan 0.000 0.518 335 Q N 0.169 119.468 119.800 -0.835 0.000 2.330 335 Q HA 0.406 4.746 4.340 -0.000 0.000 0.279 335 Q C 1.698 177.408 176.000 -0.483 0.000 1.024 335 Q CA 0.783 56.154 55.803 -0.721 0.000 0.900 335 Q CB 0.738 29.375 28.738 -0.167 0.000 1.221 335 Q HN 1.125 nan 8.270 nan 0.000 0.396 336 G N 2.033 110.572 108.800 -0.435 0.000 2.475 336 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 336 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 336 G C 1.256 175.970 174.900 -0.310 0.000 1.125 336 G CA 1.020 45.915 45.100 -0.342 0.000 0.755 336 G HN 0.738 nan 8.290 nan 0.000 0.565 337 S N -0.447 115.111 115.700 -0.237 0.000 2.446 337 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 337 S C 1.891 176.406 174.600 -0.142 0.000 1.016 337 S CA 1.123 59.219 58.200 -0.174 0.000 0.943 337 S CB 0.206 63.340 63.200 -0.110 0.000 0.786 337 S HN 0.551 nan 8.310 nan 0.000 0.508 338 E N 1.179 121.283 120.200 -0.160 0.000 2.102 338 E HA -0.029 4.320 4.350 -0.000 0.000 0.190 338 E C 1.635 178.137 176.600 -0.162 0.000 0.971 338 E CA 1.095 57.416 56.400 -0.132 0.000 0.821 338 E CB -0.063 29.566 29.700 -0.118 0.000 0.777 338 E HN 0.482 nan 8.360 nan 0.000 0.460 339 T N 1.142 115.552 114.554 -0.242 0.000 2.777 339 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 339 T C 1.615 176.129 174.700 -0.311 0.000 1.040 339 T CA 1.036 62.948 62.100 -0.312 0.000 1.141 339 T CB 0.071 68.687 68.868 -0.421 0.000 0.868 339 T HN 0.076 nan 8.240 nan 0.000 0.444 340 L N -1.506 119.543 121.223 -0.289 0.000 2.985 340 L HA 0.425 4.765 4.340 -0.000 0.000 0.177 340 L C 0.010 176.878 176.870 -0.003 0.000 1.387 340 L CA -0.487 54.234 54.840 -0.199 0.000 0.982 340 L CB 0.033 41.818 42.059 -0.458 0.000 1.376 340 L HN 0.310 nan 8.230 nan 0.000 0.603 341 Y N -2.491 117.753 120.300 -0.093 0.000 2.774 341 Y HA 0.484 5.034 4.550 -0.000 0.000 0.346 341 Y C -1.188 174.686 175.900 -0.043 0.000 1.222 341 Y CA -1.423 56.639 58.100 -0.063 0.000 1.088 341 Y CB 0.511 38.940 38.460 -0.051 0.000 1.354 341 Y HN -0.049 nan 8.280 nan 0.000 0.455 342 L N 2.624 123.928 121.223 0.135 0.000 2.530 342 L HA 0.620 4.960 4.340 -0.000 0.000 0.273 342 L C -0.190 176.770 176.870 0.150 0.000 1.141 342 L CA 0.471 55.361 54.840 0.083 0.000 0.905 342 L CB -0.052 42.065 42.059 0.097 0.000 1.202 342 L HN 0.817 nan 8.230 nan 0.000 0.473 343 A N 7.560 130.416 122.820 0.059 0.000 2.411 343 A HA 0.737 5.057 4.320 -0.000 0.000 0.285 343 A C -2.712 174.949 177.584 0.128 0.000 1.129 343 A CA -1.179 50.929 52.037 0.119 0.000 0.736 343 A CB 0.888 19.964 19.000 0.127 0.000 1.186 343 A HN 0.437 nan 8.150 nan 0.000 0.445 344 P HA 0.506 nan 4.420 nan 0.000 0.278 344 P C 0.719 178.135 177.300 0.193 0.000 1.266 344 P CA 0.918 64.141 63.100 0.205 0.000 0.807 344 P CB 1.202 33.003 31.700 0.168 0.000 1.094 345 G N -0.835 108.136 108.800 0.285 0.000 2.149 345 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.235 345 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.235 345 G C 0.391 175.521 174.900 0.383 0.000 1.018 345 G CA -0.214 45.115 45.100 0.381 0.000 0.728 345 G HN 0.870 nan 8.290 nan 0.000 0.508 346 G N -0.990 107.989 108.800 0.298 0.000 2.367 346 G HA2 0.636 4.596 3.960 -0.000 0.000 0.314 346 G HA3 0.636 4.596 3.960 -0.000 0.000 0.314 346 G C 1.175 176.067 174.900 -0.012 0.000 1.130 346 G CA 0.193 45.412 45.100 0.198 0.000 0.864 346 G HN 1.060 nan 8.290 nan 0.000 0.486 347 G N 1.704 110.160 108.800 -0.573 0.000 2.440 347 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 347 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 347 G C 1.476 176.046 174.900 -0.549 0.000 1.154 347 G CA 1.614 46.070 45.100 -1.073 0.000 0.767 347 G HN 0.738 nan 8.290 nan 0.000 0.552 348 D N 1.524 121.747 120.400 -0.296 0.000 2.154 348 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 348 D C 1.511 177.754 176.300 -0.096 0.000 1.003 348 D CA 1.789 55.703 54.000 -0.145 0.000 0.849 348 D CB -0.810 40.062 40.800 0.120 0.000 0.942 348 D HN 0.255 nan 8.370 nan 0.000 0.446 349 D N -0.396 120.028 120.400 0.040 0.000 2.117 349 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 349 D C 1.855 178.332 176.300 0.294 0.000 0.982 349 D CA 0.786 54.904 54.000 0.196 0.000 0.828 349 D CB -0.828 40.217 40.800 0.408 0.000 0.967 349 D HN 0.504 nan 8.370 nan 0.000 0.464 350 W N 1.749 123.082 121.300 0.055 0.000 2.355 350 W HA -0.087 4.573 4.660 -0.000 0.000 0.309 350 W C 2.014 178.509 176.519 -0.040 0.000 1.206 350 W CA 0.931 58.303 57.345 0.045 0.000 1.284 350 W CB -0.519 28.959 29.460 0.031 0.000 1.145 350 W HN -0.115 nan 8.180 nan 0.000 0.502 351 I N -0.075 120.220 120.570 -0.459 0.000 2.439 351 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 351 I C 2.390 178.219 176.117 -0.479 0.000 1.139 351 I CA 1.326 62.108 61.300 -0.863 0.000 1.438 351 I CB -0.498 37.063 38.000 -0.732 0.000 1.085 351 I HN 0.136 nan 8.210 nan 0.000 0.427 352 Y N 1.760 121.852 120.300 -0.346 0.000 2.128 352 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 352 Y C 2.069 177.846 175.900 -0.206 0.000 1.154 352 Y CA 2.009 59.951 58.100 -0.263 0.000 1.149 352 Y CB -0.338 37.962 38.460 -0.267 0.000 0.976 352 Y HN 0.206 nan 8.280 nan 0.000 0.505 353 D N 0.092 120.428 120.400 -0.106 0.000 2.310 353 D HA -0.110 4.530 4.640 -0.000 0.000 0.212 353 D C 1.843 177.991 176.300 -0.254 0.000 0.965 353 D CA 0.874 54.817 54.000 -0.095 0.000 0.879 353 D CB -0.129 40.761 40.800 0.150 0.000 0.921 353 D HN 0.420 nan 8.370 nan 0.000 0.510 354 L N -0.991 119.989 121.223 -0.405 0.000 2.558 354 L HA 0.139 4.479 4.340 -0.000 0.000 0.225 354 L C 1.485 178.149 176.870 -0.343 0.000 1.128 354 L CA 0.512 55.115 54.840 -0.395 0.000 0.868 354 L CB 0.328 42.045 42.059 -0.570 0.000 1.006 354 L HN 0.172 nan 8.230 nan 0.000 0.454 355 G N -0.467 108.093 108.800 -0.399 0.000 2.229 355 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.189 355 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.189 355 G C 0.102 174.798 174.900 -0.340 0.000 1.000 355 G CA -0.630 44.253 45.100 -0.363 0.000 0.663 355 G HN 0.032 nan 8.290 nan 0.000 0.493 356 I N 2.047 122.427 120.570 -0.317 0.000 2.421 356 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 356 I C 1.386 177.372 176.117 -0.219 0.000 1.089 356 I CA -0.066 61.119 61.300 -0.191 0.000 1.354 356 I CB 0.929 38.874 38.000 -0.092 0.000 1.413 356 I HN 0.221 nan 8.210 nan 0.000 0.513 357 K N 5.398 125.627 120.400 -0.286 0.000 2.062 357 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 357 K C -0.088 176.349 176.600 -0.271 0.000 1.051 357 K CA 1.235 57.289 56.287 -0.388 0.000 0.941 357 K CB 0.131 32.182 32.500 -0.749 0.000 0.719 357 K HN 0.419 nan 8.250 nan 0.000 0.440 358 Y N 0.792 121.138 120.300 0.077 0.000 2.691 358 Y HA 0.248 4.798 4.550 -0.000 0.000 0.338 358 Y C -0.266 175.673 175.900 0.064 0.000 1.148 358 Y CA -0.598 57.553 58.100 0.085 0.000 1.430 358 Y CB 0.829 39.465 38.460 0.293 0.000 1.303 358 Y HN -0.141 nan 8.280 nan 0.000 0.499 359 S N 3.625 119.215 115.700 -0.183 0.000 2.473 359 S HA 0.843 5.313 4.470 -0.000 0.000 0.307 359 S C -1.268 173.116 174.600 -0.359 0.000 1.094 359 S CA -0.397 57.795 58.200 -0.014 0.000 1.070 359 S CB 0.347 63.558 63.200 0.018 0.000 1.019 359 S HN 0.328 nan 8.310 nan 0.000 0.480 360 F N 1.341 121.486 119.950 0.326 0.000 2.615 360 F HA 0.372 4.899 4.527 -0.000 0.000 0.312 360 F C -0.056 175.894 175.800 0.249 0.000 1.119 360 F CA -0.619 57.532 58.000 0.253 0.000 0.979 360 F CB 2.401 41.520 39.000 0.198 0.000 1.266 360 F HN 0.362 nan 8.300 nan 0.000 0.444 361 T N 4.202 118.988 114.554 0.387 0.000 2.770 361 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 361 T C -0.303 174.562 174.700 0.275 0.000 0.988 361 T CA -0.339 61.944 62.100 0.306 0.000 0.957 361 T CB 0.676 69.651 68.868 0.179 0.000 0.930 361 T HN 0.302 nan 8.240 nan 0.000 0.443 362 I N 3.153 123.874 120.570 0.251 0.000 2.312 362 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 362 I C 0.564 176.820 176.117 0.232 0.000 1.008 362 I CA -0.526 60.896 61.300 0.202 0.000 1.226 362 I CB 1.016 39.063 38.000 0.079 0.000 1.371 362 I HN 0.492 nan 8.210 nan 0.000 0.468 363 E N 6.973 127.313 120.200 0.233 0.000 2.130 363 E HA 0.340 4.690 4.350 -0.000 0.000 0.284 363 E C -0.144 176.555 176.600 0.166 0.000 1.018 363 E CA -0.357 56.168 56.400 0.207 0.000 0.817 363 E CB 1.619 31.413 29.700 0.158 0.000 1.078 363 E HN 0.519 nan 8.360 nan 0.000 0.396 364 L N 2.194 123.521 121.223 0.174 0.000 2.767 364 L HA 0.313 4.653 4.340 -0.000 0.000 0.157 364 L C 1.100 178.011 176.870 0.068 0.000 1.227 364 L CA -0.309 54.628 54.840 0.162 0.000 1.557 364 L CB 0.087 42.226 42.059 0.134 0.000 2.290 364 L HN 0.374 nan 8.230 nan 0.000 0.495 365 R N -0.512 120.041 120.500 0.088 0.000 2.607 365 R HA 0.283 4.623 4.340 -0.000 0.000 0.261 365 R C -1.353 174.937 176.300 -0.016 0.000 1.051 365 R CA -0.279 55.825 56.100 0.007 0.000 1.110 365 R CB 1.035 31.370 30.300 0.059 0.000 1.158 365 R HN 0.595 nan 8.270 nan 0.000 0.543 366 D N -0.920 119.421 120.400 -0.098 0.000 10.353 366 D HA -0.139 4.501 4.640 -0.000 0.000 0.299 366 D C -0.377 175.882 176.300 -0.069 0.000 2.968 366 D CA 1.060 54.970 54.000 -0.150 0.000 2.730 366 D CB 0.072 40.733 40.800 -0.232 0.000 1.136 366 D HN 0.634 nan 8.370 nan 0.000 0.868 367 T N 1.848 116.354 114.554 -0.081 0.000 3.235 367 T HA 0.533 4.883 4.350 -0.000 0.000 0.251 367 T C 1.504 176.270 174.700 0.111 0.000 1.060 367 T CA 0.818 62.929 62.100 0.020 0.000 0.949 367 T CB 0.430 69.274 68.868 -0.040 0.000 1.020 367 T HN 1.502 nan 8.240 nan 0.000 0.564 368 G N 1.125 109.870 108.800 -0.091 0.000 2.296 368 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.188 368 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.188 368 G C 1.052 175.699 174.900 -0.423 0.000 1.000 368 G CA 0.639 45.586 45.100 -0.255 0.000 0.672 368 G HN 0.754 nan 8.290 nan 0.000 0.483 369 T N -2.084 112.250 114.554 -0.366 0.000 2.904 369 T HA 0.083 4.433 4.350 -0.000 0.000 0.267 369 T C 1.842 176.164 174.700 -0.631 0.000 1.059 369 T CA 2.173 63.984 62.100 -0.482 0.000 1.137 369 T CB -0.156 68.429 68.868 -0.472 0.000 0.879 369 T HN 0.458 nan 8.240 nan 0.000 0.467 370 Y N 0.387 120.510 120.300 -0.294 0.000 2.452 370 Y HA 0.473 5.023 4.550 0.000 0.000 0.262 370 Y C 2.062 177.804 175.900 -0.263 0.000 1.089 370 Y CA -0.360 57.609 58.100 -0.218 0.000 1.262 370 Y CB 0.250 38.593 38.460 -0.195 0.000 1.236 370 Y HN 0.477 nan 8.280 nan 0.000 0.512 371 G N 1.232 109.717 108.800 -0.525 0.000 2.622 371 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.307 371 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.307 371 G C 0.714 175.070 174.900 -0.908 0.000 1.226 371 G CA 0.812 45.106 45.100 -1.342 0.000 0.997 371 G HN 0.172 nan 8.290 nan 0.000 0.551 372 F N 0.821 120.264 119.950 -0.844 0.000 2.502 372 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 372 F C 2.395 177.906 175.800 -0.481 0.000 1.111 372 F CA 0.879 58.519 58.000 -0.600 0.000 1.445 372 F CB -0.219 38.296 39.000 -0.808 0.000 1.081 372 F HN 0.153 nan 8.300 nan 0.000 0.558 373 L N 0.501 121.622 121.223 -0.169 0.000 2.728 373 L HA 0.145 4.485 4.340 -0.000 0.000 0.235 373 L C 0.171 176.970 176.870 -0.119 0.000 1.197 373 L CA -0.613 54.131 54.840 -0.160 0.000 0.992 373 L CB -0.348 41.714 42.059 0.004 0.000 1.263 373 L HN -0.032 nan 8.230 nan 0.000 0.484 374 L N 2.778 123.949 121.223 -0.086 0.000 2.848 374 L HA -0.060 4.280 4.340 -0.000 0.000 0.286 374 L C -1.901 174.998 176.870 0.048 0.000 1.150 374 L CA -0.500 54.326 54.840 -0.024 0.000 0.958 374 L CB -0.302 41.814 42.059 0.096 0.000 1.322 374 L HN -0.070 nan 8.230 nan 0.000 0.469 375 P HA -0.019 nan 4.420 nan 0.000 0.264 375 P C 0.508 177.854 177.300 0.077 0.000 1.183 375 P CA 0.060 63.143 63.100 -0.028 0.000 0.763 375 P CB 0.497 32.098 31.700 -0.164 0.000 0.807 376 E N 2.762 122.962 120.200 0.001 0.000 2.113 376 E HA -0.341 4.009 4.350 -0.000 0.000 0.210 376 E C 1.829 178.343 176.600 -0.143 0.000 1.040 376 E CA 1.767 58.081 56.400 -0.143 0.000 0.847 376 E CB -0.299 29.317 29.700 -0.141 0.000 0.755 376 E HN 0.466 nan 8.360 nan 0.000 0.459 377 R N -0.200 120.178 120.500 -0.202 0.000 2.165 377 R HA -0.250 4.090 4.340 -0.000 0.000 0.254 377 R C 2.073 178.168 176.300 -0.341 0.000 1.153 377 R CA 2.127 58.024 56.100 -0.337 0.000 0.971 377 R CB -0.820 29.131 30.300 -0.580 0.000 0.878 377 R HN 0.392 nan 8.270 nan 0.000 0.449 378 Y N 0.636 120.904 120.300 -0.053 0.000 2.519 378 Y HA 0.104 4.654 4.550 -0.000 0.000 0.287 378 Y C 2.253 178.134 175.900 -0.032 0.000 1.128 378 Y CA 0.174 58.257 58.100 -0.027 0.000 1.282 378 Y CB -0.085 38.367 38.460 -0.013 0.000 1.027 378 Y HN -0.031 nan 8.280 nan 0.000 0.551 379 I N 0.476 121.067 120.570 0.035 0.000 2.194 379 I HA -0.393 3.777 4.170 -0.000 0.000 0.246 379 I C 2.533 178.603 176.117 -0.080 0.000 1.093 379 I CA 1.743 63.028 61.300 -0.025 0.000 1.355 379 I CB -0.370 37.558 38.000 -0.120 0.000 1.046 379 I HN 0.220 nan 8.210 nan 0.000 0.413 380 K N 1.108 121.485 120.400 -0.039 0.000 1.984 380 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 380 K C -0.503 176.024 176.600 -0.122 0.000 1.046 380 K CA 1.491 57.760 56.287 -0.031 0.000 0.934 380 K CB -0.832 31.713 32.500 0.075 0.000 0.717 380 K HN 0.195 nan 8.250 nan 0.000 0.438 381 P HA -0.071 nan 4.420 nan 0.000 0.221 381 P C 0.908 178.172 177.300 -0.061 0.000 1.150 381 P CA 1.261 64.340 63.100 -0.036 0.000 0.800 381 P CB 0.041 31.766 31.700 0.041 0.000 0.787 382 T N 0.016 114.546 114.554 -0.039 0.000 2.668 382 T HA -0.111 4.239 4.350 -0.000 0.000 0.262 382 T C 2.008 176.628 174.700 -0.134 0.000 1.045 382 T CA 1.686 63.776 62.100 -0.016 0.000 1.152 382 T CB -1.156 67.746 68.868 0.056 0.000 0.864 382 T HN 0.132 nan 8.240 nan 0.000 0.419 383 C N 1.057 120.191 119.300 -0.277 0.000 2.411 383 C HA 0.011 4.471 4.460 -0.000 0.000 0.279 383 C C 2.833 177.393 174.990 -0.716 0.000 1.288 383 C CA 0.433 59.179 59.018 -0.453 0.000 1.764 383 C CB -1.049 25.978 27.740 -1.188 0.000 1.974 383 C HN 0.491 nan 8.230 nan 0.000 0.498 384 R N 1.245 121.327 120.500 -0.696 0.000 2.092 384 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 384 R C 2.368 178.596 176.300 -0.120 0.000 1.119 384 R CA 1.675 57.502 56.100 -0.456 0.000 0.970 384 R CB -0.192 29.976 30.300 -0.219 0.000 0.864 384 R HN 0.792 nan 8.270 nan 0.000 0.440 385 E N -0.579 119.550 120.200 -0.120 0.000 2.170 385 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 385 E C 1.770 178.293 176.600 -0.128 0.000 0.981 385 E CA 0.842 57.183 56.400 -0.099 0.000 0.830 385 E CB -0.143 29.481 29.700 -0.127 0.000 0.775 385 E HN 0.309 nan 8.360 nan 0.000 0.470 386 A N 1.405 124.132 122.820 -0.155 0.000 1.940 386 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 386 A C 1.986 179.549 177.584 -0.034 0.000 1.176 386 A CA 1.312 53.170 52.037 -0.298 0.000 0.631 386 A CB -0.971 17.552 19.000 -0.794 0.000 0.814 386 A HN 0.436 nan 8.150 nan 0.000 0.446 387 F N 0.722 120.784 119.950 0.186 0.000 2.186 387 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 387 F C 2.480 178.378 175.800 0.164 0.000 1.090 387 F CA 1.013 59.230 58.000 0.363 0.000 1.307 387 F CB -0.201 39.036 39.000 0.396 0.000 1.019 387 F HN 0.269 nan 8.300 nan 0.000 0.489 388 A N 0.624 123.606 122.820 0.270 0.000 1.865 388 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 388 A C 2.441 180.005 177.584 -0.033 0.000 1.191 388 A CA 2.028 54.133 52.037 0.113 0.000 0.623 388 A CB -1.642 17.383 19.000 0.042 0.000 0.826 388 A HN 0.489 nan 8.150 nan 0.000 0.444 389 A N -0.720 122.037 122.820 -0.104 0.000 1.883 389 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 389 A C 2.227 179.714 177.584 -0.163 0.000 1.186 389 A CA 2.084 54.016 52.037 -0.175 0.000 0.624 389 A CB -1.055 17.799 19.000 -0.244 0.000 0.822 389 A HN 0.498 nan 8.150 nan 0.000 0.444 390 V N -0.174 119.660 119.914 -0.133 0.000 2.667 390 V HA -0.160 3.959 4.120 -0.000 0.000 0.252 390 V C 2.675 178.719 176.094 -0.082 0.000 1.065 390 V CA 2.084 64.325 62.300 -0.098 0.000 1.083 390 V CB -0.546 31.267 31.823 -0.015 0.000 0.692 390 V HN 0.556 nan 8.190 nan 0.000 0.468 391 S N -0.394 115.216 115.700 -0.150 0.000 2.387 391 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 391 S C 2.016 176.721 174.600 0.175 0.000 1.026 391 S CA 1.281 59.480 58.200 -0.000 0.000 0.972 391 S CB -0.214 62.991 63.200 0.007 0.000 0.814 391 S HN 0.436 nan 8.310 nan 0.000 0.477 392 K N 1.643 122.077 120.400 0.056 0.000 2.026 392 K HA 0.059 4.379 4.320 -0.000 0.000 0.208 392 K C 1.750 178.372 176.600 0.037 0.000 1.048 392 K CA 1.156 57.476 56.287 0.055 0.000 0.929 392 K CB -0.513 31.953 32.500 -0.056 0.000 0.713 392 K HN 0.313 nan 8.250 nan 0.000 0.439 393 I N 0.101 120.626 120.570 -0.076 0.000 2.179 393 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 393 I C 2.226 178.321 176.117 -0.037 0.000 1.088 393 I CA 1.397 62.625 61.300 -0.120 0.000 1.357 393 I CB -0.390 37.484 38.000 -0.209 0.000 1.051 393 I HN 0.204 nan 8.210 nan 0.000 0.409 394 A N -0.067 122.745 122.820 -0.013 0.000 1.940 394 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 394 A C 1.999 179.453 177.584 -0.217 0.000 1.176 394 A CA 1.554 53.531 52.037 -0.101 0.000 0.631 394 A CB -1.179 17.796 19.000 -0.042 0.000 0.814 394 A HN 0.579 nan 8.150 nan 0.000 0.446 395 W N -1.500 119.791 121.300 -0.015 0.000 2.467 395 W HA -0.033 4.627 4.660 0.000 0.000 0.275 395 W C 2.228 178.713 176.519 -0.056 0.000 1.239 395 W CA 1.235 58.563 57.345 -0.028 0.000 1.266 395 W CB -0.281 29.165 29.460 -0.023 0.000 1.112 395 W HN 0.671 nan 8.180 nan 0.000 0.576 396 H N -0.677 118.400 119.070 0.012 0.000 2.363 396 H HA -0.131 4.425 4.556 -0.000 0.000 0.301 396 H C 2.044 177.231 175.328 -0.235 0.000 1.074 396 H CA 2.328 58.312 56.048 -0.105 0.000 1.354 396 H CB -0.240 29.411 29.762 -0.185 0.000 1.397 396 H HN -0.140 nan 8.280 nan 0.000 0.516 397 V N 0.710 120.460 119.914 -0.273 0.000 2.255 397 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 397 V C 2.521 178.511 176.094 -0.173 0.000 1.051 397 V CA 2.120 64.239 62.300 -0.301 0.000 1.018 397 V CB -0.575 31.127 31.823 -0.202 0.000 0.641 397 V HN 0.456 nan 8.190 nan 0.000 0.445 398 I N -0.258 120.209 120.570 -0.172 0.000 2.248 398 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 398 I C 2.716 178.798 176.117 -0.058 0.000 1.107 398 I CA 2.075 63.290 61.300 -0.143 0.000 1.373 398 I CB -0.356 37.494 38.000 -0.249 0.000 1.055 398 I HN 0.269 nan 8.210 nan 0.000 0.418 399 R N 0.631 121.100 120.500 -0.051 0.000 2.080 399 R HA -0.061 4.279 4.340 -0.000 0.000 0.222 399 R C 1.857 178.103 176.300 -0.089 0.000 1.107 399 R CA 1.328 57.406 56.100 -0.037 0.000 0.980 399 R CB 0.047 30.326 30.300 -0.035 0.000 0.879 399 R HN 0.323 nan 8.270 nan 0.000 0.439 400 N N -0.144 118.455 118.700 -0.168 0.000 2.414 400 N HA 0.044 4.784 4.740 -0.000 0.000 0.177 400 N C 0.409 175.917 175.510 -0.004 0.000 1.062 400 N CA 0.217 53.194 53.050 -0.122 0.000 0.890 400 N CB 0.517 38.854 38.487 -0.249 0.000 1.070 400 N HN -0.052 nan 8.380 nan 0.000 0.454 401 V N 0.000 119.925 119.914 0.018 0.000 2.409 401 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 401 V CA 0.000 62.352 62.300 0.086 0.000 1.235 401 V CB 0.000 31.884 31.823 0.102 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556