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 2ogj_1_C DATA FIRST_RESID 19 DATA SEQUENCE LTNVKPVGFX XXXXXXXXXX LIGXXXXXXX XXXXXXXXXD TQRIXXXXAF DATA SEQUENCE ISPGWVDLHV HIWHGGTDIS IRPSECGAER GVTTLVDAGS AGEANFHGFR DATA SEQUENCE EYIIEPSRER IKAFLNLGSI GLVACNRVPE LRDIKDIDLD RILECYAENS DATA SEQUENCE EHIVGLXVRA SHVITGSWGV TPVKLGKKIA KILKVPXXVH VGEPPALYDE DATA SEQUENCE VLEILGPGDV VTHCFNGKSG SSIXEDEDLF NLAERCXXEG IRLDIGHGGA DATA SEQUENCE SFSFKVAEAA IARGLLPFSI STDLHGHSXN FPVWDLATTX SKLLSVDXPF DATA SEQUENCE ENVVEAVTRN PASVIRLDXX XXXXXXXXAD FTVFDLVDAX XXXXXXXXXX DATA SEQUENCE XXXXRLFEPR YAVIGAEAIA ASRYI 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 19 L HA 0.000 nan 4.340 nan 0.000 0.249 19 L C 0.000 176.766 176.870 -0.173 0.000 1.165 19 L CA 0.000 54.714 54.840 -0.210 0.000 0.813 19 L CB 0.000 41.878 42.059 -0.301 0.000 0.961 20 T N 0.752 115.212 114.554 -0.157 0.000 2.883 20 T HA 0.407 4.757 4.350 -0.000 0.000 0.301 20 T C -0.130 174.499 174.700 -0.119 0.000 1.158 20 T CA 0.217 62.241 62.100 -0.126 0.000 1.007 20 T CB 1.370 70.177 68.868 -0.103 0.000 1.186 20 T HN 0.921 nan 8.240 nan 0.000 0.499 21 N N 1.366 120.001 118.700 -0.108 0.000 2.754 21 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 21 N C -0.535 174.906 175.510 -0.116 0.000 1.093 21 N CA 1.172 54.159 53.050 -0.105 0.000 0.699 21 N CB -2.187 36.247 38.487 -0.088 0.000 1.016 21 N HN 0.966 nan 8.380 nan 0.000 0.552 22 V N -2.068 117.773 119.914 -0.121 0.000 2.417 22 V HA 0.590 4.709 4.120 -0.000 0.000 0.291 22 V C 0.419 176.446 176.094 -0.112 0.000 1.024 22 V CA -1.013 61.221 62.300 -0.109 0.000 0.861 22 V CB 1.555 33.317 31.823 -0.101 0.000 0.985 22 V HN 0.180 nan 8.190 nan 0.000 0.436 23 K N 6.454 126.775 120.400 -0.132 0.000 2.231 23 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 23 K C -2.594 174.049 176.600 0.072 0.000 1.105 23 K CA -1.593 54.623 56.287 -0.118 0.000 0.931 23 K CB 1.022 33.316 32.500 -0.342 0.000 1.296 23 K HN 0.571 nan 8.250 nan 0.000 0.446 24 P HA -0.047 nan 4.420 nan 0.000 0.265 24 P C -0.440 177.078 177.300 0.363 0.000 1.193 24 P CA -0.158 63.021 63.100 0.133 0.000 0.765 24 P CB 0.877 32.403 31.700 -0.289 0.000 0.823 25 V N -1.671 118.644 119.914 0.669 0.000 2.851 25 V HA 0.764 4.884 4.120 -0.000 0.000 0.307 25 V C 0.823 177.267 176.094 0.582 0.000 1.129 25 V CA -0.170 62.503 62.300 0.621 0.000 0.932 25 V CB 1.012 33.254 31.823 0.698 0.000 1.024 25 V HN 0.810 nan 8.190 nan 0.000 0.426 26 G N 1.974 111.020 108.800 0.410 0.000 2.205 26 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 26 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 26 G C -0.134 174.868 174.900 0.170 0.000 0.980 26 G CA 0.583 45.817 45.100 0.223 0.000 0.632 26 G HN 0.947 nan 8.290 nan 0.000 0.533 40 I N -0.713 119.864 120.570 0.012 0.000 3.279 40 I HA 1.049 5.219 4.170 -0.000 0.000 0.315 40 I C 0.584 176.714 176.117 0.022 0.000 1.225 40 I CA -0.327 60.993 61.300 0.033 0.000 0.947 40 I CB 1.881 39.921 38.000 0.067 0.000 1.293 40 I HN 0.249 nan 8.210 nan 0.000 0.468 59 T N -1.109 113.424 114.554 -0.034 0.000 2.716 59 T HA 0.637 4.987 4.350 -0.000 0.000 0.286 59 T C -1.886 172.769 174.700 -0.076 0.000 1.052 59 T CA -0.306 61.764 62.100 -0.049 0.000 1.024 59 T CB 1.609 70.452 68.868 -0.042 0.000 1.349 59 T HN 0.460 nan 8.240 nan 0.000 0.525 60 Q N 0.732 120.473 119.800 -0.098 0.000 2.430 60 Q HA 0.627 4.966 4.340 -0.000 0.000 0.253 60 Q C -1.420 174.488 176.000 -0.154 0.000 0.945 60 Q CA -0.864 54.852 55.803 -0.144 0.000 0.964 60 Q CB 0.537 29.196 28.738 -0.132 0.000 1.460 60 Q HN 0.478 nan 8.270 nan 0.000 0.428 61 R N 1.132 121.495 120.500 -0.228 0.000 2.583 61 R HA 0.744 5.084 4.340 -0.000 0.000 0.268 61 R C -0.064 176.144 176.300 -0.152 0.000 1.101 61 R CA -0.372 55.612 56.100 -0.194 0.000 1.180 61 R CB 0.316 30.445 30.300 -0.284 0.000 1.128 61 R HN 0.691 nan 8.270 nan 0.000 0.568 68 F N -0.041 119.775 119.950 -0.224 0.000 2.408 68 F HA 0.694 5.221 4.527 -0.000 0.000 0.303 68 F C 0.522 176.221 175.800 -0.169 0.000 1.268 68 F CA 0.397 58.202 58.000 -0.325 0.000 1.218 68 F CB 0.555 39.008 39.000 -0.911 0.000 1.283 68 F HN 0.168 nan 8.300 nan 0.000 0.545 69 I N 0.388 121.118 120.570 0.265 0.000 2.741 69 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 69 I C -1.307 175.225 176.117 0.692 0.000 1.482 69 I CA -0.018 61.530 61.300 0.414 0.000 1.050 69 I CB 1.432 39.592 38.000 0.266 0.000 1.388 69 I HN 0.680 nan 8.210 nan 0.000 0.428 70 S N 6.552 122.680 115.700 0.712 0.000 2.705 70 S HA 0.716 5.186 4.470 -0.000 0.000 0.280 70 S C -3.115 171.617 174.600 0.220 0.000 1.174 70 S CA -1.322 57.206 58.200 0.547 0.000 0.823 70 S CB 2.054 65.584 63.200 0.550 0.000 1.162 70 S HN 0.458 nan 8.310 nan 0.000 0.487 71 P HA 0.218 nan 4.420 nan 0.000 0.271 71 P C 0.566 177.828 177.300 -0.064 0.000 1.216 71 P CA 0.453 63.420 63.100 -0.221 0.000 0.771 71 P CB -0.178 31.307 31.700 -0.359 0.000 0.864 72 G N 4.388 113.130 108.800 -0.095 0.000 2.164 72 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.259 72 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.259 72 G C 0.048 174.978 174.900 0.049 0.000 0.894 72 G CA -0.429 44.633 45.100 -0.063 0.000 0.961 72 G HN 0.393 nan 8.290 nan 0.000 0.369 73 W N 0.810 122.059 121.300 -0.085 0.000 2.345 73 W HA 0.293 4.953 4.660 -0.000 0.000 0.346 73 W C 0.428 176.882 176.519 -0.108 0.000 1.243 73 W CA -0.591 56.673 57.345 -0.136 0.000 1.327 73 W CB 0.214 29.569 29.460 -0.174 0.000 1.187 73 W HN 0.362 nan 8.180 nan 0.000 0.588 74 V N 3.587 123.559 119.914 0.097 0.000 2.525 74 V HA 0.226 4.346 4.120 -0.000 0.000 0.299 74 V C -1.085 175.003 176.094 -0.011 0.000 1.034 74 V CA -0.723 61.596 62.300 0.032 0.000 0.863 74 V CB 1.525 33.349 31.823 0.002 0.000 0.999 74 V HN 0.406 nan 8.190 nan 0.000 0.423 75 D N 4.809 125.216 120.400 0.010 0.000 2.396 75 D HA 0.220 4.860 4.640 -0.000 0.000 0.225 75 D C 0.624 176.946 176.300 0.037 0.000 1.121 75 D CA -0.205 53.793 54.000 -0.004 0.000 0.853 75 D CB 1.783 42.586 40.800 0.004 0.000 1.043 75 D HN 0.547 nan 8.370 nan 0.000 0.500 76 L N 4.141 125.394 121.223 0.049 0.000 2.376 76 L HA 0.071 4.411 4.340 -0.000 0.000 0.219 76 L C 0.191 177.167 176.870 0.176 0.000 1.133 76 L CA 1.184 56.096 54.840 0.119 0.000 0.816 76 L CB -0.341 41.796 42.059 0.130 0.000 0.933 76 L HN 0.534 nan 8.230 nan 0.000 0.449 77 H N -1.044 118.023 119.070 -0.006 0.000 2.917 77 H HA 0.549 5.105 4.556 -0.000 0.000 0.279 77 H C -1.554 173.704 175.328 -0.116 0.000 1.211 77 H CA -0.554 55.458 56.048 -0.061 0.000 1.534 77 H CB 0.950 30.666 29.762 -0.077 0.000 1.581 77 H HN -0.063 nan 8.280 nan 0.000 0.510 78 V N 4.239 124.185 119.914 0.052 0.000 3.130 78 V HA 0.344 4.464 4.120 -0.000 0.000 0.310 78 V C -1.243 174.702 176.094 -0.250 0.000 1.158 78 V CA -0.618 61.661 62.300 -0.035 0.000 1.029 78 V CB 2.537 34.383 31.823 0.039 0.000 1.057 78 V HN 0.782 nan 8.190 nan 0.000 0.436 79 H N 5.705 124.912 119.070 0.229 0.000 2.866 79 H HA 0.441 4.997 4.556 -0.000 0.000 0.287 79 H C 0.068 175.552 175.328 0.260 0.000 1.106 79 H CA -0.047 56.145 56.048 0.240 0.000 1.396 79 H CB 1.094 30.997 29.762 0.235 0.000 1.469 79 H HN 0.656 nan 8.280 nan 0.000 0.500 80 I N -1.883 118.927 120.570 0.400 0.000 3.762 80 I HA 0.208 4.378 4.170 -0.000 0.000 0.333 80 I C 0.234 176.715 176.117 0.606 0.000 1.566 80 I CA -0.362 61.182 61.300 0.406 0.000 1.129 80 I CB 0.159 38.326 38.000 0.279 0.000 1.218 80 I HN 0.312 nan 8.210 nan 0.000 0.456 81 W N 3.418 124.974 121.300 0.426 0.000 1.694 81 W HA 0.224 4.884 4.660 -0.000 0.000 0.425 81 W C 0.668 177.326 176.519 0.231 0.000 0.615 81 W CA -0.949 56.658 57.345 0.436 0.000 2.237 81 W CB -0.018 29.615 29.460 0.288 0.000 1.478 81 W HN 0.334 nan 8.180 nan 0.000 0.427 82 H N 1.052 120.438 119.070 0.527 0.000 3.064 82 H HA 0.166 4.722 4.556 -0.000 0.000 0.329 82 H C 1.386 176.816 175.328 0.171 0.000 1.020 82 H CA 2.269 58.469 56.048 0.254 0.000 1.402 82 H CB 0.902 30.764 29.762 0.165 0.000 1.379 82 H HN 0.572 nan 8.280 nan 0.000 0.594 83 G N 2.921 111.310 108.800 -0.685 0.000 2.708 83 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.229 83 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.229 83 G C 1.518 176.055 174.900 -0.605 0.000 1.236 83 G CA 0.520 45.265 45.100 -0.593 0.000 0.749 83 G HN 1.080 nan 8.290 nan 0.000 0.515 84 G N 0.379 108.565 108.800 -1.023 0.000 2.484 84 G HA2 0.366 4.326 3.960 -0.000 0.000 0.218 84 G HA3 0.366 4.326 3.960 -0.000 0.000 0.218 84 G C 0.878 175.091 174.900 -1.145 0.000 1.130 84 G CA 2.311 46.364 45.100 -1.746 0.000 0.784 84 G HN 1.752 nan 8.290 nan 0.000 0.543 85 T N -2.363 111.719 114.554 -0.787 0.000 2.916 85 T HA 0.425 4.775 4.350 -0.000 0.000 0.292 85 T C 0.625 175.154 174.700 -0.285 0.000 1.055 85 T CA 0.019 61.853 62.100 -0.444 0.000 1.009 85 T CB 2.278 70.966 68.868 -0.301 0.000 1.118 85 T HN 0.025 nan 8.240 nan 0.000 0.497 86 D N 0.676 120.944 120.400 -0.220 0.000 2.234 86 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 86 D C 1.459 177.665 176.300 -0.155 0.000 0.962 86 D CA 0.347 54.244 54.000 -0.173 0.000 0.855 86 D CB -0.074 40.637 40.800 -0.148 0.000 0.951 86 D HN 0.382 nan 8.370 nan 0.000 0.500 87 I N 0.710 121.179 120.570 -0.167 0.000 3.228 87 I HA 0.056 4.226 4.170 -0.000 0.000 0.279 87 I C 0.376 176.480 176.117 -0.022 0.000 1.221 87 I CA 0.108 61.302 61.300 -0.176 0.000 1.458 87 I CB 0.085 37.918 38.000 -0.278 0.000 1.105 87 I HN -0.222 nan 8.210 nan 0.000 0.445 88 S N 1.643 117.371 115.700 0.047 0.000 2.579 88 S HA 0.368 4.838 4.470 -0.000 0.000 0.275 88 S C 0.241 174.982 174.600 0.235 0.000 1.345 88 S CA -0.291 58.033 58.200 0.205 0.000 1.031 88 S CB 0.371 63.749 63.200 0.297 0.000 0.892 88 S HN 0.273 nan 8.310 nan 0.000 0.529 89 I N -0.703 120.021 120.570 0.257 0.000 2.947 89 I HA 0.614 4.784 4.170 -0.000 0.000 0.314 89 I C 0.084 176.307 176.117 0.177 0.000 1.028 89 I CA -1.388 60.034 61.300 0.203 0.000 1.077 89 I CB 0.952 39.022 38.000 0.117 0.000 1.274 89 I HN 0.345 nan 8.210 nan 0.000 0.485 90 R N 2.291 122.787 120.500 -0.006 0.000 2.694 90 R HA 0.191 4.531 4.340 -0.000 0.000 0.268 90 R C -1.580 174.714 176.300 -0.011 0.000 1.061 90 R CA -1.085 54.928 56.100 -0.144 0.000 1.133 90 R CB 0.286 30.400 30.300 -0.310 0.000 1.020 90 R HN 0.539 nan 8.270 nan 0.000 0.475 91 P HA -0.087 nan 4.420 nan 0.000 0.239 91 P C 0.123 177.424 177.300 0.001 0.000 1.184 91 P CA 0.998 64.109 63.100 0.018 0.000 0.760 91 P CB 0.320 32.017 31.700 -0.005 0.000 0.884 92 S N -2.018 113.671 115.700 -0.018 0.000 2.601 92 S HA 0.258 4.728 4.470 -0.000 0.000 0.244 92 S C 0.955 175.554 174.600 -0.002 0.000 1.001 92 S CA -0.463 57.731 58.200 -0.010 0.000 0.984 92 S CB -0.324 62.865 63.200 -0.018 0.000 0.842 92 S HN 0.082 nan 8.310 nan 0.000 0.474 93 E N 0.741 120.940 120.200 -0.003 0.000 2.498 93 E HA 0.211 4.561 4.350 -0.000 0.000 0.203 93 E C 0.056 176.650 176.600 -0.011 0.000 1.013 93 E CA -0.004 56.394 56.400 -0.003 0.000 0.927 93 E CB 0.956 30.644 29.700 -0.020 0.000 1.012 93 E HN 0.780 nan 8.360 nan 0.000 0.482 94 C N -1.578 117.727 119.300 0.008 0.000 2.891 94 C HA 0.911 5.371 4.460 -0.000 0.000 0.342 94 C C 0.491 175.501 174.990 0.033 0.000 1.126 94 C CA -0.105 58.923 59.018 0.018 0.000 1.322 94 C CB 0.884 28.631 27.740 0.010 0.000 1.763 94 C HN 0.417 nan 8.230 nan 0.000 0.491 95 G N 1.730 110.559 108.800 0.047 0.000 2.255 95 G HA2 0.466 4.426 3.960 -0.000 0.000 0.216 95 G HA3 0.466 4.426 3.960 -0.000 0.000 0.216 95 G C 0.766 175.687 174.900 0.034 0.000 1.307 95 G CA 0.579 45.705 45.100 0.043 0.000 1.162 95 G HN 2.213 nan 8.290 nan 0.000 0.494 96 A N -0.068 122.765 122.820 0.020 0.000 1.893 96 A HA -0.184 4.136 4.320 -0.000 0.000 0.222 96 A C 1.841 179.427 177.584 0.003 0.000 1.309 96 A CA 2.850 54.893 52.037 0.010 0.000 0.681 96 A CB -1.033 17.975 19.000 0.013 0.000 0.842 96 A HN 0.927 nan 8.150 nan 0.000 0.468 97 E N -1.095 119.111 120.200 0.009 0.000 2.533 97 E HA -0.064 4.286 4.350 -0.000 0.000 0.201 97 E C 0.937 177.545 176.600 0.013 0.000 1.097 97 E CA 0.192 56.594 56.400 0.003 0.000 0.887 97 E CB 0.058 29.764 29.700 0.009 0.000 0.855 97 E HN 0.392 nan 8.360 nan 0.000 0.540 98 R N -0.921 119.596 120.500 0.028 0.000 2.531 98 R HA 0.146 4.486 4.340 -0.000 0.000 0.316 98 R C 0.849 177.184 176.300 0.059 0.000 0.955 98 R CA 0.500 56.640 56.100 0.067 0.000 1.120 98 R CB 1.173 31.529 30.300 0.094 0.000 1.361 98 R HN 0.205 nan 8.270 nan 0.000 0.534 99 G N 1.156 109.933 108.800 -0.038 0.000 2.137 99 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.237 99 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.237 99 G C -0.161 174.659 174.900 -0.133 0.000 1.002 99 G CA 0.181 45.149 45.100 -0.221 0.000 0.702 99 G HN 0.098 nan 8.290 nan 0.000 0.515 100 V N 1.395 121.334 119.914 0.041 0.000 2.326 100 V HA 0.567 4.687 4.120 -0.000 0.000 0.281 100 V C 1.233 177.356 176.094 0.048 0.000 1.015 100 V CA 0.356 62.723 62.300 0.112 0.000 0.823 100 V CB 1.242 33.150 31.823 0.142 0.000 1.009 100 V HN 0.677 nan 8.190 nan 0.000 0.436 101 T N -0.399 114.174 114.554 0.031 0.000 3.086 101 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 101 T C 0.588 175.296 174.700 0.014 0.000 1.074 101 T CA 0.049 62.155 62.100 0.011 0.000 0.988 101 T CB 0.048 68.910 68.868 -0.011 0.000 0.988 101 T HN 0.512 nan 8.240 nan 0.000 0.530 102 T N 2.548 117.120 114.554 0.030 0.000 3.008 102 T HA 0.537 4.887 4.350 -0.000 0.000 0.328 102 T C -0.696 174.026 174.700 0.038 0.000 1.020 102 T CA -0.591 61.524 62.100 0.025 0.000 1.043 102 T CB 0.945 69.820 68.868 0.012 0.000 1.010 102 T HN 0.246 nan 8.240 nan 0.000 0.466 103 L N 2.977 124.226 121.223 0.044 0.000 2.309 103 L HA 0.758 5.098 4.340 -0.000 0.000 0.282 103 L C -0.436 176.479 176.870 0.076 0.000 1.036 103 L CA -1.102 53.775 54.840 0.061 0.000 0.806 103 L CB 1.642 43.743 42.059 0.071 0.000 1.220 103 L HN 0.300 nan 8.230 nan 0.000 0.429 104 V N 1.826 121.787 119.914 0.079 0.000 2.409 104 V HA 0.161 4.280 4.120 -0.000 0.000 0.290 104 V C -0.257 175.893 176.094 0.092 0.000 1.017 104 V CA -0.740 61.608 62.300 0.080 0.000 0.841 104 V CB 1.624 33.482 31.823 0.058 0.000 1.003 104 V HN 0.715 nan 8.190 nan 0.000 0.426 105 D N 4.410 124.874 120.400 0.107 0.000 2.371 105 D HA 0.216 4.856 4.640 -0.000 0.000 0.256 105 D C 0.442 176.741 176.300 -0.002 0.000 1.193 105 D CA -0.109 53.908 54.000 0.028 0.000 0.881 105 D CB 1.880 42.652 40.800 -0.047 0.000 1.143 105 D HN 0.685 nan 8.370 nan 0.000 0.473 106 A N 3.224 125.951 122.820 -0.154 0.000 3.118 106 A HA 0.472 4.792 4.320 -0.000 0.000 0.256 106 A C 1.228 178.805 177.584 -0.012 0.000 1.667 106 A CA 0.180 52.101 52.037 -0.193 0.000 1.338 106 A CB -0.601 17.946 19.000 -0.756 0.000 1.127 106 A HN 0.828 nan 8.150 nan 0.000 0.634 107 G N -0.145 108.683 108.800 0.048 0.000 2.137 107 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.237 107 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.237 107 G C 1.074 176.041 174.900 0.111 0.000 1.002 107 G CA 0.586 45.722 45.100 0.059 0.000 0.702 107 G HN 0.673 nan 8.290 nan 0.000 0.515 108 S N -0.441 115.361 115.700 0.171 0.000 2.399 108 S HA 0.288 4.758 4.470 -0.000 0.000 0.231 108 S C 1.527 176.294 174.600 0.277 0.000 1.022 108 S CA 1.499 59.847 58.200 0.248 0.000 0.983 108 S CB 0.060 63.488 63.200 0.380 0.000 0.803 108 S HN 1.745 nan 8.310 nan 0.000 0.480 109 A N 0.547 123.481 122.820 0.190 0.000 2.337 109 A HA 0.744 5.064 4.320 -0.000 0.000 0.329 109 A C 0.361 178.057 177.584 0.187 0.000 1.146 109 A CA -0.313 51.884 52.037 0.267 0.000 0.800 109 A CB 1.164 20.236 19.000 0.120 0.000 1.220 109 A HN 0.343 nan 8.150 nan 0.000 0.472 110 G N -0.146 108.779 108.800 0.208 0.000 2.887 110 G HA2 0.495 4.455 3.960 -0.000 0.000 0.277 110 G HA3 0.495 4.455 3.960 -0.000 0.000 0.277 110 G C 0.409 175.434 174.900 0.208 0.000 1.346 110 G CA 0.180 45.374 45.100 0.156 0.000 1.058 110 G HN 0.784 nan 8.290 nan 0.000 0.535 111 E N -0.557 119.739 120.200 0.161 0.000 2.153 111 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 111 E C 2.271 179.015 176.600 0.240 0.000 0.988 111 E CA 1.713 58.224 56.400 0.185 0.000 0.811 111 E CB -0.568 29.202 29.700 0.118 0.000 0.746 111 E HN 0.431 nan 8.360 nan 0.000 0.466 112 A N 1.766 124.710 122.820 0.208 0.000 1.986 112 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 112 A C 1.540 179.316 177.584 0.321 0.000 1.171 112 A CA 1.841 54.010 52.037 0.221 0.000 0.640 112 A CB -0.594 18.501 19.000 0.158 0.000 0.811 112 A HN 0.522 nan 8.150 nan 0.000 0.451 113 N N -2.612 116.283 118.700 0.325 0.000 2.475 113 N HA 0.064 4.804 4.740 -0.000 0.000 0.272 113 N C 0.275 175.904 175.510 0.198 0.000 1.482 113 N CA -0.176 53.026 53.050 0.252 0.000 0.863 113 N CB -0.890 37.778 38.487 0.301 0.000 1.400 113 N HN 0.201 nan 8.380 nan 0.000 0.489 114 F N 3.131 123.186 119.950 0.175 0.000 2.186 114 F HA -0.130 4.396 4.527 -0.000 0.000 0.299 114 F C 2.507 178.312 175.800 0.007 0.000 1.090 114 F CA 1.755 59.795 58.000 0.067 0.000 1.307 114 F CB -0.062 38.986 39.000 0.079 0.000 1.019 114 F HN 0.250 nan 8.300 nan 0.000 0.489 115 H N -1.224 117.850 119.070 0.006 0.000 2.353 115 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 115 H C 2.352 177.513 175.328 -0.278 0.000 1.103 115 H CA 1.415 57.394 56.048 -0.116 0.000 1.293 115 H CB -1.648 28.115 29.762 0.002 0.000 1.372 115 H HN 0.351 nan 8.280 nan 0.000 0.501 116 G N 0.461 108.825 108.800 -0.727 0.000 2.422 116 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 116 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 116 G C 1.664 176.172 174.900 -0.654 0.000 1.146 116 G CA 0.676 45.536 45.100 -0.399 0.000 0.769 116 G HN 0.452 nan 8.290 nan 0.000 0.547 117 F N 1.387 120.560 119.950 -1.294 0.000 2.134 117 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 117 F C 2.648 177.803 175.800 -1.075 0.000 1.097 117 F CA 1.665 58.647 58.000 -1.697 0.000 1.264 117 F CB -0.193 37.789 39.000 -1.697 0.000 1.001 117 F HN 0.065 nan 8.300 nan 0.000 0.479 118 R N 0.613 120.491 120.500 -1.038 0.000 2.080 118 R HA -0.241 4.099 4.340 -0.000 0.000 0.236 118 R C 2.298 178.223 176.300 -0.625 0.000 1.137 118 R CA 2.223 57.805 56.100 -0.863 0.000 0.943 118 R CB -0.545 29.352 30.300 -0.670 0.000 0.846 118 R HN 0.625 nan 8.270 nan 0.000 0.431 119 E N -1.400 118.471 120.200 -0.548 0.000 2.250 119 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 119 E C 1.202 177.562 176.600 -0.399 0.000 0.986 119 E CA 0.550 56.681 56.400 -0.449 0.000 0.849 119 E CB -0.087 29.341 29.700 -0.452 0.000 0.797 119 E HN 0.380 nan 8.360 nan 0.000 0.482 120 Y N 0.252 120.359 120.300 -0.323 0.000 2.448 120 Y HA 0.136 4.686 4.550 -0.000 0.000 0.289 120 Y C 1.836 177.567 175.900 -0.281 0.000 1.114 120 Y CA 0.225 58.197 58.100 -0.213 0.000 1.235 120 Y CB 0.402 38.816 38.460 -0.076 0.000 1.045 120 Y HN 0.146 nan 8.280 nan 0.000 0.554 121 I N -1.482 118.842 120.570 -0.410 0.000 3.393 121 I HA -0.022 4.147 4.170 -0.000 0.000 0.250 121 I C 2.089 177.902 176.117 -0.507 0.000 1.122 121 I CA 0.424 61.416 61.300 -0.513 0.000 1.484 121 I CB -1.111 36.319 38.000 -0.950 0.000 1.468 121 I HN 0.025 nan 8.210 nan 0.000 0.461 122 I N 1.602 121.747 120.570 -0.707 0.000 2.076 122 I HA -0.306 3.864 4.170 -0.000 0.000 0.237 122 I C 2.535 178.504 176.117 -0.246 0.000 1.059 122 I CA 1.795 62.828 61.300 -0.445 0.000 1.317 122 I CB -0.470 37.238 38.000 -0.487 0.000 1.037 122 I HN 0.273 nan 8.210 nan 0.000 0.398 123 E N 0.825 120.880 120.200 -0.243 0.000 2.058 123 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 123 E C -0.637 175.905 176.600 -0.098 0.000 0.997 123 E CA 1.398 57.717 56.400 -0.134 0.000 0.801 123 E CB -1.097 28.523 29.700 -0.134 0.000 0.746 123 E HN 0.559 nan 8.360 nan 0.000 0.450 124 P HA 0.027 nan 4.420 nan 0.000 0.245 124 P C 0.180 177.446 177.300 -0.056 0.000 1.212 124 P CA 0.407 63.469 63.100 -0.063 0.000 0.774 124 P CB 0.454 32.127 31.700 -0.045 0.000 0.999 125 S N -0.115 115.538 115.700 -0.079 0.000 2.610 125 S HA 0.259 4.729 4.470 -0.000 0.000 0.273 125 S C 1.404 175.981 174.600 -0.038 0.000 1.274 125 S CA -0.630 57.533 58.200 -0.061 0.000 1.023 125 S CB 1.110 64.259 63.200 -0.085 0.000 0.962 125 S HN -0.056 nan 8.310 nan 0.000 0.523 126 R N 1.233 121.720 120.500 -0.022 0.000 2.075 126 R HA 0.061 4.401 4.340 -0.000 0.000 0.226 126 R C 0.120 176.415 176.300 -0.008 0.000 1.114 126 R CA 0.737 56.830 56.100 -0.010 0.000 0.972 126 R CB -0.288 30.012 30.300 -0.001 0.000 0.869 126 R HN 0.605 nan 8.270 nan 0.000 0.437 127 E N 0.989 121.185 120.200 -0.007 0.000 2.410 127 E HA 0.047 4.397 4.350 -0.000 0.000 0.255 127 E C -0.187 176.411 176.600 -0.003 0.000 1.194 127 E CA -0.064 56.336 56.400 -0.001 0.000 0.955 127 E CB 0.410 30.114 29.700 0.008 0.000 0.988 127 E HN -0.030 nan 8.360 nan 0.000 0.461 128 R N 1.491 121.992 120.500 0.003 0.000 2.248 128 R HA 0.225 4.565 4.340 -0.000 0.000 0.337 128 R C -0.614 175.700 176.300 0.023 0.000 1.106 128 R CA -0.125 55.980 56.100 0.008 0.000 0.959 128 R CB -0.165 30.135 30.300 -0.000 0.000 1.075 128 R HN 0.465 nan 8.270 nan 0.000 0.480 129 I N 5.337 125.925 120.570 0.030 0.000 2.304 129 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 129 I C 0.227 176.417 176.117 0.122 0.000 1.018 129 I CA -0.428 60.907 61.300 0.059 0.000 1.260 129 I CB 1.096 39.094 38.000 -0.004 0.000 1.390 129 I HN 0.322 nan 8.210 nan 0.000 0.475 130 K N 4.604 125.078 120.400 0.122 0.000 2.316 130 K HA 0.943 5.263 4.320 -0.000 0.000 0.234 130 K C -0.910 175.771 176.600 0.135 0.000 1.054 130 K CA -0.916 55.440 56.287 0.116 0.000 0.879 130 K CB 2.473 34.971 32.500 -0.004 0.000 1.252 130 K HN 0.654 nan 8.250 nan 0.000 0.471 131 A N 0.602 123.449 122.820 0.045 0.000 2.594 131 A HA 0.608 4.928 4.320 -0.000 0.000 0.296 131 A C -1.782 175.720 177.584 -0.137 0.000 1.061 131 A CA -0.736 51.306 52.037 0.007 0.000 0.689 131 A CB 0.547 19.624 19.000 0.128 0.000 1.280 131 A HN 0.413 nan 8.150 nan 0.000 0.406 132 F N 0.953 120.869 119.950 -0.056 0.000 2.404 132 F HA 0.529 5.056 4.527 -0.000 0.000 0.345 132 F C 0.312 176.058 175.800 -0.090 0.000 1.110 132 F CA -0.284 57.666 58.000 -0.083 0.000 1.130 132 F CB 1.618 40.547 39.000 -0.119 0.000 1.129 132 F HN 0.505 nan 8.300 nan 0.000 0.500 133 L N 4.981 126.253 121.223 0.081 0.000 2.305 133 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 133 L C 0.072 176.966 176.870 0.040 0.000 1.085 133 L CA -0.118 54.734 54.840 0.020 0.000 0.813 133 L CB 0.299 42.324 42.059 -0.057 0.000 1.157 133 L HN 0.477 nan 8.230 nan 0.000 0.436 134 N N 3.150 121.874 118.700 0.040 0.000 2.513 134 N HA -0.032 4.707 4.740 -0.000 0.000 0.268 134 N C 0.849 176.366 175.510 0.012 0.000 1.180 134 N CA -0.128 52.932 53.050 0.016 0.000 0.948 134 N CB 1.078 39.581 38.487 0.028 0.000 1.083 134 N HN 0.757 nan 8.380 nan 0.000 0.455 135 L N 3.116 124.331 121.223 -0.013 0.000 2.265 135 L HA 0.110 4.450 4.340 -0.000 0.000 0.215 135 L C 0.931 177.813 176.870 0.021 0.000 1.117 135 L CA 1.074 55.909 54.840 -0.009 0.000 0.782 135 L CB -0.746 41.291 42.059 -0.037 0.000 0.914 135 L HN 0.576 nan 8.230 nan 0.000 0.441 136 G N -1.476 107.339 108.800 0.026 0.000 2.319 136 G HA2 0.371 4.331 3.960 -0.000 0.000 0.308 136 G HA3 0.371 4.331 3.960 -0.000 0.000 0.308 136 G C 0.792 175.726 174.900 0.056 0.000 1.117 136 G CA 0.207 45.335 45.100 0.047 0.000 0.903 136 G HN 0.223 nan 8.290 nan 0.000 0.436 137 S N 2.609 118.348 115.700 0.064 0.000 2.414 137 S HA -0.325 4.145 4.470 -0.000 0.000 0.238 137 S C 2.442 177.093 174.600 0.084 0.000 1.055 137 S CA 2.039 60.284 58.200 0.076 0.000 1.174 137 S CB -0.540 62.701 63.200 0.068 0.000 1.087 137 S HN 0.872 nan 8.310 nan 0.000 0.428 138 I N 0.137 120.744 120.570 0.061 0.000 2.700 138 I HA 0.155 4.325 4.170 -0.000 0.000 0.261 138 I C 1.330 177.474 176.117 0.045 0.000 1.219 138 I CA 0.637 61.967 61.300 0.049 0.000 1.463 138 I CB -1.519 36.493 38.000 0.020 0.000 1.092 138 I HN 0.431 nan 8.210 nan 0.000 0.452 139 G N 2.252 111.082 108.800 0.050 0.000 2.575 139 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 139 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 139 G C -0.051 174.846 174.900 -0.004 0.000 1.264 139 G CA 0.190 45.318 45.100 0.046 0.000 0.935 139 G HN 0.424 nan 8.290 nan 0.000 0.568 140 L N 1.719 122.931 121.223 -0.018 0.000 3.001 140 L HA 0.229 4.569 4.340 -0.000 0.000 0.234 140 L C 2.355 179.152 176.870 -0.121 0.000 1.321 140 L CA 0.186 54.977 54.840 -0.081 0.000 1.138 140 L CB -0.118 41.868 42.059 -0.121 0.000 1.503 140 L HN 0.661 nan 8.230 nan 0.000 0.487 141 V N -1.833 118.009 119.914 -0.120 0.000 2.392 141 V HA -0.118 4.001 4.120 -0.000 0.000 0.249 141 V C 1.322 177.324 176.094 -0.153 0.000 1.059 141 V CA 1.497 63.693 62.300 -0.173 0.000 1.051 141 V CB -0.632 31.103 31.823 -0.147 0.000 0.658 141 V HN 0.486 nan 8.190 nan 0.000 0.455 142 A N -1.040 121.711 122.820 -0.115 0.000 3.258 142 A HA 0.466 4.786 4.320 -0.000 0.000 0.318 142 A C 0.104 177.629 177.584 -0.098 0.000 0.990 142 A CA -0.204 51.772 52.037 -0.102 0.000 0.885 142 A CB -0.364 18.591 19.000 -0.075 0.000 1.090 142 A HN 0.451 nan 8.150 nan 0.000 0.479 143 C N 2.436 121.657 119.300 -0.132 0.000 2.106 143 C HA 0.006 4.466 4.460 -0.000 0.000 0.402 143 C C 1.572 176.498 174.990 -0.107 0.000 1.548 143 C CA 1.706 60.638 59.018 -0.145 0.000 1.432 143 C CB -1.687 25.918 27.740 -0.226 0.000 2.584 143 C HN 0.962 nan 8.230 nan 0.000 0.604 144 N N 2.494 121.146 118.700 -0.080 0.000 2.631 144 N HA -0.213 4.527 4.740 -0.000 0.000 0.218 144 N C 1.248 176.743 175.510 -0.024 0.000 0.972 144 N CA 2.442 55.466 53.050 -0.044 0.000 1.918 144 N CB -0.939 37.523 38.487 -0.042 0.000 0.895 144 N HN 0.813 nan 8.380 nan 0.000 0.540 145 R N 0.580 121.060 120.500 -0.034 0.000 2.070 145 R HA 0.022 4.362 4.340 -0.000 0.000 0.233 145 R C 0.461 176.750 176.300 -0.019 0.000 1.137 145 R CA 1.594 57.681 56.100 -0.022 0.000 0.945 145 R CB 0.060 30.343 30.300 -0.028 0.000 0.845 145 R HN 0.071 nan 8.270 nan 0.000 0.430 146 V N 2.947 122.844 119.914 -0.028 0.000 2.289 146 V HA 0.232 4.352 4.120 -0.000 0.000 0.272 146 V C -2.343 173.740 176.094 -0.017 0.000 1.026 146 V CA -1.991 60.297 62.300 -0.021 0.000 0.807 146 V CB 1.111 32.918 31.823 -0.027 0.000 1.044 146 V HN 0.063 nan 8.190 nan 0.000 0.443 147 P HA 0.029 nan 4.420 nan 0.000 0.263 147 P C 0.385 177.695 177.300 0.016 0.000 1.175 147 P CA 0.280 63.386 63.100 0.010 0.000 0.761 147 P CB 0.737 32.458 31.700 0.036 0.000 0.794 148 E N 2.360 122.569 120.200 0.015 0.000 2.250 148 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 148 E C 0.420 177.060 176.600 0.067 0.000 0.986 148 E CA 0.754 57.170 56.400 0.026 0.000 0.849 148 E CB -0.122 29.583 29.700 0.007 0.000 0.797 148 E HN 0.365 nan 8.360 nan 0.000 0.482 149 L N 1.647 122.932 121.223 0.103 0.000 2.709 149 L HA 0.396 4.736 4.340 -0.000 0.000 0.236 149 L C 0.855 177.925 176.870 0.335 0.000 1.266 149 L CA -0.222 54.750 54.840 0.221 0.000 0.987 149 L CB 0.472 42.638 42.059 0.177 0.000 1.306 149 L HN 0.028 nan 8.230 nan 0.000 0.467 150 R N 0.361 120.963 120.500 0.169 0.000 2.066 150 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 150 R C -0.138 176.035 176.300 -0.212 0.000 1.122 150 R CA 0.919 57.046 56.100 0.046 0.000 0.974 150 R CB 0.105 30.393 30.300 -0.020 0.000 0.871 150 R HN 0.541 nan 8.270 nan 0.000 0.435 151 D N -1.835 118.429 120.400 -0.228 0.000 2.626 151 D HA 0.027 4.667 4.640 -0.000 0.000 0.278 151 D C 0.333 176.469 176.300 -0.272 0.000 1.211 151 D CA -0.781 52.861 54.000 -0.598 0.000 0.903 151 D CB 0.316 40.875 40.800 -0.401 0.000 1.408 151 D HN -0.188 nan 8.370 nan 0.000 0.454 152 I N 0.159 120.534 120.570 -0.326 0.000 2.423 152 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 152 I C 1.534 177.677 176.117 0.043 0.000 1.151 152 I CA 1.453 62.784 61.300 0.052 0.000 1.421 152 I CB -0.413 37.614 38.000 0.046 0.000 1.079 152 I HN 0.305 nan 8.210 nan 0.000 0.431 153 K N 0.303 120.686 120.400 -0.027 0.000 2.442 153 K HA -0.128 4.192 4.320 -0.000 0.000 0.198 153 K C 1.273 177.887 176.600 0.024 0.000 1.044 153 K CA 0.862 57.145 56.287 -0.006 0.000 0.948 153 K CB -0.446 32.035 32.500 -0.032 0.000 0.762 153 K HN 0.418 nan 8.250 nan 0.000 0.472 154 D N 0.263 120.693 120.400 0.050 0.000 2.323 154 D HA 0.074 4.713 4.640 -0.000 0.000 0.209 154 D C 0.572 176.922 176.300 0.083 0.000 0.973 154 D CA 0.338 54.380 54.000 0.070 0.000 0.874 154 D CB 0.354 41.211 40.800 0.094 0.000 0.930 154 D HN 0.167 nan 8.370 nan 0.000 0.521 155 I N 0.841 121.470 120.570 0.098 0.000 2.359 155 I HA 0.161 4.331 4.170 -0.000 0.000 0.294 155 I C -0.071 176.083 176.117 0.061 0.000 0.987 155 I CA -0.495 60.854 61.300 0.082 0.000 1.225 155 I CB 1.684 39.743 38.000 0.098 0.000 1.366 155 I HN -0.318 nan 8.210 nan 0.000 0.466 156 D N 6.353 126.782 120.400 0.049 0.000 2.404 156 D HA 0.120 4.760 4.640 -0.000 0.000 0.267 156 D C 0.631 176.951 176.300 0.033 0.000 1.194 156 D CA -0.495 53.529 54.000 0.041 0.000 0.910 156 D CB 1.387 42.212 40.800 0.043 0.000 1.090 156 D HN 0.396 nan 8.370 nan 0.000 0.511 157 L N 3.688 124.927 121.223 0.027 0.000 2.013 157 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 157 L C 1.596 178.477 176.870 0.017 0.000 1.073 157 L CA 2.172 57.022 54.840 0.016 0.000 0.753 157 L CB -0.392 41.675 42.059 0.013 0.000 0.890 157 L HN 0.356 nan 8.230 nan 0.000 0.432 158 D N -1.120 119.292 120.400 0.020 0.000 2.117 158 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 158 D C 2.188 178.504 176.300 0.027 0.000 0.987 158 D CA 1.322 55.334 54.000 0.021 0.000 0.829 158 D CB 0.016 40.827 40.800 0.019 0.000 0.961 158 D HN 0.340 nan 8.370 nan 0.000 0.460 159 R N -0.222 120.297 120.500 0.032 0.000 2.153 159 R HA 0.075 4.415 4.340 -0.000 0.000 0.218 159 R C 2.435 178.762 176.300 0.046 0.000 1.072 159 R CA 0.462 56.587 56.100 0.041 0.000 0.990 159 R CB -0.109 30.221 30.300 0.049 0.000 0.889 159 R HN 0.357 nan 8.270 nan 0.000 0.452 160 I N 0.984 121.576 120.570 0.038 0.000 2.202 160 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 160 I C 2.275 178.418 176.117 0.043 0.000 1.091 160 I CA 1.233 62.553 61.300 0.032 0.000 1.368 160 I CB -0.200 37.807 38.000 0.011 0.000 1.058 160 I HN 0.093 nan 8.210 nan 0.000 0.410 161 L N 0.390 121.634 121.223 0.036 0.000 1.994 161 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 161 L C 2.566 179.479 176.870 0.072 0.000 1.071 161 L CA 1.612 56.483 54.840 0.052 0.000 0.745 161 L CB -0.548 41.529 42.059 0.030 0.000 0.892 161 L HN 0.221 nan 8.230 nan 0.000 0.431 162 E N -0.966 119.263 120.200 0.049 0.000 2.070 162 E HA -0.327 4.023 4.350 -0.000 0.000 0.197 162 E C 2.310 178.936 176.600 0.042 0.000 1.004 162 E CA 1.796 58.219 56.400 0.039 0.000 0.805 162 E CB -0.334 29.384 29.700 0.031 0.000 0.744 162 E HN 0.566 nan 8.360 nan 0.000 0.451 163 C N 0.166 119.496 119.300 0.051 0.000 2.413 163 C HA -0.196 4.264 4.460 -0.000 0.000 0.276 163 C C 2.539 177.528 174.990 -0.000 0.000 1.236 163 C CA 0.953 59.994 59.018 0.039 0.000 1.735 163 C CB -1.021 26.744 27.740 0.041 0.000 2.031 163 C HN 0.501 nan 8.230 nan 0.000 0.474 164 Y N 1.887 122.132 120.300 -0.092 0.000 2.070 164 Y HA -0.069 4.481 4.550 -0.000 0.000 0.279 164 Y C 2.522 178.379 175.900 -0.071 0.000 1.134 164 Y CA 2.046 60.079 58.100 -0.111 0.000 1.113 164 Y CB -1.102 37.303 38.460 -0.091 0.000 0.981 164 Y HN 0.343 nan 8.280 nan 0.000 0.487 165 A N -0.025 122.798 122.820 0.004 0.000 1.954 165 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 165 A C 2.140 179.650 177.584 -0.124 0.000 1.199 165 A CA 2.540 54.541 52.037 -0.061 0.000 0.657 165 A CB -0.967 18.038 19.000 0.009 0.000 0.823 165 A HN 0.688 nan 8.150 nan 0.000 0.463 166 E N -1.499 118.651 120.200 -0.083 0.000 2.299 166 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 166 E C 0.094 176.664 176.600 -0.050 0.000 0.998 166 E CA 0.796 57.169 56.400 -0.045 0.000 0.851 166 E CB 0.121 29.827 29.700 0.011 0.000 0.795 166 E HN 0.748 nan 8.360 nan 0.000 0.492 167 N N -1.312 117.303 118.700 -0.141 0.000 2.377 167 N HA -0.012 4.728 4.740 -0.000 0.000 0.259 167 N C 0.532 175.835 175.510 -0.346 0.000 1.332 167 N CA 0.118 53.121 53.050 -0.078 0.000 0.877 167 N CB 1.154 39.677 38.487 0.060 0.000 1.299 167 N HN -0.050 nan 8.380 nan 0.000 0.501 168 S N 0.576 115.893 115.700 -0.638 0.000 2.441 168 S HA -0.258 4.212 4.470 -0.000 0.000 0.242 168 S C 1.540 175.867 174.600 -0.454 0.000 1.018 168 S CA 1.226 58.852 58.200 -0.956 0.000 0.988 168 S CB -0.222 62.464 63.200 -0.857 0.000 0.778 168 S HN 0.519 nan 8.310 nan 0.000 0.498 169 E N 0.523 120.499 120.200 -0.372 0.000 2.465 169 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 169 E C 0.731 177.108 176.600 -0.371 0.000 1.053 169 E CA 0.294 56.486 56.400 -0.346 0.000 0.869 169 E CB -0.309 29.160 29.700 -0.385 0.000 0.977 169 E HN 0.696 nan 8.360 nan 0.000 0.483 170 H N 0.246 119.268 119.070 -0.079 0.000 2.258 170 H HA 0.364 4.920 4.556 -0.000 0.000 0.250 170 H C 0.662 175.980 175.328 -0.016 0.000 0.908 170 H CA -0.123 55.943 56.048 0.031 0.000 1.096 170 H CB 0.668 30.563 29.762 0.222 0.000 1.422 170 H HN 0.043 nan 8.280 nan 0.000 0.469 171 I N 3.284 123.848 120.570 -0.009 0.000 2.471 171 I HA -0.048 4.122 4.170 -0.000 0.000 0.286 171 I C 1.510 177.634 176.117 0.011 0.000 1.079 171 I CA -0.061 61.199 61.300 -0.066 0.000 1.398 171 I CB 1.514 39.443 38.000 -0.118 0.000 1.403 171 I HN 0.003 nan 8.210 nan 0.000 0.530 172 V N 2.503 122.311 119.914 -0.178 0.000 3.643 172 V HA 0.632 4.752 4.120 -0.000 0.000 0.280 172 V C 0.652 176.549 176.094 -0.328 0.000 1.351 172 V CA 0.455 62.587 62.300 -0.279 0.000 1.073 172 V CB -0.342 31.186 31.823 -0.492 0.000 0.863 172 V HN 0.919 nan 8.190 nan 0.000 0.436 173 G N -0.504 108.153 108.800 -0.237 0.000 2.322 173 G HA2 0.479 4.439 3.960 -0.000 0.000 0.295 173 G HA3 0.479 4.439 3.960 -0.000 0.000 0.295 173 G C -1.677 173.368 174.900 0.243 0.000 1.369 173 G CA -0.691 44.449 45.100 0.066 0.000 0.821 173 G HN 0.182 nan 8.290 nan 0.000 0.536 177 R N 2.864 123.213 120.500 -0.252 0.000 3.235 177 R HA 0.607 4.947 4.340 -0.000 0.000 0.232 177 R C 0.606 176.806 176.300 -0.165 0.000 1.475 177 R CA 0.107 55.944 56.100 -0.438 0.000 1.405 177 R CB 0.977 30.931 30.300 -0.577 0.000 1.266 177 R HN 0.904 nan 8.270 nan 0.000 0.650 178 A N 1.851 124.660 122.820 -0.018 0.000 2.906 178 A HA 0.293 4.613 4.320 -0.000 0.000 0.289 178 A C -0.428 177.198 177.584 0.070 0.000 1.675 178 A CA 0.181 52.212 52.037 -0.010 0.000 1.372 178 A CB 0.091 19.056 19.000 -0.059 0.000 1.091 178 A HN 0.476 nan 8.150 nan 0.000 0.579 179 S N -0.667 115.078 115.700 0.075 0.000 2.570 179 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 179 S C 0.570 175.209 174.600 0.065 0.000 1.149 179 S CA -0.275 57.959 58.200 0.057 0.000 0.837 179 S CB 0.977 64.234 63.200 0.096 0.000 1.124 179 S HN 0.897 nan 8.310 nan 0.000 0.465 180 H N -0.189 118.924 119.070 0.072 0.000 2.491 180 H HA 0.098 4.654 4.556 -0.000 0.000 0.290 180 H C 1.224 176.593 175.328 0.069 0.000 1.050 180 H CA 1.380 57.472 56.048 0.073 0.000 1.309 180 H CB -0.524 29.274 29.762 0.060 0.000 1.392 180 H HN 0.237 nan 8.280 nan 0.000 0.554 181 V N 0.241 120.151 119.914 -0.006 0.000 2.626 181 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 181 V C 1.718 177.859 176.094 0.079 0.000 1.067 181 V CA 1.735 64.076 62.300 0.068 0.000 1.081 181 V CB -0.382 31.416 31.823 -0.040 0.000 0.686 181 V HN 0.419 nan 8.190 nan 0.000 0.468 182 I N -0.454 120.159 120.570 0.071 0.000 3.194 182 I HA 0.006 4.176 4.170 -0.000 0.000 0.271 182 I C 2.071 178.268 176.117 0.133 0.000 1.150 182 I CA 1.240 62.578 61.300 0.063 0.000 1.440 182 I CB -0.709 37.290 38.000 -0.001 0.000 1.276 182 I HN 0.253 nan 8.210 nan 0.000 0.457 183 T N -1.254 113.400 114.554 0.166 0.000 3.122 183 T HA 0.496 4.846 4.350 -0.000 0.000 0.250 183 T C 1.464 176.391 174.700 0.379 0.000 1.067 183 T CA 0.168 62.452 62.100 0.306 0.000 0.966 183 T CB -0.486 68.460 68.868 0.129 0.000 1.002 183 T HN 0.470 nan 8.240 nan 0.000 0.542 184 G N 2.415 111.365 108.800 0.252 0.000 2.692 184 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.339 184 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.339 184 G C 1.190 176.212 174.900 0.203 0.000 1.226 184 G CA 0.808 46.028 45.100 0.200 0.000 0.979 184 G HN 0.585 nan 8.290 nan 0.000 0.549 185 S N 0.733 116.539 115.700 0.177 0.000 2.517 185 S HA 0.176 4.646 4.470 -0.000 0.000 0.214 185 S C 0.515 175.265 174.600 0.250 0.000 0.991 185 S CA 0.818 59.112 58.200 0.156 0.000 0.906 185 S CB 0.109 63.354 63.200 0.076 0.000 0.789 185 S HN 0.783 nan 8.310 nan 0.000 0.513 186 W N 2.444 123.756 121.300 0.020 0.000 2.311 186 W HA 0.728 5.388 4.660 -0.000 0.000 0.317 186 W C 0.467 176.999 176.519 0.021 0.000 1.065 186 W CA -1.980 55.374 57.345 0.015 0.000 1.364 186 W CB -0.573 28.891 29.460 0.008 0.000 1.233 186 W HN 0.031 nan 8.180 nan 0.000 0.409 187 G N 2.765 111.607 108.800 0.071 0.000 2.547 187 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 187 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 187 G C 1.031 175.833 174.900 -0.165 0.000 1.254 187 G CA 2.198 47.275 45.100 -0.039 0.000 0.817 187 G HN 0.695 nan 8.290 nan 0.000 0.551 188 V N -1.893 117.941 119.914 -0.135 0.000 3.052 188 V HA 0.067 4.187 4.120 -0.000 0.000 0.254 188 V C 2.568 178.513 176.094 -0.248 0.000 1.100 188 V CA 1.925 64.128 62.300 -0.163 0.000 1.112 188 V CB -0.755 31.015 31.823 -0.088 0.000 0.738 188 V HN 0.263 nan 8.190 nan 0.000 0.469 189 T N 2.279 116.662 114.554 -0.284 0.000 2.680 189 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 189 T C 0.101 174.488 174.700 -0.522 0.000 1.033 189 T CA 2.645 64.553 62.100 -0.321 0.000 1.152 189 T CB -1.342 67.427 68.868 -0.166 0.000 0.859 189 T HN 0.623 nan 8.240 nan 0.000 0.452 190 P HA 0.155 nan 4.420 nan 0.000 0.236 190 P C 1.279 178.365 177.300 -0.356 0.000 1.177 190 P CA 0.492 63.181 63.100 -0.685 0.000 0.773 190 P CB -0.057 31.110 31.700 -0.888 0.000 0.878 191 V N 0.637 120.367 119.914 -0.306 0.000 2.500 191 V HA -0.051 4.069 4.120 -0.000 0.000 0.243 191 V C 2.521 178.523 176.094 -0.154 0.000 1.039 191 V CA 1.426 63.606 62.300 -0.199 0.000 1.053 191 V CB -0.958 30.764 31.823 -0.167 0.000 0.695 191 V HN 0.051 nan 8.190 nan 0.000 0.463 192 K N 0.133 120.444 120.400 -0.148 0.000 2.097 192 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 192 K C 2.148 178.692 176.600 -0.094 0.000 1.049 192 K CA 1.309 57.534 56.287 -0.103 0.000 0.933 192 K CB -0.233 32.216 32.500 -0.085 0.000 0.717 192 K HN 0.307 nan 8.250 nan 0.000 0.442 193 L N 0.138 121.293 121.223 -0.113 0.000 2.109 193 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 193 L C 2.312 179.134 176.870 -0.080 0.000 1.086 193 L CA 1.120 55.912 54.840 -0.081 0.000 0.760 193 L CB -0.453 41.559 42.059 -0.080 0.000 0.910 193 L HN 0.291 nan 8.230 nan 0.000 0.437 194 G N -0.394 108.342 108.800 -0.107 0.000 2.421 194 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 194 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 194 G C 1.559 176.405 174.900 -0.090 0.000 1.171 194 G CA 0.938 45.979 45.100 -0.098 0.000 0.775 194 G HN 0.191 nan 8.290 nan 0.000 0.543 195 K N 0.832 121.177 120.400 -0.091 0.000 2.009 195 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 195 K C 2.387 178.944 176.600 -0.072 0.000 1.049 195 K CA 1.799 58.037 56.287 -0.082 0.000 0.929 195 K CB -0.311 32.142 32.500 -0.077 0.000 0.714 195 K HN 0.201 nan 8.250 nan 0.000 0.440 196 K N 0.716 121.077 120.400 -0.064 0.000 2.034 196 K HA -0.143 4.177 4.320 -0.000 0.000 0.214 196 K C 1.853 178.420 176.600 -0.056 0.000 1.051 196 K CA 2.150 58.406 56.287 -0.052 0.000 0.931 196 K CB -0.450 32.025 32.500 -0.042 0.000 0.715 196 K HN 0.312 nan 8.250 nan 0.000 0.446 197 I N 0.130 120.664 120.570 -0.060 0.000 2.163 197 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 197 I C 2.398 178.459 176.117 -0.094 0.000 1.081 197 I CA 1.194 62.455 61.300 -0.065 0.000 1.353 197 I CB -0.611 37.354 38.000 -0.058 0.000 1.054 197 I HN 0.302 nan 8.210 nan 0.000 0.407 198 A N 1.056 123.815 122.820 -0.102 0.000 1.940 198 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 198 A C 2.380 179.891 177.584 -0.122 0.000 1.176 198 A CA 2.182 54.142 52.037 -0.129 0.000 0.631 198 A CB -0.617 18.321 19.000 -0.104 0.000 0.814 198 A HN 0.414 nan 8.150 nan 0.000 0.446 199 K N 0.421 120.766 120.400 -0.091 0.000 1.969 199 K HA -0.142 4.178 4.320 -0.000 0.000 0.216 199 K C 1.637 178.191 176.600 -0.076 0.000 1.048 199 K CA 1.936 58.177 56.287 -0.076 0.000 0.948 199 K CB -0.512 31.952 32.500 -0.060 0.000 0.726 199 K HN 0.620 nan 8.250 nan 0.000 0.442 200 I N -0.385 120.144 120.570 -0.068 0.000 3.493 200 I HA -0.012 4.157 4.170 -0.000 0.000 0.311 200 I C 1.000 177.070 176.117 -0.078 0.000 1.210 200 I CA 0.627 61.892 61.300 -0.058 0.000 1.210 200 I CB -0.072 37.903 38.000 -0.042 0.000 0.993 200 I HN 0.218 nan 8.210 nan 0.000 0.539 201 L N 1.510 122.659 121.223 -0.124 0.000 2.948 201 L HA 0.162 4.502 4.340 -0.000 0.000 0.259 201 L C 0.702 177.437 176.870 -0.224 0.000 1.136 201 L CA -0.010 54.705 54.840 -0.209 0.000 0.959 201 L CB 0.272 42.139 42.059 -0.320 0.000 1.370 201 L HN 0.512 nan 8.230 nan 0.000 0.552 202 K N -0.167 120.145 120.400 -0.147 0.000 3.150 202 K HA -0.174 4.146 4.320 -0.000 0.000 0.267 202 K C -1.079 175.441 176.600 -0.133 0.000 1.028 202 K CA 0.405 56.628 56.287 -0.106 0.000 0.753 202 K CB -2.367 30.099 32.500 -0.056 0.000 1.288 202 K HN 0.110 nan 8.250 nan 0.000 0.473 203 V N 0.402 120.213 119.914 -0.171 0.000 3.159 203 V HA 0.640 4.760 4.120 -0.000 0.000 0.308 203 V C -1.992 174.051 176.094 -0.085 0.000 1.190 203 V CA -1.714 60.492 62.300 -0.157 0.000 1.037 203 V CB 2.124 33.757 31.823 -0.318 0.000 1.060 203 V HN 0.486 nan 8.190 nan 0.000 0.437 208 H N 4.431 123.358 119.070 -0.239 0.000 2.527 208 H HA 0.830 5.386 4.556 -0.000 0.000 0.321 208 H C -0.396 174.856 175.328 -0.127 0.000 1.087 208 H CA -0.644 55.292 56.048 -0.188 0.000 1.337 208 H CB 1.939 31.639 29.762 -0.104 0.000 1.440 208 H HN 0.670 nan 8.280 nan 0.000 0.490 209 V N 2.569 122.334 119.914 -0.249 0.000 2.850 209 V HA 0.930 5.050 4.120 -0.000 0.000 0.315 209 V C 0.402 176.267 176.094 -0.381 0.000 1.064 209 V CA 0.181 62.289 62.300 -0.321 0.000 0.979 209 V CB 1.192 32.612 31.823 -0.672 0.000 1.039 209 V HN 1.090 nan 8.190 nan 0.000 0.452 210 G N 1.402 110.064 108.800 -0.230 0.000 2.619 210 G HA2 0.415 4.375 3.960 -0.000 0.000 0.146 210 G HA3 0.415 4.375 3.960 -0.000 0.000 0.146 210 G C -1.037 173.802 174.900 -0.101 0.000 1.192 210 G CA -0.633 44.340 45.100 -0.212 0.000 1.063 210 G HN 0.791 nan 8.290 nan 0.000 0.538 211 E N 2.637 122.756 120.200 -0.135 0.000 2.820 211 E HA 0.101 4.451 4.350 -0.000 0.000 0.251 211 E C -1.274 175.339 176.600 0.022 0.000 0.944 211 E CA -0.172 56.166 56.400 -0.103 0.000 0.955 211 E CB 0.662 30.104 29.700 -0.430 0.000 0.904 211 E HN 0.203 nan 8.360 nan 0.000 0.513 212 P HA -0.282 nan 4.420 nan 0.000 0.230 212 P C -1.381 175.984 177.300 0.109 0.000 1.150 212 P CA 1.934 65.094 63.100 0.099 0.000 0.933 212 P CB -0.942 30.816 31.700 0.097 0.000 0.785 213 P HA -0.211 nan 4.420 nan 0.000 0.224 213 P C 0.576 177.930 177.300 0.091 0.000 1.130 213 P CA 2.693 65.877 63.100 0.141 0.000 0.976 213 P CB -0.740 31.099 31.700 0.232 0.000 0.781 214 A N -0.980 121.884 122.820 0.074 0.000 2.366 214 A HA 0.333 4.653 4.320 -0.000 0.000 0.322 214 A C -0.434 177.173 177.584 0.038 0.000 1.397 214 A CA -0.450 51.605 52.037 0.030 0.000 0.984 214 A CB -0.776 18.221 19.000 -0.004 0.000 1.149 214 A HN -0.016 nan 8.150 nan 0.000 0.540 215 L N 3.028 124.281 121.223 0.049 0.000 2.534 215 L HA -0.025 4.315 4.340 -0.000 0.000 0.271 215 L C 1.451 178.393 176.870 0.120 0.000 1.178 215 L CA 0.531 55.419 54.840 0.080 0.000 0.907 215 L CB -0.744 41.354 42.059 0.065 0.000 1.164 215 L HN 0.771 nan 8.230 nan 0.000 0.482 216 Y N 2.794 123.092 120.300 -0.005 0.000 2.030 216 Y HA -0.382 4.168 4.550 -0.000 0.000 0.272 216 Y C 1.997 177.887 175.900 -0.016 0.000 1.185 216 Y CA 2.260 60.354 58.100 -0.011 0.000 1.120 216 Y CB -0.141 38.318 38.460 -0.002 0.000 0.955 216 Y HN 0.779 nan 8.280 nan 0.000 0.495 217 D N -0.247 120.281 120.400 0.213 0.000 2.177 217 D HA -0.277 4.363 4.640 -0.000 0.000 0.189 217 D C 1.832 178.175 176.300 0.072 0.000 1.002 217 D CA 2.167 56.219 54.000 0.086 0.000 0.845 217 D CB -0.633 40.189 40.800 0.037 0.000 0.960 217 D HN 0.623 nan 8.370 nan 0.000 0.447 218 E N 1.491 121.725 120.200 0.057 0.000 2.171 218 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 218 E C 2.108 178.714 176.600 0.011 0.000 0.997 218 E CA 0.868 57.283 56.400 0.025 0.000 0.810 218 E CB -0.862 28.847 29.700 0.016 0.000 0.738 218 E HN 0.224 nan 8.360 nan 0.000 0.467 219 V N 0.929 120.858 119.914 0.025 0.000 2.323 219 V HA -0.166 3.953 4.120 -0.000 0.000 0.244 219 V C 2.469 178.560 176.094 -0.005 0.000 1.041 219 V CA 1.654 63.946 62.300 -0.012 0.000 1.025 219 V CB -0.520 31.279 31.823 -0.040 0.000 0.656 219 V HN 0.270 nan 8.190 nan 0.000 0.451 220 L N 0.664 121.914 121.223 0.044 0.000 2.129 220 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 220 L C 2.671 179.537 176.870 -0.007 0.000 1.087 220 L CA 2.174 57.031 54.840 0.028 0.000 0.757 220 L CB -0.749 41.348 42.059 0.063 0.000 0.896 220 L HN 0.603 nan 8.230 nan 0.000 0.434 221 E N 0.255 120.452 120.200 -0.005 0.000 2.150 221 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 221 E C 2.077 178.660 176.600 -0.028 0.000 0.985 221 E CA 0.999 57.389 56.400 -0.017 0.000 0.814 221 E CB -0.062 29.631 29.700 -0.011 0.000 0.752 221 E HN 0.392 nan 8.360 nan 0.000 0.466 222 I N 0.942 121.491 120.570 -0.035 0.000 2.333 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.246 222 I C 1.261 177.345 176.117 -0.055 0.000 1.106 222 I CA 0.286 61.558 61.300 -0.048 0.000 1.411 222 I CB -1.030 36.934 38.000 -0.060 0.000 1.082 222 I HN 0.138 nan 8.210 nan 0.000 0.420 223 L N 0.517 121.704 121.223 -0.060 0.000 2.483 223 L HA 0.278 4.617 4.340 -0.000 0.000 0.277 223 L C 0.835 177.665 176.870 -0.066 0.000 1.248 223 L CA 0.783 55.581 54.840 -0.071 0.000 0.825 223 L CB -0.225 41.786 42.059 -0.080 0.000 1.096 223 L HN 0.201 nan 8.230 nan 0.000 0.512 224 G N 0.076 108.832 108.800 -0.074 0.000 2.818 224 G HA2 0.670 4.629 3.960 -0.000 0.000 0.286 224 G HA3 0.670 4.629 3.960 -0.000 0.000 0.286 224 G C -2.968 171.880 174.900 -0.085 0.000 1.364 224 G CA -1.266 43.792 45.100 -0.070 0.000 0.938 224 G HN 0.396 nan 8.290 nan 0.000 0.490 225 P HA 0.259 nan 4.420 nan 0.000 0.266 225 P C 0.995 178.231 177.300 -0.106 0.000 1.195 225 P CA 1.792 64.833 63.100 -0.098 0.000 0.768 225 P CB 1.084 32.739 31.700 -0.074 0.000 0.838 226 G N 1.640 110.351 108.800 -0.148 0.000 2.268 226 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.240 226 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.240 226 G C -0.005 174.821 174.900 -0.124 0.000 1.010 226 G CA -0.187 44.835 45.100 -0.130 0.000 0.618 226 G HN 0.517 nan 8.290 nan 0.000 0.516 227 D N 0.389 120.712 120.400 -0.127 0.000 2.362 227 D HA 0.511 5.150 4.640 -0.000 0.000 0.242 227 D C 0.349 176.551 176.300 -0.163 0.000 1.132 227 D CA 0.157 54.085 54.000 -0.121 0.000 0.907 227 D CB 1.817 42.548 40.800 -0.115 0.000 1.195 227 D HN 0.267 nan 8.370 nan 0.000 0.429 228 V N 1.895 121.711 119.914 -0.165 0.000 2.487 228 V HA 0.257 4.376 4.120 -0.000 0.000 0.298 228 V C -0.036 175.931 176.094 -0.212 0.000 1.028 228 V CA -0.872 61.318 62.300 -0.185 0.000 0.860 228 V CB 2.043 33.779 31.823 -0.145 0.000 0.991 228 V HN 0.231 nan 8.190 nan 0.000 0.427 229 V N 3.904 123.707 119.914 -0.185 0.000 2.350 229 V HA 0.397 4.516 4.120 -0.000 0.000 0.276 229 V C 0.459 176.429 176.094 -0.207 0.000 1.028 229 V CA -0.032 62.148 62.300 -0.199 0.000 0.860 229 V CB 1.559 33.287 31.823 -0.159 0.000 0.990 229 V HN 0.941 nan 8.190 nan 0.000 0.453 230 T N 3.601 118.004 114.554 -0.252 0.000 2.929 230 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 230 T C 0.393 174.906 174.700 -0.312 0.000 1.014 230 T CA 0.006 61.944 62.100 -0.270 0.000 1.051 230 T CB 0.189 68.902 68.868 -0.258 0.000 1.028 230 T HN 0.931 nan 8.240 nan 0.000 0.485 231 H N 0.073 119.099 119.070 -0.073 0.000 3.132 231 H HA -0.192 4.364 4.556 -0.000 0.000 0.237 231 H C 1.915 177.190 175.328 -0.089 0.000 1.189 231 H CA 0.657 56.649 56.048 -0.094 0.000 1.129 231 H CB -2.539 27.115 29.762 -0.180 0.000 1.225 231 H HN 0.802 nan 8.280 nan 0.000 0.323 232 C N -0.487 118.787 119.300 -0.043 0.000 2.369 232 C HA -0.217 4.243 4.460 -0.000 0.000 0.273 232 C C 1.957 177.037 174.990 0.151 0.000 1.172 232 C CA 1.226 60.217 59.018 -0.045 0.000 1.791 232 C CB -1.572 25.958 27.740 -0.351 0.000 2.086 232 C HN 0.312 nan 8.230 nan 0.000 0.459 233 F N 4.090 124.122 119.950 0.136 0.000 2.986 233 F HA 0.331 4.858 4.527 -0.000 0.000 0.297 233 F C 0.878 176.636 175.800 -0.071 0.000 1.210 233 F CA -1.694 56.334 58.000 0.048 0.000 1.346 233 F CB -1.223 37.791 39.000 0.024 0.000 1.007 233 F HN 0.495 nan 8.300 nan 0.000 0.512 234 N N -0.205 118.589 118.700 0.156 0.000 2.530 234 N HA 0.148 4.888 4.740 -0.000 0.000 0.273 234 N C 0.814 176.317 175.510 -0.012 0.000 1.173 234 N CA 0.156 53.212 53.050 0.010 0.000 0.967 234 N CB 1.856 40.335 38.487 -0.012 0.000 1.109 234 N HN 0.300 nan 8.380 nan 0.000 0.453 235 G N 1.531 110.276 108.800 -0.092 0.000 3.959 235 G HA2 0.071 4.031 3.960 -0.000 0.000 0.298 235 G HA3 0.071 4.031 3.960 -0.000 0.000 0.298 235 G C 0.049 174.915 174.900 -0.056 0.000 1.211 235 G CA -0.434 44.616 45.100 -0.083 0.000 1.001 235 G HN 0.414 nan 8.290 nan 0.000 0.561 236 K N 0.595 120.973 120.400 -0.037 0.000 2.118 236 K HA 0.455 4.775 4.320 -0.000 0.000 0.254 236 K C 0.342 176.939 176.600 -0.005 0.000 0.961 236 K CA -0.471 55.799 56.287 -0.028 0.000 0.876 236 K CB 1.713 34.187 32.500 -0.044 0.000 1.077 236 K HN 0.107 nan 8.250 nan 0.000 0.440 237 S N -0.018 115.682 115.700 -0.000 0.000 2.566 237 S HA 0.197 4.667 4.470 -0.000 0.000 0.280 237 S C 1.378 175.994 174.600 0.026 0.000 1.343 237 S CA 0.690 58.897 58.200 0.011 0.000 1.036 237 S CB 0.265 63.472 63.200 0.013 0.000 0.866 237 S HN 0.842 nan 8.310 nan 0.000 0.526 238 G N 0.987 109.807 108.800 0.033 0.000 2.322 238 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 238 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 238 G C 0.770 175.714 174.900 0.073 0.000 0.992 238 G CA 1.079 46.208 45.100 0.048 0.000 0.624 238 G HN 1.328 nan 8.290 nan 0.000 0.543 239 S N -1.428 114.321 115.700 0.082 0.000 2.666 239 S HA 0.605 5.075 4.470 -0.000 0.000 0.239 239 S C 0.586 175.322 174.600 0.226 0.000 1.031 239 S CA 1.080 59.380 58.200 0.166 0.000 1.015 239 S CB 0.779 64.038 63.200 0.097 0.000 0.981 239 S HN 1.164 nan 8.310 nan 0.000 0.547 240 S N 3.246 119.009 115.700 0.105 0.000 2.548 240 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 240 S C 0.545 175.153 174.600 0.014 0.000 1.315 240 S CA -0.872 57.376 58.200 0.080 0.000 1.050 240 S CB 0.055 63.270 63.200 0.024 0.000 0.918 240 S HN 0.495 nan 8.310 nan 0.000 0.497 244 D N 1.124 121.509 120.400 -0.026 0.000 2.312 244 D HA 0.022 4.662 4.640 -0.000 0.000 0.229 244 D C 0.634 176.934 176.300 0.000 0.000 1.337 244 D CA -0.277 53.713 54.000 -0.016 0.000 0.964 244 D CB 1.349 42.136 40.800 -0.021 0.000 1.456 244 D HN 0.050 nan 8.370 nan 0.000 0.547 245 E N 2.292 122.492 120.200 0.000 0.000 2.147 245 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 245 E C 0.448 177.084 176.600 0.060 0.000 1.005 245 E CA 1.498 57.915 56.400 0.027 0.000 0.810 245 E CB 0.325 30.029 29.700 0.007 0.000 0.736 245 E HN 0.563 nan 8.360 nan 0.000 0.460 246 D N 0.628 121.043 120.400 0.024 0.000 2.123 246 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 246 D C 2.136 178.435 176.300 -0.002 0.000 0.992 246 D CA 0.686 54.693 54.000 0.013 0.000 0.833 246 D CB -0.504 40.295 40.800 -0.001 0.000 0.954 246 D HN 0.239 nan 8.370 nan 0.000 0.455 247 L N -0.486 120.723 121.223 -0.024 0.000 2.005 247 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 247 L C 2.308 179.129 176.870 -0.082 0.000 1.072 247 L CA 1.027 55.804 54.840 -0.104 0.000 0.744 247 L CB -0.257 41.687 42.059 -0.192 0.000 0.895 247 L HN -0.037 nan 8.230 nan 0.000 0.433 248 F N 1.119 120.992 119.950 -0.128 0.000 2.154 248 F HA -0.320 4.207 4.527 -0.000 0.000 0.301 248 F C 2.250 178.022 175.800 -0.046 0.000 1.087 248 F CA 2.172 60.124 58.000 -0.080 0.000 1.274 248 F CB -0.295 38.670 39.000 -0.058 0.000 1.009 248 F HN 0.244 nan 8.300 nan 0.000 0.485 249 N N 0.351 119.089 118.700 0.063 0.000 2.080 249 N HA -0.199 4.541 4.740 -0.000 0.000 0.189 249 N C 1.806 177.259 175.510 -0.095 0.000 1.036 249 N CA 1.583 54.631 53.050 -0.004 0.000 0.846 249 N CB -0.517 37.998 38.487 0.046 0.000 1.015 249 N HN 0.331 nan 8.380 nan 0.000 0.423 250 L N 0.452 121.627 121.223 -0.079 0.000 2.083 250 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 250 L C 2.107 178.905 176.870 -0.120 0.000 1.083 250 L CA 1.799 56.590 54.840 -0.082 0.000 0.752 250 L CB -1.112 40.910 42.059 -0.063 0.000 0.899 250 L HN 0.276 nan 8.230 nan 0.000 0.433 251 A N -0.671 122.037 122.820 -0.187 0.000 1.851 251 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 251 A C 2.279 179.725 177.584 -0.231 0.000 1.195 251 A CA 1.832 53.746 52.037 -0.205 0.000 0.622 251 A CB -0.816 18.020 19.000 -0.274 0.000 0.831 251 A HN 0.506 nan 8.150 nan 0.000 0.444 252 E N -0.244 119.732 120.200 -0.374 0.000 2.051 252 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 252 E C 2.125 178.637 176.600 -0.147 0.000 0.991 252 E CA 1.618 57.844 56.400 -0.290 0.000 0.799 252 E CB -0.259 29.222 29.700 -0.364 0.000 0.748 252 E HN 0.386 nan 8.360 nan 0.000 0.449 253 R N -0.363 120.062 120.500 -0.125 0.000 2.211 253 R HA -0.029 4.311 4.340 -0.000 0.000 0.240 253 R C -0.004 176.257 176.300 -0.065 0.000 1.144 253 R CA 0.920 56.976 56.100 -0.073 0.000 0.992 253 R CB -0.760 29.506 30.300 -0.057 0.000 0.869 253 R HN 0.243 nan 8.270 nan 0.000 0.462 258 G N 0.217 108.959 108.800 -0.097 0.000 4.142 258 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.131 258 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.131 258 G C -0.548 174.232 174.900 -0.200 0.000 2.153 258 G CA -0.364 44.661 45.100 -0.126 0.000 0.993 258 G HN 0.107 nan 8.290 nan 0.000 0.294 259 I N 3.987 124.459 120.570 -0.164 0.000 2.821 259 I HA 0.218 4.388 4.170 -0.000 0.000 0.294 259 I C 0.621 176.584 176.117 -0.258 0.000 1.210 259 I CA 0.139 61.328 61.300 -0.184 0.000 1.430 259 I CB 0.455 38.383 38.000 -0.119 0.000 1.356 259 I HN 0.149 nan 8.210 nan 0.000 0.563 260 R N 6.424 126.708 120.500 -0.361 0.000 2.357 260 R HA 0.491 4.831 4.340 -0.000 0.000 0.296 260 R C -0.914 175.267 176.300 -0.197 0.000 1.052 260 R CA -0.993 54.826 56.100 -0.468 0.000 0.988 260 R CB 0.506 30.352 30.300 -0.756 0.000 1.025 260 R HN 0.283 nan 8.270 nan 0.000 0.469 261 L N 2.225 123.398 121.223 -0.084 0.000 2.282 261 L HA 0.301 4.641 4.340 -0.000 0.000 0.288 261 L C -0.022 176.803 176.870 -0.076 0.000 1.033 261 L CA -0.315 54.459 54.840 -0.110 0.000 0.807 261 L CB 1.106 43.063 42.059 -0.169 0.000 1.209 261 L HN 0.547 nan 8.230 nan 0.000 0.423 262 D N 2.569 122.901 120.400 -0.114 0.000 2.342 262 D HA 0.387 5.027 4.640 -0.000 0.000 0.243 262 D C -0.681 175.548 176.300 -0.119 0.000 1.019 262 D CA -0.479 53.475 54.000 -0.075 0.000 0.864 262 D CB 1.435 42.212 40.800 -0.038 0.000 1.315 262 D HN 0.208 nan 8.370 nan 0.000 0.468 263 I N 3.581 124.100 120.570 -0.085 0.000 2.260 263 I HA 0.243 4.413 4.170 -0.000 0.000 0.297 263 I C 1.020 177.141 176.117 0.006 0.000 1.143 263 I CA -0.106 61.178 61.300 -0.026 0.000 1.271 263 I CB 0.161 38.151 38.000 -0.017 0.000 1.461 263 I HN 0.573 nan 8.210 nan 0.000 0.530 264 G N 5.208 114.043 108.800 0.058 0.000 3.213 264 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.263 264 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.263 264 G C 0.398 175.431 174.900 0.220 0.000 0.829 264 G CA -0.302 44.840 45.100 0.069 0.000 1.983 264 G HN 0.732 nan 8.290 nan 0.000 0.616 265 H N 1.363 120.414 119.070 -0.031 0.000 3.215 265 H HA 0.355 4.911 4.556 -0.000 0.000 0.253 265 H C 1.074 176.351 175.328 -0.085 0.000 1.102 265 H CA 0.033 56.053 56.048 -0.046 0.000 1.482 265 H CB 0.298 29.925 29.762 -0.224 0.000 1.542 265 H HN 0.381 nan 8.280 nan 0.000 0.498 266 G N 2.196 111.132 108.800 0.227 0.000 3.175 266 G HA2 0.239 4.199 3.960 -0.000 0.000 0.153 266 G HA3 0.239 4.199 3.960 -0.000 0.000 0.153 266 G C 1.063 176.055 174.900 0.152 0.000 1.216 266 G CA -0.191 44.990 45.100 0.134 0.000 0.943 266 G HN 0.594 nan 8.290 nan 0.000 0.611 267 G N -1.056 107.846 108.800 0.169 0.000 2.744 267 G HA2 0.399 4.359 3.960 -0.000 0.000 0.211 267 G HA3 0.399 4.359 3.960 -0.000 0.000 0.211 267 G C 0.659 175.619 174.900 0.099 0.000 1.143 267 G CA 1.510 46.710 45.100 0.167 0.000 0.788 267 G HN 1.494 nan 8.290 nan 0.000 0.534 268 A N -0.751 122.084 122.820 0.025 0.000 2.716 268 A HA 0.526 4.846 4.320 -0.000 0.000 0.197 268 A C 0.789 178.289 177.584 -0.139 0.000 1.118 268 A CA 0.355 52.365 52.037 -0.046 0.000 1.293 268 A CB -0.255 18.721 19.000 -0.040 0.000 1.198 268 A HN 0.050 nan 8.150 nan 0.000 0.506 269 S N -0.764 114.843 115.700 -0.154 0.000 2.666 269 S HA 0.373 4.842 4.470 -0.000 0.000 0.239 269 S C -0.370 174.184 174.600 -0.077 0.000 1.031 269 S CA -0.112 57.974 58.200 -0.189 0.000 1.015 269 S CB 0.088 63.047 63.200 -0.403 0.000 0.981 269 S HN 0.621 nan 8.310 nan 0.000 0.547 270 F N 2.394 122.124 119.950 -0.367 0.000 2.482 270 F HA 0.704 5.231 4.527 -0.000 0.000 0.331 270 F C -0.374 175.162 175.800 -0.441 0.000 1.115 270 F CA -0.687 57.039 58.000 -0.457 0.000 0.955 270 F CB 1.641 40.090 39.000 -0.918 0.000 1.136 270 F HN -0.095 nan 8.300 nan 0.000 0.452 271 S N 5.565 120.519 115.700 -1.244 0.000 2.561 271 S HA 0.407 4.877 4.470 -0.000 0.000 0.303 271 S C 0.468 174.420 174.600 -1.079 0.000 1.110 271 S CA -0.515 57.140 58.200 -0.909 0.000 1.034 271 S CB 0.492 63.439 63.200 -0.421 0.000 1.010 271 S HN 0.593 nan 8.310 nan 0.000 0.482 272 F N 3.803 123.408 119.950 -0.574 0.000 2.102 272 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 272 F C 2.843 178.494 175.800 -0.249 0.000 1.105 272 F CA 1.938 59.760 58.000 -0.297 0.000 1.239 272 F CB -0.947 38.012 39.000 -0.068 0.000 0.991 272 F HN 0.734 nan 8.300 nan 0.000 0.474 273 K N 0.336 120.729 120.400 -0.011 0.000 2.009 273 K HA -0.123 4.196 4.320 -0.000 0.000 0.210 273 K C 2.184 178.695 176.600 -0.149 0.000 1.049 273 K CA 2.010 58.257 56.287 -0.066 0.000 0.929 273 K CB -1.581 30.883 32.500 -0.061 0.000 0.714 273 K HN 0.159 nan 8.250 nan 0.000 0.440 274 V N 0.920 120.706 119.914 -0.212 0.000 2.407 274 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 274 V C 2.903 178.760 176.094 -0.395 0.000 1.055 274 V CA 1.883 64.034 62.300 -0.249 0.000 1.049 274 V CB -0.843 30.859 31.823 -0.201 0.000 0.662 274 V HN 0.713 nan 8.190 nan 0.000 0.455 275 A N 0.014 122.570 122.820 -0.439 0.000 1.851 275 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 275 A C 2.084 179.479 177.584 -0.315 0.000 1.195 275 A CA 2.073 53.828 52.037 -0.469 0.000 0.622 275 A CB -0.611 18.289 19.000 -0.166 0.000 0.831 275 A HN 0.630 nan 8.150 nan 0.000 0.444 276 E N -0.274 119.844 120.200 -0.137 0.000 2.037 276 E HA -0.251 4.099 4.350 -0.000 0.000 0.214 276 E C 2.315 178.834 176.600 -0.134 0.000 1.041 276 E CA 1.331 57.681 56.400 -0.082 0.000 0.872 276 E CB -0.530 29.138 29.700 -0.053 0.000 0.785 276 E HN 0.589 nan 8.360 nan 0.000 0.476 277 A N 1.276 123.997 122.820 -0.166 0.000 1.954 277 A HA -0.318 4.002 4.320 -0.000 0.000 0.222 277 A C 2.332 179.784 177.584 -0.221 0.000 1.199 277 A CA 2.696 54.614 52.037 -0.198 0.000 0.657 277 A CB -0.974 17.890 19.000 -0.227 0.000 0.823 277 A HN 0.376 nan 8.150 nan 0.000 0.463 278 A N -0.909 121.768 122.820 -0.237 0.000 1.835 278 A HA 0.107 4.427 4.320 -0.000 0.000 0.213 278 A C 2.151 179.749 177.584 0.022 0.000 1.210 278 A CA 1.193 53.206 52.037 -0.039 0.000 0.605 278 A CB -0.702 18.158 19.000 -0.234 0.000 0.860 278 A HN 0.627 nan 8.150 nan 0.000 0.447 279 I N -0.131 120.369 120.570 -0.116 0.000 2.423 279 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 279 I C 1.707 177.855 176.117 0.051 0.000 1.151 279 I CA 1.256 62.578 61.300 0.035 0.000 1.421 279 I CB 0.043 38.072 38.000 0.049 0.000 1.079 279 I HN 0.263 nan 8.210 nan 0.000 0.431 280 A N 0.530 123.353 122.820 0.006 0.000 2.988 280 A HA 0.291 4.611 4.320 -0.000 0.000 0.288 280 A C 1.381 178.972 177.584 0.011 0.000 1.385 280 A CA -0.266 51.777 52.037 0.011 0.000 1.001 280 A CB -0.445 18.546 19.000 -0.015 0.000 1.071 280 A HN 0.535 nan 8.150 nan 0.000 0.608 281 R N -1.697 118.840 120.500 0.061 0.000 2.320 281 R HA 0.242 4.582 4.340 -0.000 0.000 0.218 281 R C 0.917 177.318 176.300 0.169 0.000 0.694 281 R CA 0.973 57.124 56.100 0.086 0.000 0.936 281 R CB -0.121 30.197 30.300 0.030 0.000 1.574 281 R HN 0.920 nan 8.270 nan 0.000 0.463 282 G N 1.130 110.022 108.800 0.153 0.000 2.981 282 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.198 282 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.198 282 G C -0.633 174.360 174.900 0.154 0.000 1.806 282 G CA -0.074 45.111 45.100 0.143 0.000 1.374 282 G HN 0.068 nan 8.290 nan 0.000 0.555 283 L N 3.752 125.088 121.223 0.188 0.000 2.654 283 L HA 0.419 4.758 4.340 -0.000 0.000 0.271 283 L C 0.382 177.443 176.870 0.318 0.000 1.169 283 L CA 0.326 55.273 54.840 0.178 0.000 0.947 283 L CB -0.231 41.859 42.059 0.052 0.000 1.232 283 L HN 0.639 nan 8.230 nan 0.000 0.486 284 L N 6.575 127.966 121.223 0.279 0.000 2.319 284 L HA 0.746 5.086 4.340 -0.000 0.000 0.267 284 L C -2.660 174.374 176.870 0.274 0.000 1.011 284 L CA -2.142 52.898 54.840 0.333 0.000 0.818 284 L CB 0.533 42.713 42.059 0.201 0.000 1.316 284 L HN 0.335 nan 8.230 nan 0.000 0.432 285 P HA 0.014 nan 4.420 nan 0.000 0.267 285 P C 0.457 177.792 177.300 0.060 0.000 1.205 285 P CA 0.081 63.202 63.100 0.035 0.000 0.765 285 P CB 0.588 32.292 31.700 0.006 0.000 0.828 286 F N 3.100 123.004 119.950 -0.076 0.000 2.293 286 F HA -0.083 4.444 4.527 -0.000 0.000 0.300 286 F C 0.701 176.460 175.800 -0.069 0.000 1.086 286 F CA 1.184 59.149 58.000 -0.058 0.000 1.375 286 F CB 0.265 39.228 39.000 -0.061 0.000 1.045 286 F HN 0.427 nan 8.300 nan 0.000 0.516 287 S N -0.581 115.108 115.700 -0.018 0.000 2.537 287 S HA 0.488 4.957 4.470 -0.000 0.000 0.271 287 S C -1.009 173.527 174.600 -0.107 0.000 1.148 287 S CA -0.996 57.134 58.200 -0.117 0.000 0.868 287 S CB 0.985 64.171 63.200 -0.024 0.000 1.115 287 S HN 0.065 nan 8.310 nan 0.000 0.461 288 I N 2.348 122.812 120.570 -0.177 0.000 2.321 288 I HA 0.578 4.748 4.170 -0.000 0.000 0.291 288 I C 0.271 176.274 176.117 -0.190 0.000 0.998 288 I CA -0.196 60.985 61.300 -0.198 0.000 1.227 288 I CB 1.581 39.405 38.000 -0.294 0.000 1.368 288 I HN 0.726 nan 8.210 nan 0.000 0.466 289 S N 3.419 119.032 115.700 -0.144 0.000 2.667 289 S HA 0.718 5.187 4.470 -0.000 0.000 0.292 289 S C -0.535 173.980 174.600 -0.142 0.000 1.126 289 S CA -0.462 57.670 58.200 -0.113 0.000 0.881 289 S CB 1.952 65.135 63.200 -0.029 0.000 1.132 289 S HN 0.680 nan 8.310 nan 0.000 0.492 290 T N 0.361 114.830 114.554 -0.142 0.000 3.038 290 T HA 0.336 4.686 4.350 -0.000 0.000 0.344 290 T C -0.894 173.699 174.700 -0.178 0.000 1.054 290 T CA -0.669 61.325 62.100 -0.177 0.000 1.092 290 T CB 0.713 69.462 68.868 -0.198 0.000 1.031 290 T HN 0.439 nan 8.240 nan 0.000 0.482 291 D N 3.116 123.370 120.400 -0.242 0.000 2.606 291 D HA 0.056 4.696 4.640 -0.000 0.000 0.234 291 D C -0.170 176.097 176.300 -0.056 0.000 1.140 291 D CA -0.321 53.537 54.000 -0.237 0.000 1.182 291 D CB -0.387 40.310 40.800 -0.171 0.000 1.130 291 D HN 0.427 nan 8.370 nan 0.000 0.485 292 L N 5.285 126.485 121.223 -0.038 0.000 2.433 292 L HA 0.215 4.555 4.340 -0.000 0.000 0.284 292 L C 0.190 177.117 176.870 0.095 0.000 1.120 292 L CA 0.130 54.928 54.840 -0.070 0.000 0.879 292 L CB 0.008 42.032 42.059 -0.059 0.000 1.232 292 L HN 0.413 nan 8.230 nan 0.000 0.454 293 H N 1.019 120.171 119.070 0.137 0.000 2.908 293 H HA 0.406 4.962 4.556 -0.000 0.000 0.350 293 H C 0.830 176.201 175.328 0.072 0.000 1.217 293 H CA -0.639 55.485 56.048 0.127 0.000 1.168 293 H CB 0.943 30.753 29.762 0.081 0.000 1.891 293 H HN 0.389 nan 8.280 nan 0.000 0.566 294 G N -0.596 108.339 108.800 0.224 0.000 2.568 294 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 294 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 294 G C 0.610 175.705 174.900 0.326 0.000 1.104 294 G CA 0.923 46.117 45.100 0.157 0.000 0.738 294 G HN 0.837 nan 8.290 nan 0.000 0.574 295 H N -1.423 117.857 119.070 0.351 0.000 2.923 295 H HA 0.254 4.810 4.556 -0.000 0.000 0.268 295 H C 0.786 176.183 175.328 0.116 0.000 1.148 295 H CA -0.019 56.186 56.048 0.262 0.000 1.146 295 H CB 0.812 30.753 29.762 0.299 0.000 1.607 295 H HN 0.436 nan 8.280 nan 0.000 0.566 299 F N 2.541 122.645 119.950 0.257 0.000 2.102 299 F HA 0.563 5.090 4.527 -0.000 0.000 0.245 299 F C -1.286 174.367 175.800 -0.244 0.000 1.049 299 F CA 0.614 58.715 58.000 0.168 0.000 1.227 299 F CB -0.695 38.369 39.000 0.107 0.000 1.527 299 F HN -0.203 nan 8.300 nan 0.000 0.624 300 P HA 0.005 nan 4.420 nan 0.000 0.216 300 P C 0.244 177.048 177.300 -0.826 0.000 1.156 300 P CA 1.438 64.139 63.100 -0.665 0.000 0.855 300 P CB 0.561 32.206 31.700 -0.093 0.000 0.786 301 V N 1.310 120.803 119.914 -0.701 0.000 2.235 301 V HA 0.233 4.353 4.120 -0.000 0.000 0.266 301 V C 0.968 176.818 176.094 -0.407 0.000 1.055 301 V CA -0.839 60.979 62.300 -0.803 0.000 0.844 301 V CB -0.598 30.639 31.823 -0.976 0.000 1.097 301 V HN -0.009 nan 8.190 nan 0.000 0.453 302 W N 3.102 124.299 121.300 -0.172 0.000 2.333 302 W HA -0.015 4.645 4.660 -0.000 0.000 0.316 302 W C 0.702 177.154 176.519 -0.112 0.000 1.215 302 W CA 1.408 58.731 57.345 -0.037 0.000 1.278 302 W CB -0.449 29.127 29.460 0.193 0.000 1.154 302 W HN 0.825 nan 8.180 nan 0.000 0.486 303 D N -3.517 116.977 120.400 0.156 0.000 2.583 303 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 303 D C 0.471 176.748 176.300 -0.039 0.000 1.209 303 D CA -0.715 53.322 54.000 0.062 0.000 0.848 303 D CB 0.982 41.880 40.800 0.163 0.000 1.431 303 D HN -0.216 nan 8.370 nan 0.000 0.436 304 L N 1.113 122.301 121.223 -0.059 0.000 2.043 304 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 304 L C 2.035 178.737 176.870 -0.279 0.000 1.075 304 L CA 2.683 57.419 54.840 -0.173 0.000 0.752 304 L CB -1.105 40.873 42.059 -0.135 0.000 0.891 304 L HN 0.696 nan 8.230 nan 0.000 0.432 305 A N -1.506 121.227 122.820 -0.145 0.000 1.851 305 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 305 A C 2.272 179.797 177.584 -0.098 0.000 1.195 305 A CA 2.555 54.488 52.037 -0.173 0.000 0.622 305 A CB -1.389 17.714 19.000 0.172 0.000 0.831 305 A HN 0.511 nan 8.150 nan 0.000 0.444 306 T N 0.393 114.967 114.554 0.032 0.000 2.685 306 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 306 T C 1.217 175.888 174.700 -0.049 0.000 1.034 306 T CA 1.560 63.707 62.100 0.079 0.000 1.149 306 T CB -0.714 68.252 68.868 0.164 0.000 0.860 306 T HN 0.622 nan 8.240 nan 0.000 0.449 310 K N 1.051 121.533 120.400 0.137 0.000 2.097 310 K HA 0.188 4.508 4.320 -0.000 0.000 0.205 310 K C 1.154 177.912 176.600 0.263 0.000 1.050 310 K CA 1.378 57.822 56.287 0.261 0.000 0.938 310 K CB -0.176 32.391 32.500 0.112 0.000 0.718 310 K HN 0.384 nan 8.250 nan 0.000 0.442 311 L N 1.450 122.729 121.223 0.094 0.000 2.645 311 L HA 0.025 4.365 4.340 -0.000 0.000 0.235 311 L C 1.518 178.476 176.870 0.147 0.000 1.150 311 L CA -0.082 54.839 54.840 0.135 0.000 0.911 311 L CB 0.183 42.257 42.059 0.025 0.000 1.077 311 L HN 0.202 nan 8.230 nan 0.000 0.438 312 L N -1.307 120.023 121.223 0.178 0.000 2.685 312 L HA 0.132 4.472 4.340 -0.000 0.000 0.235 312 L C 2.151 179.120 176.870 0.166 0.000 1.070 312 L CA 1.053 56.007 54.840 0.191 0.000 0.888 312 L CB 0.013 42.236 42.059 0.273 0.000 1.203 312 L HN 0.289 nan 8.230 nan 0.000 0.499 313 S N -0.419 115.385 115.700 0.173 0.000 2.607 313 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 313 S C 1.349 176.013 174.600 0.107 0.000 0.969 313 S CA 0.746 59.020 58.200 0.123 0.000 0.927 313 S CB -0.500 62.765 63.200 0.108 0.000 0.772 313 S HN 0.313 nan 8.310 nan 0.000 0.533 314 V N -2.063 117.940 119.914 0.149 0.000 2.784 314 V HA 0.519 4.638 4.120 -0.000 0.000 0.231 314 V C 0.379 176.527 176.094 0.090 0.000 1.128 314 V CA 0.555 62.931 62.300 0.126 0.000 1.178 314 V CB -0.777 31.158 31.823 0.187 0.000 0.943 314 V HN 0.446 nan 8.190 nan 0.000 0.500 318 F N 2.170 122.183 119.950 0.105 0.000 2.063 318 F HA -0.350 4.177 4.527 -0.000 0.000 0.296 318 F C 2.412 178.289 175.800 0.129 0.000 1.093 318 F CA 2.835 60.916 58.000 0.136 0.000 1.229 318 F CB 0.140 39.205 39.000 0.109 0.000 0.971 318 F HN 0.662 nan 8.300 nan 0.000 0.491 319 E N 0.384 120.790 120.200 0.343 0.000 2.114 319 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 319 E C 1.677 178.320 176.600 0.072 0.000 1.008 319 E CA 2.270 58.801 56.400 0.218 0.000 0.810 319 E CB -0.462 29.355 29.700 0.196 0.000 0.739 319 E HN 0.591 nan 8.360 nan 0.000 0.456 320 N N -1.246 117.483 118.700 0.049 0.000 2.333 320 N HA -0.026 4.713 4.740 -0.000 0.000 0.178 320 N C 1.615 177.069 175.510 -0.093 0.000 1.018 320 N CA 0.926 53.968 53.050 -0.014 0.000 0.882 320 N CB 0.119 38.619 38.487 0.021 0.000 0.984 320 N HN -0.015 nan 8.380 nan 0.000 0.434 321 V N 0.278 120.129 119.914 -0.105 0.000 2.237 321 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 321 V C 2.101 177.967 176.094 -0.380 0.000 1.046 321 V CA 1.344 63.512 62.300 -0.220 0.000 1.007 321 V CB -0.564 31.159 31.823 -0.166 0.000 0.638 321 V HN 0.112 nan 8.190 nan 0.000 0.445 322 V N 0.063 119.732 119.914 -0.407 0.000 2.594 322 V HA -0.270 3.850 4.120 -0.000 0.000 0.253 322 V C 2.384 178.317 176.094 -0.269 0.000 1.069 322 V CA 2.209 64.257 62.300 -0.419 0.000 1.082 322 V CB -0.633 31.013 31.823 -0.295 0.000 0.680 322 V HN 0.691 nan 8.190 nan 0.000 0.469 323 E N 0.567 120.649 120.200 -0.197 0.000 2.158 323 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 323 E C 1.831 178.280 176.600 -0.252 0.000 0.982 323 E CA 0.843 57.140 56.400 -0.171 0.000 0.823 323 E CB -0.084 29.547 29.700 -0.116 0.000 0.766 323 E HN 0.566 nan 8.360 nan 0.000 0.468 324 A N 0.647 123.296 122.820 -0.285 0.000 2.346 324 A HA 0.187 4.507 4.320 -0.000 0.000 0.242 324 A C 0.930 178.316 177.584 -0.330 0.000 1.323 324 A CA 0.075 51.919 52.037 -0.322 0.000 0.940 324 A CB 0.293 19.134 19.000 -0.264 0.000 0.943 324 A HN 0.185 nan 8.150 nan 0.000 0.501 325 V N -1.405 118.299 119.914 -0.350 0.000 3.432 325 V HA 0.027 4.147 4.120 -0.000 0.000 0.290 325 V C 1.521 177.467 176.094 -0.246 0.000 1.591 325 V CA 1.234 63.297 62.300 -0.395 0.000 1.069 325 V CB 0.399 31.780 31.823 -0.738 0.000 0.892 325 V HN 0.755 nan 8.190 nan 0.000 0.436 326 T N -3.036 111.401 114.554 -0.194 0.000 3.413 326 T HA 0.191 4.541 4.350 -0.000 0.000 0.187 326 T C 1.741 176.366 174.700 -0.125 0.000 0.961 326 T CA -0.077 61.954 62.100 -0.114 0.000 1.085 326 T CB 0.314 69.130 68.868 -0.087 0.000 1.345 326 T HN -0.002 nan 8.240 nan 0.000 0.326 327 R N 2.137 122.553 120.500 -0.139 0.000 2.109 327 R HA 0.026 4.366 4.340 -0.000 0.000 0.227 327 R C 2.360 178.570 176.300 -0.149 0.000 1.132 327 R CA 1.760 57.785 56.100 -0.125 0.000 0.907 327 R CB -1.485 28.748 30.300 -0.111 0.000 0.825 327 R HN 0.513 nan 8.270 nan 0.000 0.432 328 N N 0.670 119.200 118.700 -0.283 0.000 2.049 328 N HA -0.159 4.580 4.740 -0.000 0.000 0.198 328 N C -0.940 174.440 175.510 -0.215 0.000 1.030 328 N CA 1.967 54.702 53.050 -0.525 0.000 0.870 328 N CB -1.518 36.291 38.487 -1.130 0.000 1.045 328 N HN 0.288 nan 8.380 nan 0.000 0.434 329 P HA -0.007 nan 4.420 nan 0.000 0.219 329 P C 1.037 178.357 177.300 0.033 0.000 1.150 329 P CA 1.347 64.453 63.100 0.009 0.000 0.814 329 P CB -0.011 31.663 31.700 -0.044 0.000 0.787 330 A N 1.172 123.982 122.820 -0.017 0.000 1.972 330 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 330 A C 2.409 180.003 177.584 0.017 0.000 1.169 330 A CA 2.158 54.188 52.037 -0.013 0.000 0.635 330 A CB -1.510 17.465 19.000 -0.040 0.000 0.810 330 A HN 0.397 nan 8.150 nan 0.000 0.446 331 S N -0.671 115.060 115.700 0.052 0.000 2.515 331 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 331 S C 1.529 176.193 174.600 0.107 0.000 0.987 331 S CA 1.109 59.362 58.200 0.088 0.000 0.936 331 S CB -0.396 62.890 63.200 0.144 0.000 0.766 331 S HN 0.239 nan 8.310 nan 0.000 0.528 332 V N 2.505 122.499 119.914 0.133 0.000 2.446 332 V HA 0.116 4.236 4.120 -0.000 0.000 0.244 332 V C 2.182 178.297 176.094 0.035 0.000 1.039 332 V CA 1.387 63.758 62.300 0.119 0.000 1.045 332 V CB -0.695 31.247 31.823 0.197 0.000 0.681 332 V HN 0.775 nan 8.190 nan 0.000 0.459 333 I N -2.053 118.514 120.570 -0.004 0.000 3.812 333 I HA 0.300 4.470 4.170 -0.000 0.000 0.320 333 I C 0.430 176.518 176.117 -0.048 0.000 1.276 333 I CA -0.232 61.020 61.300 -0.080 0.000 1.164 333 I CB -0.362 37.579 38.000 -0.098 0.000 1.009 333 I HN 0.187 nan 8.210 nan 0.000 0.431 334 R N 0.930 121.420 120.500 -0.016 0.000 3.152 334 R HA -0.158 4.182 4.340 -0.000 0.000 0.252 334 R C -0.699 175.589 176.300 -0.020 0.000 0.930 334 R CA 0.298 56.391 56.100 -0.012 0.000 0.642 334 R CB -2.037 28.254 30.300 -0.015 0.000 1.205 334 R HN 0.507 nan 8.270 nan 0.000 0.452 335 L N 0.030 121.242 121.223 -0.018 0.000 2.271 335 L HA 0.610 4.950 4.340 -0.000 0.000 0.265 335 L C -0.146 176.708 176.870 -0.028 0.000 1.013 335 L CA -0.321 54.503 54.840 -0.027 0.000 0.820 335 L CB 2.020 44.060 42.059 -0.032 0.000 1.352 335 L HN 0.162 nan 8.230 nan 0.000 0.443 348 D N -0.295 119.871 120.400 -0.390 0.000 2.478 348 D HA 0.613 5.253 4.640 -0.000 0.000 0.240 348 D C -1.753 174.153 176.300 -0.658 0.000 1.364 348 D CA 0.099 53.893 54.000 -0.343 0.000 0.987 348 D CB 0.803 41.457 40.800 -0.244 0.000 1.328 348 D HN 0.079 nan 8.370 nan 0.000 0.584 349 F N 0.293 120.270 119.950 0.045 0.000 2.640 349 F HA 0.568 5.095 4.527 -0.000 0.000 0.324 349 F C 0.406 176.204 175.800 -0.003 0.000 1.077 349 F CA -0.617 57.420 58.000 0.063 0.000 0.965 349 F CB 2.538 41.602 39.000 0.106 0.000 1.351 349 F HN -0.086 nan 8.300 nan 0.000 0.487 350 T N 1.651 116.327 114.554 0.203 0.000 3.187 350 T HA 0.438 4.788 4.350 -0.000 0.000 0.328 350 T C -1.319 173.475 174.700 0.156 0.000 0.951 350 T CA -0.665 61.393 62.100 -0.071 0.000 1.049 350 T CB 0.871 69.370 68.868 -0.615 0.000 1.015 350 T HN 0.543 nan 8.240 nan 0.000 0.461 351 V N 2.376 122.414 119.914 0.207 0.000 2.407 351 V HA 0.969 5.089 4.120 -0.000 0.000 0.278 351 V C -0.489 175.841 176.094 0.393 0.000 1.037 351 V CA -0.833 61.654 62.300 0.312 0.000 0.900 351 V CB 0.020 31.980 31.823 0.228 0.000 0.983 351 V HN 0.743 nan 8.190 nan 0.000 0.459 352 F N 1.041 121.160 119.950 0.281 0.000 2.650 352 F HA 0.924 5.451 4.527 -0.000 0.000 0.320 352 F C -0.934 175.164 175.800 0.497 0.000 1.091 352 F CA -1.090 57.115 58.000 0.343 0.000 0.962 352 F CB 2.190 41.467 39.000 0.461 0.000 1.363 352 F HN 0.509 nan 8.300 nan 0.000 0.482 353 D N 1.628 122.322 120.400 0.490 0.000 2.375 353 D HA 0.266 4.906 4.640 -0.000 0.000 0.241 353 D C -1.456 175.043 176.300 0.332 0.000 1.361 353 D CA -0.140 54.114 54.000 0.424 0.000 0.995 353 D CB 1.395 42.346 40.800 0.253 0.000 1.312 353 D HN 0.823 nan 8.370 nan 0.000 0.576 354 L N 3.746 125.138 121.223 0.281 0.000 2.584 354 L HA 0.178 4.517 4.340 -0.000 0.000 0.272 354 L C 0.624 177.557 176.870 0.105 0.000 1.195 354 L CA 0.248 55.132 54.840 0.074 0.000 0.920 354 L CB 0.218 42.238 42.059 -0.065 0.000 1.173 354 L HN 0.387 nan 8.230 nan 0.000 0.489 355 V N 1.189 121.153 119.914 0.083 0.000 3.770 355 V HA 0.649 4.769 4.120 -0.000 0.000 0.288 355 V C -0.573 175.552 176.094 0.052 0.000 1.291 355 V CA -0.813 61.531 62.300 0.072 0.000 0.948 355 V CB 1.689 33.561 31.823 0.082 0.000 1.269 355 V HN 0.561 nan 8.190 nan 0.000 0.469 356 D N -0.066 120.363 120.400 0.048 0.000 2.350 356 D HA 0.933 5.573 4.640 -0.000 0.000 0.238 356 D C -0.118 176.209 176.300 0.045 0.000 0.989 356 D CA 0.776 54.800 54.000 0.040 0.000 0.921 356 D CB 1.654 42.472 40.800 0.030 0.000 1.297 356 D HN 1.315 nan 8.370 nan 0.000 0.490 374 L N -1.762 119.504 121.223 0.072 0.000 2.465 374 L HA 0.761 5.101 4.340 -0.000 0.000 0.257 374 L C -1.182 175.774 176.870 0.145 0.000 0.988 374 L CA -1.300 53.627 54.840 0.144 0.000 0.827 374 L CB 1.645 43.817 42.059 0.188 0.000 1.397 374 L HN 0.396 nan 8.230 nan 0.000 0.410 375 F N 0.580 120.630 119.950 0.168 0.000 2.450 375 F HA 0.440 4.966 4.527 -0.000 0.000 0.339 375 F C 0.602 176.566 175.800 0.274 0.000 1.146 375 F CA 0.245 58.395 58.000 0.250 0.000 1.267 375 F CB 0.678 39.763 39.000 0.142 0.000 1.178 375 F HN 0.446 nan 8.300 nan 0.000 0.585 376 E N 3.121 123.648 120.200 0.544 0.000 2.373 376 E HA 0.217 4.567 4.350 -0.000 0.000 0.251 376 E C -2.713 174.121 176.600 0.390 0.000 0.923 376 E CA -2.138 54.490 56.400 0.381 0.000 0.798 376 E CB 1.400 31.258 29.700 0.265 0.000 1.303 376 E HN 0.197 nan 8.360 nan 0.000 0.412 377 P HA 0.149 nan 4.420 nan 0.000 0.268 377 P C 0.339 177.680 177.300 0.069 0.000 1.204 377 P CA -0.218 62.955 63.100 0.123 0.000 0.768 377 P CB 1.654 33.379 31.700 0.042 0.000 0.842 378 R N 2.162 122.697 120.500 0.058 0.000 2.125 378 R HA 0.219 4.559 4.340 -0.000 0.000 0.195 378 R C 0.233 176.365 176.300 -0.280 0.000 1.138 378 R CA 0.981 57.064 56.100 -0.027 0.000 1.123 378 R CB -0.070 30.350 30.300 0.200 0.000 1.049 378 R HN 0.518 nan 8.270 nan 0.000 0.503 379 Y N -0.995 119.313 120.300 0.013 0.000 2.553 379 Y HA 0.632 5.182 4.550 -0.000 0.000 0.347 379 Y C -0.686 175.203 175.900 -0.018 0.000 1.019 379 Y CA -1.235 56.868 58.100 0.005 0.000 1.032 379 Y CB 2.171 40.642 38.460 0.018 0.000 1.284 379 Y HN 0.061 nan 8.280 nan 0.000 0.466 380 A N 1.460 124.378 122.820 0.163 0.000 2.343 380 A HA 0.801 5.121 4.320 -0.000 0.000 0.308 380 A C -1.794 175.875 177.584 0.141 0.000 1.092 380 A CA -0.673 51.417 52.037 0.089 0.000 0.751 380 A CB 0.882 19.898 19.000 0.026 0.000 1.203 380 A HN 0.473 nan 8.150 nan 0.000 0.452 381 V N 4.540 124.552 119.914 0.163 0.000 2.380 381 V HA 0.310 4.430 4.120 -0.000 0.000 0.286 381 V C -0.772 175.410 176.094 0.147 0.000 1.015 381 V CA -0.304 62.104 62.300 0.180 0.000 0.834 381 V CB 1.161 33.141 31.823 0.262 0.000 1.009 381 V HN 0.725 nan 8.190 nan 0.000 0.428 382 I N 4.226 124.851 120.570 0.092 0.000 2.479 382 I HA 0.436 4.606 4.170 -0.000 0.000 0.279 382 I C 1.057 177.208 176.117 0.056 0.000 1.102 382 I CA -0.178 61.155 61.300 0.055 0.000 1.196 382 I CB 0.404 38.422 38.000 0.031 0.000 1.427 382 I HN 0.854 nan 8.210 nan 0.000 0.503 383 G N 5.340 114.184 108.800 0.073 0.000 2.349 383 G HA2 0.041 4.001 3.960 -0.000 0.000 0.223 383 G HA3 0.041 4.001 3.960 -0.000 0.000 0.223 383 G C 0.924 175.858 174.900 0.057 0.000 0.736 383 G CA 0.355 45.494 45.100 0.065 0.000 1.073 383 G HN 1.541 nan 8.290 nan 0.000 0.308 384 A N 0.892 123.751 122.820 0.064 0.000 2.798 384 A HA -0.172 4.148 4.320 -0.000 0.000 0.282 384 A C 0.657 178.267 177.584 0.043 0.000 1.464 384 A CA 2.597 54.661 52.037 0.044 0.000 0.844 384 A CB -1.268 17.752 19.000 0.032 0.000 1.006 384 A HN 1.930 nan 8.150 nan 0.000 0.577 385 E N -0.928 119.306 120.200 0.057 0.000 2.373 385 E HA 0.577 4.927 4.350 -0.000 0.000 0.251 385 E C -0.444 176.204 176.600 0.079 0.000 0.923 385 E CA 0.224 56.658 56.400 0.057 0.000 0.798 385 E CB 1.165 30.893 29.700 0.047 0.000 1.303 385 E HN 1.026 nan 8.360 nan 0.000 0.412 386 A N 4.753 127.627 122.820 0.090 0.000 2.260 386 A HA 0.599 4.919 4.320 -0.000 0.000 0.314 386 A C -0.771 176.915 177.584 0.170 0.000 1.257 386 A CA -0.511 51.615 52.037 0.147 0.000 0.871 386 A CB 0.283 19.362 19.000 0.131 0.000 1.166 386 A HN 0.490 nan 8.150 nan 0.000 0.522 387 I N 1.722 122.386 120.570 0.157 0.000 2.493 387 I HA 0.465 4.635 4.170 -0.000 0.000 0.298 387 I C 0.851 176.977 176.117 0.014 0.000 0.998 387 I CA -0.288 61.061 61.300 0.082 0.000 1.137 387 I CB 1.993 40.018 38.000 0.041 0.000 1.310 387 I HN 0.669 nan 8.210 nan 0.000 0.445 388 A N 5.292 128.074 122.820 -0.063 0.000 2.785 388 A HA 0.614 4.934 4.320 -0.000 0.000 0.294 388 A C 0.674 178.148 177.584 -0.183 0.000 1.597 388 A CA -0.271 51.624 52.037 -0.236 0.000 1.283 388 A CB -1.059 17.846 19.000 -0.159 0.000 1.088 388 A HN 0.822 nan 8.150 nan 0.000 0.568 389 A N 2.632 125.329 122.820 -0.205 0.000 2.425 389 A HA 0.600 4.920 4.320 -0.000 0.000 0.242 389 A C 0.635 178.166 177.584 -0.088 0.000 1.077 389 A CA 0.503 52.475 52.037 -0.108 0.000 0.781 389 A CB -0.010 18.933 19.000 -0.096 0.000 1.020 389 A HN 1.944 nan 8.150 nan 0.000 0.494 390 S N 1.020 116.709 115.700 -0.018 0.000 2.586 390 S HA 0.457 4.927 4.470 -0.000 0.000 0.296 390 S C -0.465 174.169 174.600 0.056 0.000 1.120 390 S CA -1.060 57.144 58.200 0.008 0.000 0.927 390 S CB 0.636 63.824 63.200 -0.020 0.000 1.114 390 S HN 1.127 nan 8.310 nan 0.000 0.453 391 R N 1.222 121.773 120.500 0.085 0.000 2.861 391 R HA 0.211 4.551 4.340 -0.000 0.000 0.268 391 R C -0.289 176.075 176.300 0.107 0.000 1.027 391 R CA -0.436 55.739 56.100 0.123 0.000 1.163 391 R CB 0.049 30.432 30.300 0.138 0.000 1.060 391 R HN 0.689 nan 8.270 nan 0.000 0.483 392 Y N 1.105 121.405 120.300 0.000 0.000 2.426 392 Y HA 0.177 4.727 4.550 -0.000 0.000 0.344 392 Y C 0.118 175.903 175.900 -0.191 0.000 1.256 392 Y CA -0.360 57.709 58.100 -0.052 0.000 1.451 392 Y CB 0.417 38.887 38.460 0.017 0.000 1.342 392 Y HN 0.574 nan 8.280 nan 0.000 0.600 393 I N 0.000 119.944 120.570 -1.044 0.000 2.984 393 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 393 I CA 0.000 60.763 61.300 -0.895 0.000 1.566 393 I CB 0.000 37.698 38.000 -0.503 0.000 1.214 393 I HN 0.000 nan 8.210 nan 0.000 0.494