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 2h8z_1_A DATA FIRST_RESID 2 DATA SEQUENCE SALFEPYTLK DVTLRNRIAI PPMCQYMAED GMINDWHHVH LAGLARGGAG DATA SEQUENCE LLVVEATAVA PEGRITPGCA GIWSDAHAQA FVPVVQAIKA AGSVPGIQIA DATA SEQUENCE HAGRKASANR PWEGDDHIAA DDTRGWETIA PSAIAFGAHL PKVPREMTLD DATA SEQUENCE DIARVKQDFV DAARRARDAG FEWIELHFAH GYLGQSFFSE HSNKRTDAYG DATA SEQUENCE GSFDNRSRFL LETLAAVREV WPENLPLTAR FGVLEYDGRD EQTLEESIEL DATA SEQUENCE ARRFKAGGLD LLSVSVGFTI PDTNIPWGPA FMGPIAERVR REAKLPVTSA DATA SEQUENCE WGFGTPQLAE AALQANQLDL VSVGRAHLAD PHWAYFAAKE LGVEKASWTL DATA SEQUENCE PAPYAHWLE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.679 174.600 0.132 0.000 1.055 2 S CA 0.000 58.275 58.200 0.126 0.000 1.107 2 S CB 0.000 63.307 63.200 0.178 0.000 0.593 3 A N 0.713 123.586 122.820 0.088 0.000 1.969 3 A HA 0.126 4.447 4.320 0.002 0.000 0.218 3 A C 1.944 179.541 177.584 0.022 0.000 1.169 3 A CA 1.542 53.613 52.037 0.058 0.000 0.635 3 A CB -0.822 18.202 19.000 0.039 0.000 0.810 3 A HN 1.219 nan 8.150 nan 0.000 0.445 4 L N -1.761 119.460 121.223 -0.003 0.000 2.191 4 L HA -0.008 4.334 4.340 0.002 0.000 0.212 4 L C 1.057 177.684 176.870 -0.404 0.000 1.103 4 L CA 1.670 56.397 54.840 -0.189 0.000 0.769 4 L CB -0.481 41.445 42.059 -0.222 0.000 0.908 4 L HN 0.354 nan 8.230 nan 0.000 0.438 5 F N -0.455 119.520 119.950 0.040 0.000 2.684 5 F HA 0.271 4.799 4.527 0.002 0.000 0.298 5 F C 0.756 176.587 175.800 0.052 0.000 1.120 5 F CA -0.608 57.420 58.000 0.046 0.000 1.332 5 F CB -0.107 38.913 39.000 0.032 0.000 0.986 5 F HN 0.021 nan 8.300 nan 0.000 0.524 6 E N 3.139 123.417 120.200 0.130 0.000 2.249 6 E HA 0.189 4.540 4.350 0.002 0.000 0.280 6 E C -2.202 174.468 176.600 0.117 0.000 1.016 6 E CA -2.079 54.393 56.400 0.121 0.000 0.830 6 E CB 0.749 30.508 29.700 0.098 0.000 1.081 6 E HN -0.053 nan 8.360 nan 0.000 0.395 7 P HA -0.044 nan 4.420 nan 0.000 0.271 7 P C -1.187 176.238 177.300 0.208 0.000 1.244 7 P CA 0.072 63.256 63.100 0.141 0.000 0.793 7 P CB 0.521 32.286 31.700 0.108 0.000 0.984 8 Y N -0.624 119.708 120.300 0.053 0.000 2.396 8 Y HA 0.384 4.935 4.550 0.002 0.000 0.332 8 Y C -1.084 174.868 175.900 0.087 0.000 1.034 8 Y CA -0.357 57.782 58.100 0.066 0.000 1.057 8 Y CB 1.520 40.020 38.460 0.067 0.000 1.220 8 Y HN 0.180 nan 8.280 nan 0.000 0.440 9 T N 7.395 121.699 114.554 -0.416 0.000 2.797 9 T HA 0.612 4.963 4.350 0.002 0.000 0.279 9 T C -1.775 172.590 174.700 -0.559 0.000 0.991 9 T CA -0.462 61.436 62.100 -0.337 0.000 0.979 9 T CB 1.094 69.872 68.868 -0.151 0.000 0.943 9 T HN 0.501 nan 8.240 nan 0.000 0.444 10 L N 4.605 125.638 121.223 -0.317 0.000 2.439 10 L HA 0.537 4.878 4.340 0.002 0.000 0.270 10 L C -0.015 176.804 176.870 -0.085 0.000 0.972 10 L CA -0.272 54.436 54.840 -0.221 0.000 0.836 10 L CB 0.844 42.837 42.059 -0.110 0.000 1.255 10 L HN 0.487 nan 8.230 nan 0.000 0.404 11 K N 2.206 122.559 120.400 -0.078 0.000 1.882 11 K HA -0.255 4.066 4.320 0.002 0.000 0.199 11 K C 0.059 176.638 176.600 -0.036 0.000 1.562 11 K CA 1.751 58.009 56.287 -0.048 0.000 0.515 11 K CB -0.840 31.637 32.500 -0.037 0.000 0.682 11 K HN 0.759 nan 8.250 nan 0.000 0.843 12 D N 0.945 121.333 120.400 -0.020 0.000 2.328 12 D HA 0.163 4.804 4.640 0.002 0.000 0.221 12 D C -0.183 176.125 176.300 0.014 0.000 1.072 12 D CA 0.243 54.236 54.000 -0.012 0.000 0.850 12 D CB 0.242 41.029 40.800 -0.021 0.000 0.922 12 D HN 0.102 nan 8.370 nan 0.000 0.516 13 V N 0.524 120.464 119.914 0.042 0.000 2.472 13 V HA 0.374 4.495 4.120 0.002 0.000 0.290 13 V C 0.435 176.575 176.094 0.078 0.000 1.037 13 V CA -0.352 62.005 62.300 0.095 0.000 0.908 13 V CB 2.010 33.958 31.823 0.208 0.000 0.985 13 V HN -0.106 nan 8.190 nan 0.000 0.454 14 T N 6.239 120.839 114.554 0.076 0.000 2.809 14 T HA 0.574 4.926 4.350 0.002 0.000 0.284 14 T C -0.404 174.353 174.700 0.095 0.000 0.992 14 T CA -0.328 61.811 62.100 0.065 0.000 0.957 14 T CB 0.795 69.688 68.868 0.041 0.000 0.942 14 T HN 0.351 nan 8.240 nan 0.000 0.439 15 L N 3.917 125.219 121.223 0.130 0.000 2.312 15 L HA 0.477 4.819 4.340 0.002 0.000 0.281 15 L C 2.020 178.955 176.870 0.109 0.000 1.070 15 L CA -0.895 54.013 54.840 0.114 0.000 0.805 15 L CB 1.159 43.300 42.059 0.136 0.000 1.174 15 L HN 0.707 nan 8.230 nan 0.000 0.434 16 R N 1.319 121.872 120.500 0.088 0.000 2.237 16 R HA -0.039 4.303 4.340 0.002 0.000 0.219 16 R C -0.160 176.214 176.300 0.123 0.000 1.080 16 R CA 0.862 57.025 56.100 0.105 0.000 0.995 16 R CB -0.396 29.968 30.300 0.107 0.000 0.875 16 R HN 0.860 nan 8.270 nan 0.000 0.462 17 N N -1.542 117.209 118.700 0.086 0.000 3.277 17 N HA 0.186 4.928 4.740 0.002 0.000 0.278 17 N C -0.638 174.853 175.510 -0.033 0.000 1.544 17 N CA -1.126 51.939 53.050 0.025 0.000 0.869 17 N CB 0.589 39.053 38.487 -0.038 0.000 1.584 17 N HN -0.263 nan 8.380 nan 0.000 0.564 18 R N -0.213 120.213 120.500 -0.124 0.000 2.356 18 R HA 0.400 4.741 4.340 0.002 0.000 0.234 18 R C -0.234 175.975 176.300 -0.152 0.000 0.929 18 R CA -0.182 55.832 56.100 -0.144 0.000 1.084 18 R CB -1.007 29.198 30.300 -0.158 0.000 1.105 18 R HN 0.633 nan 8.270 nan 0.000 0.515 19 I N 1.438 121.933 120.570 -0.125 0.000 2.352 19 I HA 0.236 4.408 4.170 0.002 0.000 0.290 19 I C 0.198 176.274 176.117 -0.067 0.000 1.036 19 I CA -0.484 60.794 61.300 -0.037 0.000 1.336 19 I CB 1.275 39.335 38.000 0.100 0.000 1.407 19 I HN -0.075 nan 8.210 nan 0.000 0.497 20 A N 7.814 130.573 122.820 -0.101 0.000 2.342 20 A HA 0.758 5.079 4.320 0.002 0.000 0.323 20 A C -0.549 176.949 177.584 -0.144 0.000 1.125 20 A CA -0.561 51.377 52.037 -0.165 0.000 0.785 20 A CB 0.868 19.745 19.000 -0.206 0.000 1.221 20 A HN 0.684 nan 8.150 nan 0.000 0.463 21 I N 4.574 125.025 120.570 -0.198 0.000 2.297 21 I HA 0.279 4.451 4.170 0.002 0.000 0.291 21 I C -1.907 174.143 176.117 -0.113 0.000 1.033 21 I CA -1.959 59.221 61.300 -0.201 0.000 1.253 21 I CB 1.723 39.525 38.000 -0.330 0.000 1.396 21 I HN 0.499 nan 8.210 nan 0.000 0.476 22 P HA 0.172 nan 4.420 nan 0.000 0.272 22 P C -2.593 174.726 177.300 0.032 0.000 1.230 22 P CA -1.581 61.522 63.100 0.005 0.000 0.788 22 P CB -0.162 31.578 31.700 0.067 0.000 0.949 23 P HA 0.111 nan 4.420 nan 0.000 0.264 23 P C -0.487 176.879 177.300 0.109 0.000 1.193 23 P CA 0.812 63.944 63.100 0.052 0.000 0.763 23 P CB 0.244 31.944 31.700 0.000 0.000 0.810 24 M N 2.884 122.566 119.600 0.136 0.000 2.098 24 M HA 0.178 4.659 4.480 0.002 0.000 0.265 24 M C -0.429 175.947 176.300 0.127 0.000 0.940 24 M CA -0.555 54.841 55.300 0.160 0.000 1.007 24 M CB 1.480 34.196 32.600 0.193 0.000 1.823 24 M HN 0.260 nan 8.290 nan 0.000 0.453 25 C N 2.839 122.158 119.300 0.030 0.000 2.563 25 C HA -0.023 4.438 4.460 0.002 0.000 0.411 25 C C 1.658 176.524 174.990 -0.206 0.000 1.386 25 C CA 0.241 59.126 59.018 -0.221 0.000 1.703 25 C CB 0.062 27.434 27.740 -0.613 0.000 2.596 25 C HN 0.746 nan 8.230 nan 0.000 0.605 26 Q N 0.874 120.585 119.800 -0.148 0.000 2.350 26 Q HA 0.091 4.433 4.340 0.002 0.000 0.225 26 Q C 0.276 176.386 176.000 0.183 0.000 0.878 26 Q CA 0.148 55.986 55.803 0.059 0.000 0.935 26 Q CB 0.040 28.826 28.738 0.080 0.000 1.099 26 Q HN 0.927 nan 8.270 nan 0.000 0.527 27 Y N -0.678 119.712 120.300 0.150 0.000 3.825 27 Y HA -0.240 4.312 4.550 0.002 0.000 0.221 27 Y C 0.991 176.939 175.900 0.080 0.000 1.195 27 Y CA 0.666 58.813 58.100 0.078 0.000 1.699 27 Y CB -1.883 36.517 38.460 -0.102 0.000 1.531 27 Y HN 0.149 nan 8.280 nan 0.000 0.640 28 M N -1.228 118.471 119.600 0.165 0.000 2.347 28 M HA 0.432 4.914 4.480 0.002 0.000 0.302 28 M C 1.183 177.659 176.300 0.292 0.000 1.051 28 M CA 0.358 55.704 55.300 0.078 0.000 0.988 28 M CB 0.073 32.471 32.600 -0.337 0.000 1.475 28 M HN 0.279 nan 8.290 nan 0.000 0.530 29 A N 1.193 124.211 122.820 0.330 0.000 2.304 29 A HA 0.484 4.806 4.320 0.002 0.000 0.271 29 A C -0.245 177.426 177.584 0.144 0.000 1.091 29 A CA -0.156 52.008 52.037 0.212 0.000 0.812 29 A CB 0.574 19.620 19.000 0.076 0.000 1.056 29 A HN 0.401 nan 8.150 nan 0.000 0.489 30 E N 0.725 120.980 120.200 0.093 0.000 2.185 30 E HA 0.341 4.692 4.350 0.002 0.000 0.261 30 E C -1.363 175.292 176.600 0.092 0.000 0.879 30 E CA -0.696 55.759 56.400 0.091 0.000 0.756 30 E CB 1.074 30.814 29.700 0.068 0.000 1.152 30 E HN 0.610 nan 8.360 nan 0.000 0.416 31 D N 2.660 123.152 120.400 0.153 0.000 2.751 31 D HA -0.222 4.420 4.640 0.002 0.000 0.233 31 D C 0.933 177.422 176.300 0.315 0.000 1.149 31 D CA 1.682 55.827 54.000 0.242 0.000 0.682 31 D CB -1.227 39.688 40.800 0.191 0.000 1.068 31 D HN 1.006 nan 8.370 nan 0.000 0.429 32 G N -1.604 107.323 108.800 0.211 0.000 2.234 32 G HA2 -0.348 3.614 3.960 0.002 0.000 0.260 32 G HA3 -0.348 3.614 3.960 0.002 0.000 0.260 32 G C 0.365 175.236 174.900 -0.048 0.000 0.987 32 G CA 0.540 45.643 45.100 0.006 0.000 0.625 32 G HN 0.355 nan 8.290 nan 0.000 0.532 33 M N 1.941 121.472 119.600 -0.115 0.000 2.146 33 M HA 0.440 4.921 4.480 0.002 0.000 0.352 33 M C 1.346 177.490 176.300 -0.259 0.000 1.343 33 M CA -0.751 54.387 55.300 -0.270 0.000 1.115 33 M CB 0.213 32.642 32.600 -0.284 0.000 1.657 33 M HN 0.454 nan 8.290 nan 0.000 0.471 34 I N 2.256 122.550 120.570 -0.460 0.000 3.079 34 I HA 0.485 4.657 4.170 0.002 0.000 0.295 34 I C 0.063 176.055 176.117 -0.208 0.000 1.094 34 I CA -0.569 60.359 61.300 -0.620 0.000 1.295 34 I CB 0.651 38.033 38.000 -1.029 0.000 1.443 34 I HN 0.777 nan 8.210 nan 0.000 0.607 35 N N -0.084 118.699 118.700 0.139 0.000 3.506 35 N HA 0.201 4.943 4.740 0.002 0.000 0.331 35 N C -0.174 175.494 175.510 0.263 0.000 1.631 35 N CA -0.581 52.572 53.050 0.172 0.000 0.786 35 N CB -0.047 38.546 38.487 0.176 0.000 2.023 35 N HN 0.625 nan 8.380 nan 0.000 0.621 36 D N -1.366 119.144 120.400 0.182 0.000 2.309 36 D HA -0.109 4.533 4.640 0.002 0.000 0.212 36 D C 0.736 177.142 176.300 0.176 0.000 0.968 36 D CA 0.637 54.732 54.000 0.157 0.000 0.882 36 D CB -0.010 40.838 40.800 0.081 0.000 0.918 36 D HN 0.505 nan 8.370 nan 0.000 0.503 37 W N 0.571 121.927 121.300 0.093 0.000 2.354 37 W HA -0.212 4.449 4.660 0.002 0.000 0.315 37 W C 1.381 177.887 176.519 -0.022 0.000 1.206 37 W CA 1.565 58.892 57.345 -0.031 0.000 1.290 37 W CB -0.547 28.794 29.460 -0.198 0.000 1.152 37 W HN 0.189 nan 8.180 nan 0.000 0.489 38 H N -1.587 117.573 119.070 0.149 0.000 2.357 38 H HA -0.179 4.378 4.556 0.002 0.000 0.301 38 H C 2.372 177.738 175.328 0.063 0.000 1.082 38 H CA 2.169 58.294 56.048 0.129 0.000 1.342 38 H CB -1.135 28.741 29.762 0.189 0.000 1.389 38 H HN 0.230 nan 8.280 nan 0.000 0.511 39 H N 0.740 119.878 119.070 0.115 0.000 2.290 39 H HA -0.110 4.447 4.556 0.002 0.000 0.298 39 H C 2.110 177.423 175.328 -0.025 0.000 1.087 39 H CA 1.912 57.985 56.048 0.042 0.000 1.291 39 H CB -0.155 29.621 29.762 0.023 0.000 1.369 39 H HN 0.226 nan 8.280 nan 0.000 0.492 40 V N 0.745 120.667 119.914 0.014 0.000 2.358 40 V HA -0.225 3.896 4.120 0.002 0.000 0.246 40 V C 2.526 178.503 176.094 -0.194 0.000 1.047 40 V CA 2.137 64.385 62.300 -0.086 0.000 1.035 40 V CB -0.860 30.905 31.823 -0.098 0.000 0.658 40 V HN 0.532 nan 8.190 nan 0.000 0.452 41 H N 0.394 119.214 119.070 -0.417 0.000 2.290 41 H HA -0.163 4.394 4.556 0.002 0.000 0.298 41 H C 2.001 177.224 175.328 -0.175 0.000 1.087 41 H CA 2.249 58.059 56.048 -0.396 0.000 1.291 41 H CB -0.306 29.113 29.762 -0.571 0.000 1.369 41 H HN 0.327 nan 8.280 nan 0.000 0.492 42 L N -0.394 120.679 121.223 -0.250 0.000 2.072 42 L HA -0.037 4.305 4.340 0.002 0.000 0.205 42 L C 2.920 179.666 176.870 -0.206 0.000 1.079 42 L CA 0.915 55.615 54.840 -0.234 0.000 0.752 42 L CB -0.691 41.350 42.059 -0.029 0.000 0.906 42 L HN 0.446 nan 8.230 nan 0.000 0.436 43 A N 0.465 123.143 122.820 -0.236 0.000 1.902 43 A HA -0.115 4.207 4.320 0.002 0.000 0.217 43 A C 2.406 179.924 177.584 -0.111 0.000 1.181 43 A CA 1.705 53.618 52.037 -0.207 0.000 0.623 43 A CB -1.253 17.560 19.000 -0.311 0.000 0.818 43 A HN 0.435 nan 8.150 nan 0.000 0.443 44 G N -0.247 108.490 108.800 -0.105 0.000 2.418 44 G HA2 -0.157 3.804 3.960 0.002 0.000 0.217 44 G HA3 -0.157 3.804 3.960 0.002 0.000 0.217 44 G C 1.555 176.471 174.900 0.027 0.000 1.158 44 G CA 1.025 46.119 45.100 -0.011 0.000 0.771 44 G HN 0.431 nan 8.290 nan 0.000 0.545 45 L N 0.552 121.725 121.223 -0.084 0.000 2.056 45 L HA -0.016 4.325 4.340 0.002 0.000 0.207 45 L C 3.406 180.261 176.870 -0.025 0.000 1.078 45 L CA 0.916 55.719 54.840 -0.061 0.000 0.749 45 L CB -0.354 41.569 42.059 -0.227 0.000 0.901 45 L HN 0.307 nan 8.230 nan 0.000 0.433 46 A N 0.264 123.050 122.820 -0.057 0.000 1.933 46 A HA -0.208 4.113 4.320 0.002 0.000 0.218 46 A C 2.323 179.909 177.584 0.004 0.000 1.175 46 A CA 1.491 53.507 52.037 -0.036 0.000 0.628 46 A CB -0.460 18.508 19.000 -0.053 0.000 0.814 46 A HN 0.349 nan 8.150 nan 0.000 0.444 47 R N -0.750 119.761 120.500 0.019 0.000 2.235 47 R HA -0.031 4.311 4.340 0.002 0.000 0.213 47 R C 2.129 178.440 176.300 0.019 0.000 1.059 47 R CA 0.652 56.764 56.100 0.021 0.000 0.997 47 R CB -0.426 29.899 30.300 0.042 0.000 0.884 47 R HN 0.516 nan 8.270 nan 0.000 0.462 48 G N -0.298 108.564 108.800 0.103 0.000 2.509 48 G HA2 -0.040 3.922 3.960 0.002 0.000 0.218 48 G HA3 -0.040 3.922 3.960 0.002 0.000 0.218 48 G C 0.993 175.984 174.900 0.151 0.000 1.124 48 G CA 0.886 46.077 45.100 0.151 0.000 0.776 48 G HN 0.493 nan 8.290 nan 0.000 0.547 49 G N -1.338 107.543 108.800 0.135 0.000 2.284 49 G HA2 0.184 4.146 3.960 0.002 0.000 0.201 49 G HA3 0.184 4.146 3.960 0.002 0.000 0.201 49 G C 0.604 175.615 174.900 0.186 0.000 0.998 49 G CA 0.286 45.491 45.100 0.175 0.000 0.651 49 G HN 1.323 nan 8.290 nan 0.000 0.489 50 A N 0.836 123.755 122.820 0.166 0.000 2.531 50 A HA 0.542 4.864 4.320 0.002 0.000 0.236 50 A C 1.779 179.379 177.584 0.028 0.000 1.062 50 A CA 1.516 53.608 52.037 0.093 0.000 0.760 50 A CB 0.381 19.360 19.000 -0.035 0.000 0.995 50 A HN 1.564 nan 8.150 nan 0.000 0.501 51 G N 0.709 109.511 108.800 0.005 0.000 2.421 51 G HA2 0.261 4.223 3.960 0.002 0.000 0.217 51 G HA3 0.261 4.223 3.960 0.002 0.000 0.217 51 G C 0.302 175.157 174.900 -0.075 0.000 1.143 51 G CA 1.227 46.321 45.100 -0.010 0.000 0.784 51 G HN 0.859 nan 8.290 nan 0.000 0.541 52 L N -0.287 120.845 121.223 -0.152 0.000 2.431 52 L HA 0.752 5.094 4.340 0.002 0.000 0.266 52 L C -1.741 174.982 176.870 -0.244 0.000 0.978 52 L CA -1.190 53.490 54.840 -0.268 0.000 0.822 52 L CB 2.349 44.099 42.059 -0.515 0.000 1.310 52 L HN -0.056 nan 8.230 nan 0.000 0.409 53 L N 6.255 127.357 121.223 -0.202 0.000 2.345 53 L HA 0.623 4.965 4.340 0.002 0.000 0.274 53 L C -1.359 175.446 176.870 -0.109 0.000 0.999 53 L CA -0.341 54.409 54.840 -0.150 0.000 0.849 53 L CB 1.667 43.666 42.059 -0.099 0.000 1.220 53 L HN 0.384 nan 8.230 nan 0.000 0.422 54 V N 6.012 125.851 119.914 -0.126 0.000 2.385 54 V HA 0.328 4.450 4.120 0.002 0.000 0.269 54 V C 0.467 176.559 176.094 -0.004 0.000 1.043 54 V CA -0.687 61.567 62.300 -0.077 0.000 0.906 54 V CB 1.319 33.084 31.823 -0.097 0.000 0.995 54 V HN 0.533 nan 8.190 nan 0.000 0.467 55 V N 5.836 125.768 119.914 0.030 0.000 2.872 55 V HA 0.042 4.163 4.120 0.002 0.000 0.307 55 V C 1.027 177.144 176.094 0.038 0.000 1.072 55 V CA -0.311 62.042 62.300 0.088 0.000 1.148 55 V CB 0.667 32.563 31.823 0.121 0.000 0.954 55 V HN 1.085 nan 8.190 nan 0.000 0.490 56 E N 3.716 123.985 120.200 0.114 0.000 2.485 56 E HA 0.136 4.487 4.350 0.002 0.000 0.266 56 E C 0.250 176.868 176.600 0.030 0.000 1.137 56 E CA -0.126 56.324 56.400 0.084 0.000 1.010 56 E CB 0.434 30.205 29.700 0.119 0.000 0.986 56 E HN 0.812 nan 8.360 nan 0.000 0.460 57 A N 2.682 125.520 122.820 0.030 0.000 2.550 57 A HA 0.060 4.382 4.320 0.002 0.000 0.263 57 A C -0.145 177.445 177.584 0.009 0.000 1.065 57 A CA 0.374 52.433 52.037 0.037 0.000 0.786 57 A CB -0.422 18.645 19.000 0.112 0.000 0.985 57 A HN 0.517 nan 8.150 nan 0.000 0.518 58 T N 3.043 117.578 114.554 -0.030 0.000 2.772 58 T HA 0.535 4.886 4.350 0.002 0.000 0.288 58 T C 0.477 175.145 174.700 -0.053 0.000 0.994 58 T CA 0.342 62.427 62.100 -0.025 0.000 0.951 58 T CB 1.245 70.055 68.868 -0.096 0.000 0.933 58 T HN 1.061 nan 8.240 nan 0.000 0.447 59 A N 2.677 125.498 122.820 0.002 0.000 2.520 59 A HA 0.292 4.613 4.320 0.002 0.000 0.245 59 A C 1.641 179.222 177.584 -0.004 0.000 1.072 59 A CA -0.393 51.636 52.037 -0.013 0.000 0.761 59 A CB -0.021 19.015 19.000 0.059 0.000 1.004 59 A HN 1.016 nan 8.150 nan 0.000 0.499 60 V N -0.251 119.565 119.914 -0.163 0.000 3.306 60 V HA 0.490 4.612 4.120 0.002 0.000 0.264 60 V C 0.753 176.835 176.094 -0.021 0.000 1.149 60 V CA 1.067 63.258 62.300 -0.182 0.000 1.143 60 V CB -1.498 29.994 31.823 -0.551 0.000 0.767 60 V HN 1.645 nan 8.190 nan 0.000 0.476 61 A N -0.804 121.967 122.820 -0.081 0.000 2.604 61 A HA 0.775 5.096 4.320 0.002 0.000 0.295 61 A C -2.381 174.751 177.584 -0.753 0.000 1.067 61 A CA -0.926 50.925 52.037 -0.310 0.000 0.683 61 A CB 0.960 19.847 19.000 -0.189 0.000 1.281 61 A HN 0.020 nan 8.150 nan 0.000 0.407 62 P HA -0.209 nan 4.420 nan 0.000 0.215 62 P C 1.206 177.781 177.300 -1.208 0.000 1.157 62 P CA 1.902 63.999 63.100 -1.671 0.000 0.874 62 P CB 0.223 31.036 31.700 -1.478 0.000 0.790 63 E N -0.073 119.559 120.200 -0.946 0.000 2.478 63 E HA -0.033 4.318 4.350 0.002 0.000 0.198 63 E C 1.729 178.079 176.600 -0.416 0.000 1.046 63 E CA 1.332 57.234 56.400 -0.830 0.000 0.870 63 E CB -1.375 28.143 29.700 -0.304 0.000 0.818 63 E HN 0.219 nan 8.360 nan 0.000 0.527 64 G N 0.897 109.277 108.800 -0.700 0.000 2.985 64 G HA2 -0.027 3.934 3.960 0.002 0.000 0.209 64 G HA3 -0.027 3.934 3.960 0.002 0.000 0.209 64 G C 0.786 175.484 174.900 -0.337 0.000 1.165 64 G CA -0.500 44.015 45.100 -0.974 0.000 0.776 64 G HN 0.066 nan 8.290 nan 0.000 0.541 65 R N -0.448 119.949 120.500 -0.173 0.000 2.641 65 R HA 0.337 4.679 4.340 0.002 0.000 0.269 65 R C 1.052 177.503 176.300 0.253 0.000 1.074 65 R CA -0.333 55.799 56.100 0.053 0.000 1.133 65 R CB 0.979 31.324 30.300 0.075 0.000 1.029 65 R HN 0.093 nan 8.270 nan 0.000 0.488 66 I N -0.009 120.664 120.570 0.172 0.000 2.400 66 I HA -0.096 4.076 4.170 0.002 0.000 0.248 66 I C 1.192 177.454 176.117 0.242 0.000 1.109 66 I CA 0.927 62.332 61.300 0.175 0.000 1.425 66 I CB 0.025 38.099 38.000 0.123 0.000 1.094 66 I HN 0.715 nan 8.210 nan 0.000 0.425 67 T N -3.682 111.053 114.554 0.303 0.000 2.838 67 T HA 0.369 4.720 4.350 0.002 0.000 0.292 67 T C -2.447 172.486 174.700 0.388 0.000 1.113 67 T CA -1.679 60.587 62.100 0.276 0.000 1.008 67 T CB 1.604 70.594 68.868 0.203 0.000 1.259 67 T HN -0.319 nan 8.240 nan 0.000 0.520 68 P HA 0.179 nan 4.420 nan 0.000 0.234 68 P C 1.169 178.601 177.300 0.219 0.000 1.167 68 P CA 0.592 63.875 63.100 0.304 0.000 0.763 68 P CB -0.221 31.612 31.700 0.222 0.000 0.835 69 G N -2.118 106.807 108.800 0.210 0.000 3.126 69 G HA2 0.024 3.985 3.960 0.002 0.000 0.224 69 G HA3 0.024 3.985 3.960 0.002 0.000 0.224 69 G C 0.125 175.137 174.900 0.187 0.000 1.142 69 G CA -0.002 45.217 45.100 0.198 0.000 0.759 69 G HN 0.228 nan 8.290 nan 0.000 0.550 70 C N 1.447 120.853 119.300 0.177 0.000 2.605 70 C HA 0.663 5.124 4.460 0.002 0.000 0.404 70 C C 1.288 176.348 174.990 0.116 0.000 1.284 70 C CA -0.800 58.283 59.018 0.108 0.000 2.199 70 C CB 0.427 28.230 27.740 0.105 0.000 2.647 70 C HN 0.570 nan 8.230 nan 0.000 0.604 71 A N 2.293 125.164 122.820 0.085 0.000 2.351 71 A HA 0.668 4.989 4.320 0.002 0.000 0.257 71 A C 0.452 178.078 177.584 0.070 0.000 1.087 71 A CA 0.242 52.315 52.037 0.060 0.000 0.798 71 A CB 0.106 19.177 19.000 0.117 0.000 1.033 71 A HN 1.228 nan 8.150 nan 0.000 0.488 72 G N -1.107 107.669 108.800 -0.040 0.000 2.642 72 G HA2 0.560 4.521 3.960 0.002 0.000 0.293 72 G HA3 0.560 4.521 3.960 0.002 0.000 0.293 72 G C -0.729 174.012 174.900 -0.265 0.000 1.341 72 G CA -0.279 44.676 45.100 -0.241 0.000 0.916 72 G HN 1.016 nan 8.290 nan 0.000 0.474 73 I N 0.766 121.183 120.570 -0.256 0.000 3.114 73 I HA 0.228 4.400 4.170 0.002 0.000 0.326 73 I C 0.423 176.457 176.117 -0.138 0.000 1.510 73 I CA -0.765 60.463 61.300 -0.120 0.000 0.918 73 I CB 0.085 38.060 38.000 -0.042 0.000 1.561 73 I HN 0.689 nan 8.210 nan 0.000 0.565 74 W N 1.991 123.130 121.300 -0.269 0.000 3.292 74 W HA 0.433 5.094 4.660 0.002 0.000 0.263 74 W C 0.440 176.891 176.519 -0.112 0.000 1.318 74 W CA 0.026 57.240 57.345 -0.219 0.000 1.663 74 W CB -0.844 28.445 29.460 -0.286 0.000 1.114 74 W HN 0.234 nan 8.180 nan 0.000 0.706 75 S N -1.183 114.479 115.700 -0.063 0.000 2.596 75 S HA 0.253 4.724 4.470 0.002 0.000 0.270 75 S C 0.127 174.786 174.600 0.098 0.000 1.155 75 S CA -0.461 57.804 58.200 0.110 0.000 0.827 75 S CB 1.447 64.781 63.200 0.224 0.000 1.130 75 S HN -0.088 nan 8.310 nan 0.000 0.467 76 D N 1.361 121.815 120.400 0.090 0.000 2.219 76 D HA 0.082 4.723 4.640 0.002 0.000 0.205 76 D C 2.102 178.433 176.300 0.052 0.000 0.970 76 D CA 1.717 55.760 54.000 0.072 0.000 0.851 76 D CB -0.538 40.297 40.800 0.058 0.000 0.943 76 D HN 0.698 nan 8.370 nan 0.000 0.488 77 A N 0.116 122.952 122.820 0.026 0.000 1.930 77 A HA -0.192 4.130 4.320 0.002 0.000 0.217 77 A C 1.767 179.270 177.584 -0.134 0.000 1.175 77 A CA 1.376 53.376 52.037 -0.060 0.000 0.627 77 A CB -0.743 18.195 19.000 -0.104 0.000 0.815 77 A HN 0.261 nan 8.150 nan 0.000 0.443 78 H N -0.409 118.570 119.070 -0.152 0.000 2.389 78 H HA 0.108 4.665 4.556 0.002 0.000 0.299 78 H C 2.420 177.754 175.328 0.009 0.000 1.081 78 H CA 1.525 57.452 56.048 -0.202 0.000 1.345 78 H CB -0.119 29.396 29.762 -0.411 0.000 1.393 78 H HN 0.511 nan 8.280 nan 0.000 0.520 79 A N 0.510 123.453 122.820 0.206 0.000 1.930 79 A HA -0.245 4.076 4.320 0.002 0.000 0.217 79 A C 2.221 179.956 177.584 0.252 0.000 1.175 79 A CA 1.678 53.898 52.037 0.305 0.000 0.627 79 A CB -0.607 18.506 19.000 0.189 0.000 0.815 79 A HN 0.542 nan 8.150 nan 0.000 0.443 80 Q N -0.297 119.567 119.800 0.106 0.000 2.135 80 Q HA -0.170 4.172 4.340 0.002 0.000 0.204 80 Q C 2.055 178.067 176.000 0.020 0.000 0.981 80 Q CA 1.739 57.574 55.803 0.052 0.000 0.856 80 Q CB -0.392 28.348 28.738 0.002 0.000 0.902 80 Q HN 0.598 nan 8.270 nan 0.000 0.425 81 A N -0.220 122.564 122.820 -0.061 0.000 2.024 81 A HA -0.155 4.167 4.320 0.002 0.000 0.220 81 A C 1.547 179.026 177.584 -0.175 0.000 1.164 81 A CA 1.128 53.057 52.037 -0.180 0.000 0.643 81 A CB -0.699 18.091 19.000 -0.351 0.000 0.806 81 A HN 0.510 nan 8.150 nan 0.000 0.451 82 F N -0.833 119.140 119.950 0.037 0.000 2.456 82 F HA -0.023 4.505 4.527 0.002 0.000 0.298 82 F C 2.249 178.046 175.800 -0.005 0.000 1.104 82 F CA 0.690 58.736 58.000 0.076 0.000 1.435 82 F CB -0.372 38.762 39.000 0.223 0.000 1.078 82 F HN 0.005 nan 8.300 nan 0.000 0.546 83 V N 1.298 121.301 119.914 0.147 0.000 2.252 83 V HA -0.274 3.847 4.120 0.002 0.000 0.249 83 V C -0.274 175.837 176.094 0.028 0.000 1.056 83 V CA 2.247 64.575 62.300 0.047 0.000 1.022 83 V CB -1.727 30.118 31.823 0.036 0.000 0.641 83 V HN 0.189 nan 8.190 nan 0.000 0.445 84 P HA -0.067 nan 4.420 nan 0.000 0.218 84 P C 1.845 179.239 177.300 0.157 0.000 1.149 84 P CA 1.058 64.212 63.100 0.091 0.000 0.817 84 P CB -0.055 31.686 31.700 0.068 0.000 0.785 85 V N -0.523 119.490 119.914 0.165 0.000 2.307 85 V HA -0.185 3.936 4.120 0.002 0.000 0.245 85 V C 2.451 178.529 176.094 -0.028 0.000 1.045 85 V CA 1.651 64.001 62.300 0.083 0.000 1.024 85 V CB -1.290 30.628 31.823 0.158 0.000 0.651 85 V HN -0.042 nan 8.190 nan 0.000 0.449 86 V N -0.090 119.770 119.914 -0.090 0.000 2.332 86 V HA -0.349 3.773 4.120 0.002 0.000 0.248 86 V C 2.511 178.524 176.094 -0.135 0.000 1.055 86 V CA 2.233 64.384 62.300 -0.249 0.000 1.038 86 V CB -0.773 30.759 31.823 -0.486 0.000 0.651 86 V HN 0.614 nan 8.190 nan 0.000 0.450 87 Q N -0.433 119.322 119.800 -0.075 0.000 2.167 87 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 87 Q C 2.361 178.345 176.000 -0.027 0.000 0.970 87 Q CA 1.542 57.321 55.803 -0.041 0.000 0.855 87 Q CB -0.350 28.379 28.738 -0.014 0.000 0.911 87 Q HN 0.689 nan 8.270 nan 0.000 0.438 88 A N 0.555 123.360 122.820 -0.024 0.000 1.929 88 A HA -0.132 4.189 4.320 0.002 0.000 0.216 88 A C 1.906 179.447 177.584 -0.070 0.000 1.176 88 A CA 0.917 52.927 52.037 -0.045 0.000 0.628 88 A CB -0.243 18.688 19.000 -0.116 0.000 0.816 88 A HN 0.199 nan 8.150 nan 0.000 0.444 89 I N 0.283 120.805 120.570 -0.079 0.000 2.252 89 I HA -0.200 3.971 4.170 0.002 0.000 0.245 89 I C 2.280 178.373 176.117 -0.040 0.000 1.102 89 I CA 1.511 62.773 61.300 -0.063 0.000 1.385 89 I CB -0.415 37.553 38.000 -0.052 0.000 1.064 89 I HN 0.240 nan 8.210 nan 0.000 0.414 90 K N 0.321 120.697 120.400 -0.040 0.000 2.057 90 K HA -0.075 4.246 4.320 0.002 0.000 0.207 90 K C 2.184 178.774 176.600 -0.016 0.000 1.049 90 K CA 1.425 57.698 56.287 -0.023 0.000 0.931 90 K CB -0.377 32.106 32.500 -0.027 0.000 0.714 90 K HN 0.314 nan 8.250 nan 0.000 0.440 91 A N 1.435 124.243 122.820 -0.021 0.000 2.024 91 A HA -0.111 4.211 4.320 0.002 0.000 0.220 91 A C 2.209 179.784 177.584 -0.016 0.000 1.164 91 A CA 1.807 53.834 52.037 -0.015 0.000 0.643 91 A CB -0.484 18.508 19.000 -0.014 0.000 0.806 91 A HN 0.338 nan 8.150 nan 0.000 0.451 92 A N -2.119 120.688 122.820 -0.021 0.000 2.208 92 A HA 0.413 4.735 4.320 0.002 0.000 0.209 92 A C 1.821 179.404 177.584 -0.002 0.000 1.161 92 A CA 1.196 53.222 52.037 -0.019 0.000 0.782 92 A CB -0.766 18.217 19.000 -0.027 0.000 0.816 92 A HN 1.846 nan 8.150 nan 0.000 0.477 93 G N -1.208 107.594 108.800 0.003 0.000 2.176 93 G HA2 -0.214 3.748 3.960 0.002 0.000 0.253 93 G HA3 -0.214 3.748 3.960 0.002 0.000 0.253 93 G C 0.419 175.331 174.900 0.020 0.000 0.979 93 G CA 0.545 45.655 45.100 0.018 0.000 0.641 93 G HN 0.997 nan 8.290 nan 0.000 0.530 94 S N -0.974 114.729 115.700 0.006 0.000 2.654 94 S HA 0.673 5.145 4.470 0.002 0.000 0.283 94 S C 0.513 175.112 174.600 -0.002 0.000 1.180 94 S CA -0.221 57.977 58.200 -0.003 0.000 1.021 94 S CB 1.576 64.763 63.200 -0.022 0.000 1.018 94 S HN 0.787 nan 8.310 nan 0.000 0.532 95 V N 6.079 125.987 119.914 -0.010 0.000 2.432 95 V HA 0.379 4.500 4.120 0.002 0.000 0.271 95 V C -1.961 174.148 176.094 0.024 0.000 1.046 95 V CA -1.626 60.687 62.300 0.023 0.000 0.945 95 V CB 1.146 32.991 31.823 0.036 0.000 0.992 95 V HN 0.731 nan 8.190 nan 0.000 0.471 96 P HA 0.359 nan 4.420 nan 0.000 0.287 96 P C -0.174 177.360 177.300 0.389 0.000 1.294 96 P CA 0.163 63.361 63.100 0.163 0.000 0.776 96 P CB 1.647 33.363 31.700 0.027 0.000 0.889 97 G N 3.017 112.013 108.800 0.327 0.000 2.630 97 G HA2 0.736 4.698 3.960 0.002 0.000 0.296 97 G HA3 0.736 4.698 3.960 0.002 0.000 0.296 97 G C -1.631 173.299 174.900 0.050 0.000 1.285 97 G CA -0.865 44.414 45.100 0.298 0.000 0.958 97 G HN 0.586 nan 8.290 nan 0.000 0.479 98 I N -0.736 119.694 120.570 -0.235 0.000 2.775 98 I HA 0.414 4.585 4.170 0.002 0.000 0.295 98 I C -1.117 174.793 176.117 -0.344 0.000 1.287 98 I CA -0.782 60.209 61.300 -0.515 0.000 1.029 98 I CB 2.426 39.615 38.000 -1.353 0.000 1.282 98 I HN 0.520 nan 8.210 nan 0.000 0.426 99 Q N 7.897 127.546 119.800 -0.251 0.000 2.340 99 Q HA 0.517 4.858 4.340 0.002 0.000 0.259 99 Q C -1.199 174.694 176.000 -0.179 0.000 0.964 99 Q CA -0.780 54.910 55.803 -0.189 0.000 0.900 99 Q CB 1.226 29.879 28.738 -0.143 0.000 1.228 99 Q HN 0.656 nan 8.270 nan 0.000 0.449 100 I N 0.678 121.147 120.570 -0.169 0.000 2.385 100 I HA 0.902 5.073 4.170 0.002 0.000 0.294 100 I C -0.650 175.480 176.117 0.022 0.000 0.988 100 I CA -0.601 60.611 61.300 -0.146 0.000 1.265 100 I CB 1.688 39.560 38.000 -0.213 0.000 1.388 100 I HN 0.609 nan 8.210 nan 0.000 0.480 101 A N 4.286 127.086 122.820 -0.032 0.000 2.567 101 A HA 0.720 5.042 4.320 0.002 0.000 0.289 101 A C -1.578 176.044 177.584 0.064 0.000 1.177 101 A CA -0.485 51.646 52.037 0.156 0.000 0.694 101 A CB 1.683 20.810 19.000 0.212 0.000 1.292 101 A HN 0.893 nan 8.150 nan 0.000 0.425 102 H N -0.190 118.980 119.070 0.167 0.000 3.224 102 H HA 0.529 5.086 4.556 0.002 0.000 0.331 102 H C 0.383 175.804 175.328 0.155 0.000 1.002 102 H CA 0.155 56.294 56.048 0.151 0.000 1.473 102 H CB 1.721 31.671 29.762 0.314 0.000 1.830 102 H HN 0.868 nan 8.280 nan 0.000 0.485 103 A N 3.698 126.574 122.820 0.094 0.000 2.172 103 A HA 0.153 4.475 4.320 0.002 0.000 0.216 103 A C 1.746 179.613 177.584 0.471 0.000 1.154 103 A CA 1.371 53.506 52.037 0.164 0.000 0.701 103 A CB -0.621 18.406 19.000 0.044 0.000 0.789 103 A HN 1.190 nan 8.150 nan 0.000 0.465 104 G N 0.560 109.710 108.800 0.582 0.000 2.634 104 G HA2 -0.465 3.497 3.960 0.002 0.000 0.309 104 G HA3 -0.465 3.497 3.960 0.002 0.000 0.309 104 G C 1.047 176.122 174.900 0.291 0.000 1.265 104 G CA 1.344 46.686 45.100 0.403 0.000 0.998 104 G HN 1.169 nan 8.290 nan 0.000 0.551 105 R N 0.761 121.383 120.500 0.204 0.000 2.285 105 R HA 0.146 4.488 4.340 0.002 0.000 0.213 105 R C 1.826 178.262 176.300 0.225 0.000 1.068 105 R CA 1.682 57.887 56.100 0.175 0.000 1.004 105 R CB -0.195 30.184 30.300 0.132 0.000 0.873 105 R HN 0.487 nan 8.270 nan 0.000 0.467 106 K N 0.830 121.356 120.400 0.210 0.000 2.417 106 K HA 0.220 4.542 4.320 0.002 0.000 0.196 106 K C 0.437 177.146 176.600 0.182 0.000 1.023 106 K CA 0.105 56.455 56.287 0.105 0.000 1.122 106 K CB 0.759 33.303 32.500 0.074 0.000 0.850 106 K HN 0.238 nan 8.250 nan 0.000 0.521 107 A N 0.924 123.894 122.820 0.249 0.000 2.280 107 A HA 0.185 4.506 4.320 0.002 0.000 0.268 107 A C 0.690 178.237 177.584 -0.061 0.000 1.111 107 A CA 0.008 52.169 52.037 0.207 0.000 0.814 107 A CB 0.319 19.553 19.000 0.391 0.000 1.093 107 A HN 0.203 nan 8.150 nan 0.000 0.498 108 S N -2.321 113.054 115.700 -0.541 0.000 3.628 108 S HA -0.006 4.465 4.470 0.002 0.000 0.373 108 S C 0.062 174.411 174.600 -0.418 0.000 0.968 108 S CA 0.732 58.169 58.200 -1.272 0.000 1.215 108 S CB -1.765 60.501 63.200 -1.558 0.000 0.912 108 S HN 2.322 nan 8.310 nan 0.000 0.495 109 A N 1.419 124.111 122.820 -0.213 0.000 2.350 109 A HA 0.796 5.117 4.320 0.002 0.000 0.318 109 A C 0.060 177.565 177.584 -0.132 0.000 1.132 109 A CA -0.721 51.242 52.037 -0.123 0.000 0.811 109 A CB 0.741 19.651 19.000 -0.149 0.000 1.313 109 A HN 0.665 nan 8.150 nan 0.000 0.454 110 N N 0.056 118.669 118.700 -0.144 0.000 2.424 110 N HA 0.327 5.068 4.740 0.002 0.000 0.257 110 N C 0.036 175.362 175.510 -0.306 0.000 1.250 110 N CA -0.293 52.645 53.050 -0.186 0.000 0.946 110 N CB 0.453 38.837 38.487 -0.171 0.000 1.175 110 N HN 0.589 nan 8.380 nan 0.000 0.477 111 R N 1.323 121.547 120.500 -0.460 0.000 2.734 111 R HA -0.006 4.335 4.340 0.002 0.000 0.266 111 R C -1.569 174.177 176.300 -0.923 0.000 1.044 111 R CA -0.968 54.583 56.100 -0.915 0.000 1.128 111 R CB -0.047 29.503 30.300 -1.249 0.000 1.010 111 R HN 0.493 nan 8.270 nan 0.000 0.461 112 P HA -0.172 nan 4.420 nan 0.000 0.216 112 P C 0.290 177.418 177.300 -0.287 0.000 1.150 112 P CA 1.404 64.173 63.100 -0.553 0.000 0.843 112 P CB 0.020 31.469 31.700 -0.419 0.000 0.787 113 W N -0.773 120.395 121.300 -0.219 0.000 3.388 113 W HA 0.331 4.992 4.660 0.002 0.000 0.324 113 W C 0.100 176.549 176.519 -0.117 0.000 1.250 113 W CA -0.160 57.098 57.345 -0.146 0.000 1.809 113 W CB -0.863 28.518 29.460 -0.133 0.000 1.083 113 W HN -0.043 nan 8.180 nan 0.000 0.685 114 E N 0.356 120.391 120.200 -0.275 0.000 2.995 114 E HA 0.351 4.702 4.350 0.002 0.000 0.203 114 E C 1.283 177.793 176.600 -0.149 0.000 0.980 114 E CA 0.185 56.477 56.400 -0.180 0.000 1.172 114 E CB 0.634 30.179 29.700 -0.257 0.000 1.088 114 E HN 0.350 nan 8.360 nan 0.000 0.463 115 G N 1.847 110.573 108.800 -0.122 0.000 2.436 115 G HA2 -0.307 3.655 3.960 0.002 0.000 0.204 115 G HA3 -0.307 3.655 3.960 0.002 0.000 0.204 115 G C 0.544 175.385 174.900 -0.099 0.000 1.026 115 G CA -0.039 45.006 45.100 -0.090 0.000 0.658 115 G HN 0.382 nan 8.290 nan 0.000 0.499 116 D N 1.248 121.553 120.400 -0.158 0.000 3.039 116 D HA -0.139 4.502 4.640 0.002 0.000 0.222 116 D C 0.235 176.526 176.300 -0.015 0.000 1.179 116 D CA 2.218 56.135 54.000 -0.138 0.000 0.880 116 D CB -0.830 39.886 40.800 -0.140 0.000 1.115 116 D HN 0.964 nan 8.370 nan 0.000 0.416 117 D N -1.571 118.808 120.400 -0.035 0.000 2.467 117 D HA 0.300 4.941 4.640 0.002 0.000 0.245 117 D C 0.014 176.268 176.300 -0.076 0.000 1.038 117 D CA -0.602 53.388 54.000 -0.016 0.000 1.038 117 D CB 0.081 40.900 40.800 0.031 0.000 1.278 117 D HN 0.304 nan 8.370 nan 0.000 0.564 118 H N -0.571 118.442 119.070 -0.096 0.000 2.928 118 H HA 0.164 4.722 4.556 0.002 0.000 0.338 118 H C 0.294 175.540 175.328 -0.137 0.000 1.047 118 H CA -0.263 55.699 56.048 -0.143 0.000 1.435 118 H CB 0.574 30.256 29.762 -0.135 0.000 1.428 118 H HN 0.156 nan 8.280 nan 0.000 0.590 119 I N 2.858 123.412 120.570 -0.027 0.000 2.648 119 I HA -0.007 4.164 4.170 0.002 0.000 0.284 119 I C 0.863 176.929 176.117 -0.085 0.000 1.153 119 I CA -0.282 60.964 61.300 -0.091 0.000 1.426 119 I CB 0.607 38.508 38.000 -0.167 0.000 1.381 119 I HN 0.669 nan 8.210 nan 0.000 0.571 120 A N 4.940 127.725 122.820 -0.059 0.000 2.520 120 A HA 0.291 4.612 4.320 0.002 0.000 0.235 120 A C 1.389 178.936 177.584 -0.063 0.000 1.065 120 A CA 0.398 52.405 52.037 -0.050 0.000 0.764 120 A CB 0.264 19.244 19.000 -0.032 0.000 1.002 120 A HN 0.978 nan 8.150 nan 0.000 0.502 121 A N 1.248 124.033 122.820 -0.058 0.000 1.978 121 A HA -0.158 4.163 4.320 0.002 0.000 0.220 121 A C 1.338 178.901 177.584 -0.035 0.000 1.170 121 A CA 2.139 54.142 52.037 -0.056 0.000 0.636 121 A CB -0.689 18.283 19.000 -0.047 0.000 0.810 121 A HN 0.953 nan 8.150 nan 0.000 0.448 122 D N -0.950 119.435 120.400 -0.025 0.000 2.339 122 D HA 0.044 4.685 4.640 0.002 0.000 0.217 122 D C 0.174 176.469 176.300 -0.008 0.000 1.050 122 D CA -0.090 53.902 54.000 -0.013 0.000 0.856 122 D CB -0.176 40.619 40.800 -0.010 0.000 0.922 122 D HN 0.253 nan 8.370 nan 0.000 0.518 123 D N 1.025 121.416 120.400 -0.015 0.000 2.343 123 D HA -0.022 4.620 4.640 0.002 0.000 0.255 123 D C 1.335 177.641 176.300 0.011 0.000 1.187 123 D CA 0.213 54.209 54.000 -0.007 0.000 0.875 123 D CB 1.363 42.150 40.800 -0.022 0.000 1.136 123 D HN 0.143 nan 8.370 nan 0.000 0.469 124 T N 1.737 116.306 114.554 0.025 0.000 3.077 124 T HA -0.098 4.253 4.350 0.002 0.000 0.269 124 T C 1.496 176.241 174.700 0.075 0.000 1.146 124 T CA 0.765 62.892 62.100 0.044 0.000 1.091 124 T CB 0.003 68.895 68.868 0.040 0.000 0.892 124 T HN 0.400 nan 8.240 nan 0.000 0.533 125 R N 0.731 121.278 120.500 0.078 0.000 2.246 125 R HA 0.294 4.636 4.340 0.002 0.000 0.199 125 R C 1.658 178.087 176.300 0.216 0.000 0.984 125 R CA 0.253 56.437 56.100 0.140 0.000 1.015 125 R CB -0.082 30.285 30.300 0.111 0.000 0.930 125 R HN 0.474 nan 8.270 nan 0.000 0.475 126 G N 0.888 109.737 108.800 0.082 0.000 2.616 126 G HA2 0.246 4.208 3.960 0.002 0.000 0.268 126 G HA3 0.246 4.208 3.960 0.002 0.000 0.268 126 G C -0.828 174.177 174.900 0.175 0.000 1.213 126 G CA -0.434 44.642 45.100 -0.039 0.000 0.926 126 G HN 0.350 nan 8.290 nan 0.000 0.523 127 W N -1.308 119.969 121.300 -0.039 0.000 3.066 127 W HA 0.599 5.261 4.660 0.002 0.000 0.330 127 W C -0.676 175.809 176.519 -0.057 0.000 1.253 127 W CA -1.309 56.006 57.345 -0.049 0.000 1.187 127 W CB 0.886 30.310 29.460 -0.061 0.000 1.434 127 W HN 0.686 nan 8.180 nan 0.000 0.572 128 E N 1.778 122.103 120.200 0.209 0.000 2.344 128 E HA 0.331 4.682 4.350 0.002 0.000 0.270 128 E C 0.211 176.928 176.600 0.196 0.000 1.021 128 E CA 0.007 56.465 56.400 0.098 0.000 0.887 128 E CB 0.917 30.664 29.700 0.078 0.000 0.997 128 E HN 0.457 nan 8.360 nan 0.000 0.429 129 T N 2.512 117.102 114.554 0.059 0.000 2.922 129 T HA 0.544 4.895 4.350 0.002 0.000 0.285 129 T C 0.470 175.237 174.700 0.111 0.000 1.005 129 T CA -0.899 61.276 62.100 0.125 0.000 1.061 129 T CB 0.674 69.559 68.868 0.028 0.000 1.007 129 T HN 0.484 nan 8.240 nan 0.000 0.502 130 I N -1.318 119.346 120.570 0.157 0.000 2.785 130 I HA 0.938 5.109 4.170 0.002 0.000 0.302 130 I C -0.559 175.580 176.117 0.037 0.000 1.069 130 I CA -1.553 59.796 61.300 0.081 0.000 1.045 130 I CB 1.815 39.864 38.000 0.081 0.000 1.236 130 I HN 1.027 nan 8.210 nan 0.000 0.429 131 A N 4.443 127.228 122.820 -0.059 0.000 2.536 131 A HA 0.737 5.059 4.320 0.002 0.000 0.293 131 A C -2.667 174.721 177.584 -0.328 0.000 1.119 131 A CA -1.078 50.854 52.037 -0.174 0.000 0.654 131 A CB 0.735 19.673 19.000 -0.104 0.000 1.291 131 A HN 0.520 nan 8.150 nan 0.000 0.439 132 P HA 0.036 nan 4.420 nan 0.000 0.217 132 P C 0.317 177.443 177.300 -0.290 0.000 1.150 132 P CA 1.534 64.200 63.100 -0.723 0.000 0.832 132 P CB 0.218 31.280 31.700 -1.062 0.000 0.787 133 S N -1.957 113.617 115.700 -0.211 0.000 2.595 133 S HA 0.608 5.080 4.470 0.002 0.000 0.281 133 S C -0.566 173.991 174.600 -0.071 0.000 1.117 133 S CA -0.644 57.492 58.200 -0.107 0.000 0.873 133 S CB 1.833 64.984 63.200 -0.082 0.000 1.108 133 S HN -0.010 nan 8.310 nan 0.000 0.477 134 A N 1.884 124.677 122.820 -0.045 0.000 3.026 134 A HA 0.522 4.844 4.320 0.002 0.000 0.272 134 A C -0.552 177.021 177.584 -0.019 0.000 1.782 134 A CA 0.164 52.183 52.037 -0.029 0.000 1.451 134 A CB -1.273 17.713 19.000 -0.023 0.000 1.081 134 A HN 0.495 nan 8.150 nan 0.000 0.611 135 I N 0.850 121.413 120.570 -0.012 0.000 2.533 135 I HA 0.492 4.663 4.170 0.002 0.000 0.290 135 I C 0.465 176.599 176.117 0.028 0.000 1.056 135 I CA -0.303 60.998 61.300 0.002 0.000 1.057 135 I CB 1.904 39.904 38.000 0.000 0.000 1.240 135 I HN 0.408 nan 8.210 nan 0.000 0.423 136 A N 4.425 127.267 122.820 0.036 0.000 2.322 136 A HA 0.368 4.689 4.320 0.002 0.000 0.269 136 A C 0.721 178.371 177.584 0.110 0.000 1.094 136 A CA -0.115 51.973 52.037 0.084 0.000 0.807 136 A CB 0.045 19.087 19.000 0.070 0.000 1.047 136 A HN 0.773 nan 8.150 nan 0.000 0.487 137 F N 1.850 121.805 119.950 0.008 0.000 2.134 137 F HA 0.291 4.819 4.527 0.002 0.000 0.299 137 F C 1.324 177.107 175.800 -0.029 0.000 1.097 137 F CA 2.022 60.009 58.000 -0.021 0.000 1.264 137 F CB -0.233 38.730 39.000 -0.061 0.000 1.001 137 F HN 1.198 nan 8.300 nan 0.000 0.479 138 G N -0.608 108.244 108.800 0.086 0.000 2.526 138 G HA2 0.357 4.319 3.960 0.002 0.000 0.250 138 G HA3 0.357 4.319 3.960 0.002 0.000 0.250 138 G C 0.347 175.303 174.900 0.094 0.000 1.289 138 G CA 0.046 45.140 45.100 -0.010 0.000 0.947 138 G HN 1.442 nan 8.290 nan 0.000 0.517 139 A N -1.629 121.230 122.820 0.065 0.000 5.395 139 A HA -0.239 4.082 4.320 0.002 0.000 0.324 139 A C 1.710 179.408 177.584 0.191 0.000 1.813 139 A CA 3.438 55.576 52.037 0.168 0.000 0.714 139 A CB -1.804 17.389 19.000 0.322 0.000 1.374 139 A HN 2.878 nan 8.150 nan 0.000 0.390 140 H N 0.420 119.552 119.070 0.103 0.000 2.556 140 H HA 0.414 4.972 4.556 0.002 0.000 0.268 140 H C 0.602 175.920 175.328 -0.016 0.000 0.996 140 H CA 1.230 57.296 56.048 0.029 0.000 1.157 140 H CB -0.539 29.215 29.762 -0.014 0.000 1.355 140 H HN 0.493 nan 8.280 nan 0.000 0.597 141 L N 3.106 124.142 121.223 -0.311 0.000 2.637 141 L HA 0.247 4.588 4.340 0.002 0.000 0.241 141 L C -1.828 175.146 176.870 0.173 0.000 1.398 141 L CA -1.433 53.201 54.840 -0.344 0.000 0.895 141 L CB 1.792 43.416 42.059 -0.725 0.000 1.183 141 L HN -0.013 nan 8.230 nan 0.000 0.497 142 P HA -0.069 nan 4.420 nan 0.000 0.236 142 P C 0.211 177.579 177.300 0.113 0.000 1.177 142 P CA 0.241 63.432 63.100 0.151 0.000 0.773 142 P CB 0.314 32.066 31.700 0.086 0.000 0.878 143 K N 0.912 121.372 120.400 0.100 0.000 2.472 143 K HA 0.132 4.454 4.320 0.002 0.000 0.280 143 K C -0.014 176.529 176.600 -0.095 0.000 1.028 143 K CA 0.090 56.260 56.287 -0.196 0.000 1.045 143 K CB 0.691 32.725 32.500 -0.776 0.000 0.902 143 K HN -0.060 nan 8.250 nan 0.000 0.478 144 V N 7.078 126.948 119.914 -0.074 0.000 2.455 144 V HA 0.104 4.225 4.120 0.002 0.000 0.273 144 V C -1.374 174.689 176.094 -0.052 0.000 1.045 144 V CA -1.351 60.928 62.300 -0.036 0.000 0.976 144 V CB 0.716 32.523 31.823 -0.027 0.000 0.993 144 V HN 0.738 nan 8.190 nan 0.000 0.475 145 P HA 0.276 nan 4.420 nan 0.000 0.276 145 P C -0.678 176.611 177.300 -0.019 0.000 1.261 145 P CA -0.837 62.251 63.100 -0.021 0.000 0.800 145 P CB 1.161 32.865 31.700 0.006 0.000 1.066 146 R N 0.866 121.361 120.500 -0.009 0.000 2.357 146 R HA 0.142 4.483 4.340 0.002 0.000 0.296 146 R C 0.313 176.600 176.300 -0.021 0.000 1.052 146 R CA -0.461 55.633 56.100 -0.010 0.000 0.988 146 R CB 0.421 30.722 30.300 0.002 0.000 1.025 146 R HN 0.495 nan 8.270 nan 0.000 0.469 147 E N 5.136 125.319 120.200 -0.027 0.000 2.366 147 E HA -0.023 4.329 4.350 0.002 0.000 0.266 147 E C -0.429 176.153 176.600 -0.029 0.000 1.015 147 E CA -0.074 56.301 56.400 -0.041 0.000 0.906 147 E CB 0.637 30.318 29.700 -0.030 0.000 0.979 147 E HN 0.503 nan 8.360 nan 0.000 0.443 148 M N 3.376 122.950 119.600 -0.043 0.000 2.245 148 M HA 0.050 4.531 4.480 0.002 0.000 0.344 148 M C 0.668 176.964 176.300 -0.006 0.000 1.170 148 M CA 0.120 55.408 55.300 -0.021 0.000 1.135 148 M CB 0.851 33.441 32.600 -0.016 0.000 1.574 148 M HN 0.596 nan 8.290 nan 0.000 0.452 149 T N -0.465 114.086 114.554 -0.004 0.000 2.862 149 T HA 0.405 4.756 4.350 0.002 0.000 0.276 149 T C 1.085 175.779 174.700 -0.011 0.000 0.974 149 T CA -0.972 61.130 62.100 0.003 0.000 0.966 149 T CB 0.776 69.648 68.868 0.007 0.000 1.072 149 T HN 0.654 nan 8.240 nan 0.000 0.538 150 L N 0.098 121.324 121.223 0.004 0.000 2.131 150 L HA -0.070 4.271 4.340 0.002 0.000 0.210 150 L C 2.343 179.202 176.870 -0.020 0.000 1.092 150 L CA 1.323 56.158 54.840 -0.009 0.000 0.759 150 L CB -0.555 41.535 42.059 0.053 0.000 0.903 150 L HN 0.691 nan 8.230 nan 0.000 0.435 151 D N -0.116 120.284 120.400 0.000 0.000 2.144 151 D HA -0.162 4.480 4.640 0.002 0.000 0.200 151 D C 1.784 178.084 176.300 0.000 0.000 0.978 151 D CA 0.996 54.999 54.000 0.005 0.000 0.833 151 D CB -0.116 40.691 40.800 0.012 0.000 0.961 151 D HN 0.289 nan 8.370 nan 0.000 0.470 152 D N 0.448 120.844 120.400 -0.007 0.000 2.117 152 D HA -0.109 4.532 4.640 0.002 0.000 0.197 152 D C 2.191 178.485 176.300 -0.011 0.000 0.987 152 D CA 0.361 54.359 54.000 -0.003 0.000 0.829 152 D CB 0.029 40.825 40.800 -0.007 0.000 0.961 152 D HN 0.177 nan 8.370 nan 0.000 0.460 153 I N 1.428 121.962 120.570 -0.060 0.000 2.179 153 I HA -0.204 3.967 4.170 0.002 0.000 0.242 153 I C 2.549 178.658 176.117 -0.013 0.000 1.088 153 I CA 0.695 61.932 61.300 -0.105 0.000 1.357 153 I CB -1.341 36.432 38.000 -0.377 0.000 1.051 153 I HN -0.122 nan 8.210 nan 0.000 0.409 154 A N 0.682 123.492 122.820 -0.017 0.000 1.902 154 A HA -0.217 4.104 4.320 0.002 0.000 0.217 154 A C 2.523 180.136 177.584 0.049 0.000 1.181 154 A CA 1.428 53.476 52.037 0.019 0.000 0.623 154 A CB -0.566 18.447 19.000 0.021 0.000 0.818 154 A HN 0.267 nan 8.150 nan 0.000 0.443 155 R N 0.059 120.588 120.500 0.049 0.000 2.066 155 R HA -0.081 4.261 4.340 0.002 0.000 0.232 155 R C 1.969 178.334 176.300 0.108 0.000 1.131 155 R CA 1.932 58.070 56.100 0.063 0.000 0.955 155 R CB -0.798 29.527 30.300 0.043 0.000 0.851 155 R HN 0.336 nan 8.270 nan 0.000 0.432 156 V N 1.833 121.832 119.914 0.142 0.000 2.407 156 V HA -0.214 3.908 4.120 0.002 0.000 0.248 156 V C 2.437 178.758 176.094 0.379 0.000 1.055 156 V CA 1.808 64.263 62.300 0.257 0.000 1.049 156 V CB -0.394 31.575 31.823 0.243 0.000 0.662 156 V HN 0.347 nan 8.190 nan 0.000 0.455 157 K N -0.239 120.312 120.400 0.252 0.000 2.057 157 K HA -0.261 4.061 4.320 0.002 0.000 0.207 157 K C 2.283 178.986 176.600 0.172 0.000 1.049 157 K CA 1.718 58.091 56.287 0.143 0.000 0.931 157 K CB -0.192 32.301 32.500 -0.010 0.000 0.714 157 K HN 0.328 nan 8.250 nan 0.000 0.440 158 Q N 1.452 121.331 119.800 0.131 0.000 2.167 158 Q HA -0.152 4.190 4.340 0.002 0.000 0.202 158 Q C 1.236 177.310 176.000 0.124 0.000 0.970 158 Q CA 1.649 57.516 55.803 0.107 0.000 0.855 158 Q CB -0.043 28.740 28.738 0.076 0.000 0.911 158 Q HN 0.194 nan 8.270 nan 0.000 0.438 159 D N -0.839 119.648 120.400 0.145 0.000 2.144 159 D HA -0.130 4.511 4.640 0.002 0.000 0.199 159 D C 1.376 177.710 176.300 0.056 0.000 0.984 159 D CA 0.887 54.942 54.000 0.090 0.000 0.834 159 D CB -0.230 40.614 40.800 0.074 0.000 0.955 159 D HN 0.289 nan 8.370 nan 0.000 0.465 160 F N 0.598 120.587 119.950 0.066 0.000 2.186 160 F HA -0.149 4.379 4.527 0.002 0.000 0.299 160 F C 2.463 178.265 175.800 0.003 0.000 1.090 160 F CA 0.538 58.556 58.000 0.031 0.000 1.307 160 F CB -0.375 38.635 39.000 0.016 0.000 1.019 160 F HN -0.173 nan 8.300 nan 0.000 0.489 161 V N -0.121 119.909 119.914 0.193 0.000 2.295 161 V HA -0.290 3.831 4.120 0.002 0.000 0.246 161 V C 1.944 178.095 176.094 0.096 0.000 1.049 161 V CA 2.068 64.440 62.300 0.119 0.000 1.024 161 V CB -0.545 31.333 31.823 0.092 0.000 0.648 161 V HN 0.244 nan 8.190 nan 0.000 0.447 162 D N 0.415 120.864 120.400 0.082 0.000 2.144 162 D HA -0.121 4.521 4.640 0.002 0.000 0.199 162 D C 2.219 178.552 176.300 0.055 0.000 0.984 162 D CA 1.619 55.660 54.000 0.069 0.000 0.834 162 D CB -0.283 40.557 40.800 0.067 0.000 0.955 162 D HN 0.450 nan 8.370 nan 0.000 0.465 163 A N 1.099 123.931 122.820 0.020 0.000 1.902 163 A HA -0.035 4.286 4.320 0.002 0.000 0.217 163 A C 2.324 179.901 177.584 -0.012 0.000 1.181 163 A CA 2.129 54.146 52.037 -0.032 0.000 0.623 163 A CB -0.609 18.311 19.000 -0.133 0.000 0.818 163 A HN 0.240 nan 8.150 nan 0.000 0.443 164 A N -0.686 122.150 122.820 0.026 0.000 1.898 164 A HA -0.121 4.201 4.320 0.002 0.000 0.216 164 A C 2.271 179.992 177.584 0.229 0.000 1.181 164 A CA 1.535 53.619 52.037 0.078 0.000 0.620 164 A CB -0.482 18.562 19.000 0.074 0.000 0.819 164 A HN 0.384 nan 8.150 nan 0.000 0.442 165 R N 0.260 120.859 120.500 0.166 0.000 2.081 165 R HA -0.076 4.266 4.340 0.002 0.000 0.235 165 R C 2.195 178.581 176.300 0.143 0.000 1.131 165 R CA 1.719 57.910 56.100 0.152 0.000 0.960 165 R CB -0.467 29.895 30.300 0.102 0.000 0.856 165 R HN 0.590 nan 8.270 nan 0.000 0.436 166 R N -0.306 120.266 120.500 0.119 0.000 2.092 166 R HA -0.028 4.313 4.340 0.002 0.000 0.231 166 R C 2.337 178.741 176.300 0.173 0.000 1.119 166 R CA 1.339 57.511 56.100 0.120 0.000 0.970 166 R CB -0.335 30.018 30.300 0.089 0.000 0.864 166 R HN 0.236 nan 8.270 nan 0.000 0.440 167 A N 1.297 124.226 122.820 0.181 0.000 1.902 167 A HA -0.202 4.120 4.320 0.002 0.000 0.217 167 A C 2.131 180.005 177.584 0.483 0.000 1.181 167 A CA 1.369 53.589 52.037 0.304 0.000 0.623 167 A CB -0.507 18.530 19.000 0.063 0.000 0.818 167 A HN 0.240 nan 8.150 nan 0.000 0.443 168 R N -0.243 120.516 120.500 0.431 0.000 2.080 168 R HA -0.188 4.153 4.340 0.002 0.000 0.236 168 R C 1.236 177.600 176.300 0.107 0.000 1.137 168 R CA 2.052 58.274 56.100 0.204 0.000 0.943 168 R CB -0.475 29.857 30.300 0.055 0.000 0.846 168 R HN 0.419 nan 8.270 nan 0.000 0.431 169 D N 0.024 120.489 120.400 0.107 0.000 2.310 169 D HA -0.081 4.561 4.640 0.002 0.000 0.212 169 D C 1.366 177.710 176.300 0.072 0.000 0.965 169 D CA 1.148 55.187 54.000 0.066 0.000 0.879 169 D CB 0.024 40.862 40.800 0.062 0.000 0.921 169 D HN 0.418 nan 8.370 nan 0.000 0.510 170 A N -0.374 122.521 122.820 0.125 0.000 2.169 170 A HA 0.395 4.716 4.320 0.002 0.000 0.212 170 A C 1.834 179.394 177.584 -0.039 0.000 1.153 170 A CA 1.186 53.276 52.037 0.087 0.000 0.756 170 A CB 0.057 19.176 19.000 0.199 0.000 0.813 170 A HN 0.258 nan 8.150 nan 0.000 0.471 171 G N -2.310 106.486 108.800 -0.006 0.000 2.184 171 G HA2 -0.183 3.778 3.960 0.002 0.000 0.206 171 G HA3 -0.183 3.778 3.960 0.002 0.000 0.206 171 G C 0.001 174.864 174.900 -0.061 0.000 0.995 171 G CA -0.188 44.870 45.100 -0.070 0.000 0.651 171 G HN 0.247 nan 8.290 nan 0.000 0.511 172 F N 1.509 121.530 119.950 0.119 0.000 2.563 172 F HA 0.406 4.934 4.527 0.002 0.000 0.363 172 F C 1.607 177.561 175.800 0.258 0.000 1.123 172 F CA 0.862 58.979 58.000 0.194 0.000 1.307 172 F CB 0.663 39.799 39.000 0.226 0.000 1.115 172 F HN 0.158 nan 8.300 nan 0.000 0.592 173 E N 1.992 122.480 120.200 0.479 0.000 2.603 173 E HA 0.030 4.381 4.350 0.002 0.000 0.211 173 E C -0.830 176.142 176.600 0.620 0.000 0.995 173 E CA -0.016 56.620 56.400 0.393 0.000 0.990 173 E CB 0.897 30.744 29.700 0.245 0.000 1.036 173 E HN 0.488 nan 8.360 nan 0.000 0.475 174 W N 1.199 122.785 121.300 0.476 0.000 3.615 174 W HA 0.477 5.138 4.660 0.002 0.000 0.319 174 W C -2.268 174.264 176.519 0.021 0.000 1.172 174 W CA -0.757 56.763 57.345 0.293 0.000 1.240 174 W CB 0.958 30.514 29.460 0.160 0.000 1.313 174 W HN -0.145 nan 8.180 nan 0.000 0.487 175 I N 4.538 124.925 120.570 -0.303 0.000 2.608 175 I HA 0.420 4.591 4.170 0.002 0.000 0.295 175 I C -1.033 174.798 176.117 -0.477 0.000 1.049 175 I CA -0.466 60.470 61.300 -0.607 0.000 1.063 175 I CB 2.239 39.341 38.000 -1.496 0.000 1.248 175 I HN 0.484 nan 8.210 nan 0.000 0.424 176 E N 7.641 127.647 120.200 -0.323 0.000 2.244 176 E HA 0.386 4.737 4.350 0.002 0.000 0.260 176 E C -1.712 174.697 176.600 -0.318 0.000 0.884 176 E CA -0.674 55.567 56.400 -0.265 0.000 0.777 176 E CB 1.513 31.167 29.700 -0.076 0.000 1.197 176 E HN 0.569 nan 8.360 nan 0.000 0.416 177 L N 4.076 125.023 121.223 -0.461 0.000 2.319 177 L HA 0.205 4.546 4.340 0.002 0.000 0.280 177 L C 0.319 176.894 176.870 -0.492 0.000 1.099 177 L CA -0.633 53.865 54.840 -0.569 0.000 0.828 177 L CB 0.392 41.775 42.059 -1.127 0.000 1.150 177 L HN 0.511 nan 8.230 nan 0.000 0.442 178 H N 4.631 123.576 119.070 -0.207 0.000 3.118 178 H HA 0.139 4.696 4.556 0.002 0.000 0.266 178 H C -0.366 175.133 175.328 0.284 0.000 1.465 178 H CA -0.636 55.433 56.048 0.035 0.000 1.460 178 H CB 0.037 29.898 29.762 0.165 0.000 1.661 178 H HN 0.305 nan 8.280 nan 0.000 0.516 179 F N 2.208 122.397 119.950 0.398 0.000 2.750 179 F HA 0.448 4.976 4.527 0.002 0.000 0.297 179 F C 0.860 176.941 175.800 0.469 0.000 1.138 179 F CA -0.335 57.873 58.000 0.347 0.000 1.346 179 F CB -0.590 38.512 39.000 0.170 0.000 0.965 179 F HN 0.469 nan 8.300 nan 0.000 0.514 180 A N -1.861 121.328 122.820 0.615 0.000 2.443 180 A HA 0.650 4.971 4.320 0.002 0.000 0.278 180 A C 0.094 177.883 177.584 0.341 0.000 1.252 180 A CA -0.600 51.674 52.037 0.395 0.000 0.816 180 A CB 0.389 19.460 19.000 0.119 0.000 1.369 180 A HN 0.538 nan 8.150 nan 0.000 0.446 181 H N -1.162 118.151 119.070 0.406 0.000 2.861 181 H HA -0.210 4.347 4.556 0.002 0.000 0.289 181 H C 1.258 176.487 175.328 -0.166 0.000 1.176 181 H CA 1.040 57.273 56.048 0.308 0.000 1.146 181 H CB -1.474 28.521 29.762 0.388 0.000 1.330 181 H HN 2.269 nan 8.280 nan 0.000 0.379 182 G N -1.772 107.094 108.800 0.110 0.000 2.162 182 G HA2 -0.388 3.573 3.960 0.002 0.000 0.260 182 G HA3 -0.388 3.573 3.960 0.002 0.000 0.260 182 G C 0.152 175.013 174.900 -0.064 0.000 0.976 182 G CA 0.697 45.815 45.100 0.030 0.000 0.655 182 G HN 0.512 nan 8.290 nan 0.000 0.533 183 Y N -1.084 119.327 120.300 0.184 0.000 2.330 183 Y HA 0.546 5.098 4.550 0.002 0.000 0.387 183 Y C 1.914 177.941 175.900 0.211 0.000 1.365 183 Y CA -0.488 57.702 58.100 0.149 0.000 1.828 183 Y CB -0.537 37.947 38.460 0.041 0.000 1.696 183 Y HN 0.028 nan 8.280 nan 0.000 0.616 184 L N 1.060 122.556 121.223 0.455 0.000 1.978 184 L HA -0.184 4.158 4.340 0.002 0.000 0.218 184 L C 2.237 179.341 176.870 0.390 0.000 1.075 184 L CA 2.562 57.599 54.840 0.329 0.000 0.767 184 L CB -1.385 40.850 42.059 0.294 0.000 0.890 184 L HN 0.847 nan 8.230 nan 0.000 0.434 185 G N -1.895 107.222 108.800 0.528 0.000 2.459 185 G HA2 -0.393 3.568 3.960 0.002 0.000 0.217 185 G HA3 -0.393 3.568 3.960 0.002 0.000 0.217 185 G C 1.496 176.650 174.900 0.424 0.000 1.183 185 G CA 0.952 46.339 45.100 0.478 0.000 0.776 185 G HN 0.497 nan 8.290 nan 0.000 0.552 186 Q N 1.272 121.348 119.800 0.459 0.000 2.096 186 Q HA -0.131 4.211 4.340 0.002 0.000 0.204 186 Q C 2.711 178.945 176.000 0.390 0.000 0.982 186 Q CA 2.245 58.328 55.803 0.467 0.000 0.850 186 Q CB -0.406 28.567 28.738 0.393 0.000 0.901 186 Q HN 0.552 nan 8.270 nan 0.000 0.422 187 S N -1.275 114.590 115.700 0.276 0.000 2.447 187 S HA -0.095 4.377 4.470 0.002 0.000 0.233 187 S C 1.644 176.278 174.600 0.057 0.000 1.006 187 S CA 0.724 59.008 58.200 0.139 0.000 0.957 187 S CB -0.521 62.703 63.200 0.040 0.000 0.773 187 S HN 0.394 nan 8.310 nan 0.000 0.507 188 F N 0.498 120.516 119.950 0.114 0.000 2.293 188 F HA 0.248 4.777 4.527 0.002 0.000 0.297 188 F C 1.904 177.805 175.800 0.168 0.000 1.089 188 F CA 0.447 58.496 58.000 0.081 0.000 1.377 188 F CB -0.419 38.604 39.000 0.040 0.000 1.051 188 F HN 0.257 nan 8.300 nan 0.000 0.511 189 F N -0.029 120.086 119.950 0.275 0.000 2.206 189 F HA 0.060 4.588 4.527 0.002 0.000 0.298 189 F C 1.658 177.569 175.800 0.185 0.000 1.090 189 F CA 0.492 58.625 58.000 0.221 0.000 1.323 189 F CB -0.537 38.653 39.000 0.316 0.000 1.028 189 F HN -0.268 nan 8.300 nan 0.000 0.492 190 S N 0.674 116.497 115.700 0.204 0.000 2.528 190 S HA 0.032 4.504 4.470 0.002 0.000 0.277 190 S C 1.092 175.684 174.600 -0.012 0.000 1.297 190 S CA -0.384 57.866 58.200 0.082 0.000 1.052 190 S CB 0.544 63.873 63.200 0.215 0.000 0.917 190 S HN 0.433 nan 8.310 nan 0.000 0.492 191 E N 2.916 123.046 120.200 -0.117 0.000 2.338 191 E HA -0.123 4.228 4.350 0.002 0.000 0.197 191 E C 1.179 177.714 176.600 -0.108 0.000 1.007 191 E CA 0.632 56.950 56.400 -0.138 0.000 0.849 191 E CB -0.035 29.547 29.700 -0.197 0.000 0.774 191 E HN 0.704 nan 8.360 nan 0.000 0.506 192 H N -0.120 118.937 119.070 -0.022 0.000 2.353 192 H HA -0.053 4.505 4.556 0.002 0.000 0.300 192 H C 2.328 177.645 175.328 -0.019 0.000 1.090 192 H CA 1.816 57.853 56.048 -0.019 0.000 1.327 192 H CB 0.170 29.929 29.762 -0.006 0.000 1.383 192 H HN 0.192 nan 8.280 nan 0.000 0.508 193 S N -0.490 115.280 115.700 0.117 0.000 2.505 193 S HA 0.013 4.484 4.470 0.002 0.000 0.216 193 S C 0.785 175.360 174.600 -0.042 0.000 1.018 193 S CA -0.446 57.778 58.200 0.040 0.000 0.911 193 S CB 0.381 63.614 63.200 0.054 0.000 0.818 193 S HN 0.100 nan 8.310 nan 0.000 0.497 194 N N 1.975 120.649 118.700 -0.044 0.000 2.501 194 N HA 0.314 5.056 4.740 0.002 0.000 0.245 194 N C -0.361 175.121 175.510 -0.046 0.000 0.974 194 N CA -0.232 52.771 53.050 -0.078 0.000 0.941 194 N CB 0.922 39.379 38.487 -0.049 0.000 1.122 194 N HN 0.036 nan 8.380 nan 0.000 0.507 195 K N 2.541 122.914 120.400 -0.045 0.000 2.455 195 K HA 0.221 4.542 4.320 0.002 0.000 0.206 195 K C 0.228 176.820 176.600 -0.013 0.000 1.027 195 K CA -0.251 56.020 56.287 -0.027 0.000 1.113 195 K CB 0.714 33.199 32.500 -0.025 0.000 0.850 195 K HN 0.432 nan 8.250 nan 0.000 0.503 196 R N 0.892 121.392 120.500 -0.001 0.000 2.734 196 R HA 0.031 4.372 4.340 0.002 0.000 0.266 196 R C 1.086 177.407 176.300 0.034 0.000 1.044 196 R CA 0.735 56.854 56.100 0.031 0.000 1.128 196 R CB 0.159 30.510 30.300 0.085 0.000 1.010 196 R HN 0.099 nan 8.270 nan 0.000 0.461 197 T N -3.467 111.109 114.554 0.037 0.000 3.040 197 T HA 0.037 4.388 4.350 0.002 0.000 0.266 197 T C 0.170 174.891 174.700 0.034 0.000 1.005 197 T CA -0.454 61.661 62.100 0.026 0.000 0.906 197 T CB -0.095 68.782 68.868 0.015 0.000 1.082 197 T HN 0.645 nan 8.240 nan 0.000 0.531 198 D N 1.750 122.189 120.400 0.065 0.000 2.475 198 D HA 0.540 5.181 4.640 0.002 0.000 0.286 198 D C 1.719 178.042 176.300 0.038 0.000 1.205 198 D CA -0.372 53.670 54.000 0.070 0.000 1.092 198 D CB -0.048 40.827 40.800 0.125 0.000 1.147 198 D HN 0.029 nan 8.370 nan 0.000 0.575 199 A N -1.631 121.189 122.820 -0.001 0.000 2.172 199 A HA -0.089 4.232 4.320 0.002 0.000 0.216 199 A C 1.028 178.378 177.584 -0.389 0.000 1.154 199 A CA 0.830 52.743 52.037 -0.206 0.000 0.701 199 A CB -0.996 17.817 19.000 -0.312 0.000 0.789 199 A HN 0.519 nan 8.150 nan 0.000 0.465 200 Y N -0.919 119.414 120.300 0.054 0.000 2.555 200 Y HA 0.440 4.991 4.550 0.002 0.000 0.259 200 Y C 1.156 177.138 175.900 0.137 0.000 1.179 200 Y CA 0.062 58.222 58.100 0.100 0.000 1.230 200 Y CB 0.501 39.059 38.460 0.163 0.000 1.146 200 Y HN 0.294 nan 8.280 nan 0.000 0.526 201 G N -1.952 106.932 108.800 0.140 0.000 2.692 201 G HA2 0.515 4.476 3.960 0.002 0.000 0.291 201 G HA3 0.515 4.476 3.960 0.002 0.000 0.291 201 G C 0.134 175.049 174.900 0.024 0.000 1.423 201 G CA -0.156 44.998 45.100 0.091 0.000 0.843 201 G HN 0.332 nan 8.290 nan 0.000 0.486 202 G N 0.015 108.816 108.800 0.001 0.000 3.355 202 G HA2 0.053 4.015 3.960 0.002 0.000 0.247 202 G HA3 0.053 4.015 3.960 0.002 0.000 0.247 202 G C 1.117 176.004 174.900 -0.021 0.000 1.818 202 G CA 0.745 45.837 45.100 -0.014 0.000 1.309 202 G HN 2.320 nan 8.290 nan 0.000 0.546 203 S N 0.763 116.455 115.700 -0.014 0.000 2.617 203 S HA 0.536 5.007 4.470 0.002 0.000 0.259 203 S C 1.152 175.764 174.600 0.021 0.000 1.301 203 S CA 0.712 58.919 58.200 0.012 0.000 0.984 203 S CB 1.052 64.261 63.200 0.016 0.000 0.954 203 S HN 1.547 nan 8.310 nan 0.000 0.572 204 F N 1.292 121.199 119.950 -0.071 0.000 2.134 204 F HA -0.076 4.453 4.527 0.003 0.000 0.299 204 F C 1.718 177.510 175.800 -0.013 0.000 1.097 204 F CA 2.046 60.006 58.000 -0.067 0.000 1.264 204 F CB -0.743 38.237 39.000 -0.034 0.000 1.001 204 F HN 0.582 nan 8.300 nan 0.000 0.479 205 D N 0.286 120.587 120.400 -0.164 0.000 2.117 205 D HA -0.175 4.467 4.640 0.002 0.000 0.197 205 D C 1.873 178.031 176.300 -0.237 0.000 0.987 205 D CA 1.336 55.179 54.000 -0.262 0.000 0.829 205 D CB -0.536 40.210 40.800 -0.089 0.000 0.961 205 D HN 0.312 nan 8.370 nan 0.000 0.460 206 N N 0.516 119.124 118.700 -0.154 0.000 2.188 206 N HA -0.042 4.699 4.740 0.002 0.000 0.184 206 N C 1.742 177.212 175.510 -0.065 0.000 1.018 206 N CA 0.561 53.528 53.050 -0.138 0.000 0.858 206 N CB -0.126 38.309 38.487 -0.087 0.000 0.989 206 N HN 0.176 nan 8.380 nan 0.000 0.426 207 R N -0.068 120.397 120.500 -0.058 0.000 2.148 207 R HA 0.145 4.486 4.340 0.002 0.000 0.223 207 R C 1.681 178.049 176.300 0.112 0.000 1.088 207 R CA 0.814 56.936 56.100 0.036 0.000 0.985 207 R CB 0.001 30.234 30.300 -0.111 0.000 0.880 207 R HN 0.122 nan 8.270 nan 0.000 0.451 208 S N 0.303 115.958 115.700 -0.075 0.000 2.470 208 S HA -0.007 4.464 4.470 0.002 0.000 0.225 208 S C 1.638 176.155 174.600 -0.139 0.000 1.006 208 S CA 0.273 58.404 58.200 -0.116 0.000 0.934 208 S CB 0.024 62.935 63.200 -0.482 0.000 0.778 208 S HN 0.280 nan 8.310 nan 0.000 0.517 209 R N 0.639 121.063 120.500 -0.127 0.000 2.112 209 R HA -0.196 4.145 4.340 0.002 0.000 0.242 209 R C 2.036 178.314 176.300 -0.038 0.000 1.137 209 R CA 1.929 57.953 56.100 -0.127 0.000 0.944 209 R CB -0.488 29.645 30.300 -0.279 0.000 0.857 209 R HN 0.443 nan 8.270 nan 0.000 0.435 210 F N 0.947 120.833 119.950 -0.107 0.000 2.126 210 F HA -0.202 4.326 4.527 0.002 0.000 0.299 210 F C 1.668 177.219 175.800 -0.415 0.000 1.096 210 F CA 1.464 59.256 58.000 -0.347 0.000 1.255 210 F CB -0.255 38.147 39.000 -0.996 0.000 0.997 210 F HN -0.007 nan 8.300 nan 0.000 0.479 211 L N -0.008 120.910 121.223 -0.508 0.000 2.056 211 L HA -0.181 4.160 4.340 0.002 0.000 0.207 211 L C 2.418 179.058 176.870 -0.384 0.000 1.078 211 L CA 1.431 55.782 54.840 -0.814 0.000 0.749 211 L CB -1.128 40.504 42.059 -0.712 0.000 0.901 211 L HN 0.155 nan 8.230 nan 0.000 0.433 212 L N -0.928 120.181 121.223 -0.191 0.000 2.056 212 L HA -0.177 4.164 4.340 0.002 0.000 0.207 212 L C 2.539 179.333 176.870 -0.128 0.000 1.078 212 L CA 1.183 55.982 54.840 -0.070 0.000 0.749 212 L CB -0.493 41.510 42.059 -0.093 0.000 0.901 212 L HN 0.332 nan 8.230 nan 0.000 0.433 213 E N -0.615 119.469 120.200 -0.194 0.000 2.106 213 E HA -0.161 4.191 4.350 0.002 0.000 0.192 213 E C 2.096 178.556 176.600 -0.233 0.000 0.984 213 E CA 1.599 57.897 56.400 -0.170 0.000 0.806 213 E CB -0.058 29.572 29.700 -0.117 0.000 0.750 213 E HN 0.434 nan 8.360 nan 0.000 0.458 214 T N 1.684 115.985 114.554 -0.422 0.000 2.777 214 T HA -0.128 4.224 4.350 0.002 0.000 0.266 214 T C 1.847 176.415 174.700 -0.220 0.000 1.040 214 T CA 0.734 62.573 62.100 -0.435 0.000 1.141 214 T CB -0.188 68.185 68.868 -0.825 0.000 0.868 214 T HN 0.043 nan 8.240 nan 0.000 0.444 215 L N 1.622 122.755 121.223 -0.150 0.000 2.017 215 L HA 0.066 4.408 4.340 0.002 0.000 0.208 215 L C 2.588 179.405 176.870 -0.088 0.000 1.073 215 L CA 1.997 56.767 54.840 -0.118 0.000 0.745 215 L CB -1.060 40.943 42.059 -0.093 0.000 0.894 215 L HN 0.209 nan 8.230 nan 0.000 0.432 216 A N -0.470 122.308 122.820 -0.070 0.000 1.902 216 A HA -0.090 4.232 4.320 0.002 0.000 0.217 216 A C 2.443 180.008 177.584 -0.031 0.000 1.181 216 A CA 1.850 53.862 52.037 -0.041 0.000 0.623 216 A CB -1.179 17.798 19.000 -0.039 0.000 0.818 216 A HN 0.605 nan 8.150 nan 0.000 0.443 217 A N -0.721 122.071 122.820 -0.046 0.000 1.898 217 A HA 0.040 4.361 4.320 0.002 0.000 0.216 217 A C 2.210 179.799 177.584 0.009 0.000 1.181 217 A CA 1.669 53.695 52.037 -0.018 0.000 0.620 217 A CB -0.825 18.158 19.000 -0.029 0.000 0.819 217 A HN 0.367 nan 8.150 nan 0.000 0.442 218 V N 0.001 119.911 119.914 -0.007 0.000 2.427 218 V HA -0.218 3.903 4.120 0.002 0.000 0.248 218 V C 2.590 178.725 176.094 0.069 0.000 1.051 218 V CA 2.089 64.403 62.300 0.024 0.000 1.048 218 V CB -0.772 31.023 31.823 -0.047 0.000 0.666 218 V HN 0.643 nan 8.190 nan 0.000 0.456 219 R N 0.103 120.624 120.500 0.035 0.000 2.159 219 R HA -0.203 4.139 4.340 0.002 0.000 0.237 219 R C 2.136 178.484 176.300 0.080 0.000 1.131 219 R CA 1.686 57.829 56.100 0.071 0.000 0.982 219 R CB -0.128 30.186 30.300 0.024 0.000 0.868 219 R HN 0.637 nan 8.270 nan 0.000 0.453 220 E N -0.329 119.905 120.200 0.056 0.000 2.204 220 E HA -0.126 4.225 4.350 0.002 0.000 0.194 220 E C 1.706 178.339 176.600 0.056 0.000 0.989 220 E CA 1.451 57.877 56.400 0.044 0.000 0.824 220 E CB 0.288 30.007 29.700 0.031 0.000 0.756 220 E HN 0.383 nan 8.360 nan 0.000 0.477 221 V N -3.049 116.921 119.914 0.094 0.000 3.645 221 V HA 0.167 4.288 4.120 0.002 0.000 0.275 221 V C 0.567 176.746 176.094 0.142 0.000 1.356 221 V CA -0.607 61.753 62.300 0.099 0.000 1.051 221 V CB -0.128 31.759 31.823 0.108 0.000 0.828 221 V HN 0.193 nan 8.190 nan 0.000 0.441 222 W N 3.213 124.498 121.300 -0.024 0.000 2.322 222 W HA 0.469 5.130 4.660 0.002 0.000 0.307 222 W C -2.713 173.786 176.519 -0.034 0.000 1.220 222 W CA -2.410 54.916 57.345 -0.032 0.000 1.210 222 W CB 1.344 30.771 29.460 -0.056 0.000 1.223 222 W HN 0.161 nan 8.180 nan 0.000 0.511 223 P HA -0.156 nan 4.420 nan 0.000 0.262 223 P C 0.605 177.709 177.300 -0.326 0.000 1.182 223 P CA 0.744 63.559 63.100 -0.476 0.000 0.761 223 P CB 0.668 32.023 31.700 -0.575 0.000 0.795 224 E N 4.112 124.222 120.200 -0.150 0.000 2.160 224 E HA -0.244 4.107 4.350 0.002 0.000 0.195 224 E C 1.312 177.866 176.600 -0.076 0.000 0.991 224 E CA 1.638 57.995 56.400 -0.070 0.000 0.810 224 E CB -0.445 29.225 29.700 -0.049 0.000 0.742 224 E HN 0.419 nan 8.360 nan 0.000 0.466 225 N N 0.380 119.011 118.700 -0.115 0.000 2.461 225 N HA -0.038 4.703 4.740 0.002 0.000 0.188 225 N C -0.233 175.228 175.510 -0.081 0.000 1.134 225 N CA 0.210 53.207 53.050 -0.088 0.000 0.878 225 N CB -0.050 38.387 38.487 -0.084 0.000 0.972 225 N HN 0.191 nan 8.380 nan 0.000 0.456 226 L N 0.745 121.900 121.223 -0.114 0.000 2.341 226 L HA 0.491 4.832 4.340 0.002 0.000 0.278 226 L C -2.484 174.498 176.870 0.187 0.000 1.005 226 L CA -2.365 52.472 54.840 -0.005 0.000 0.818 226 L CB 2.102 44.042 42.059 -0.198 0.000 1.259 226 L HN -0.276 nan 8.230 nan 0.000 0.418 227 P HA -0.064 nan 4.420 nan 0.000 0.260 227 P C -0.874 176.290 177.300 -0.227 0.000 1.172 227 P CA 0.032 62.987 63.100 -0.242 0.000 0.760 227 P CB 0.366 31.594 31.700 -0.787 0.000 0.773 228 L N 5.611 126.692 121.223 -0.237 0.000 2.276 228 L HA 0.564 4.905 4.340 0.002 0.000 0.286 228 L C 0.083 176.694 176.870 -0.432 0.000 1.024 228 L CA 0.172 54.797 54.840 -0.357 0.000 0.826 228 L CB 0.585 42.559 42.059 -0.142 0.000 1.211 228 L HN 0.430 nan 8.230 nan 0.000 0.422 229 T N 2.056 116.290 114.554 -0.532 0.000 2.858 229 T HA 1.012 5.363 4.350 0.002 0.000 0.285 229 T C -0.598 173.858 174.700 -0.406 0.000 1.052 229 T CA -0.277 61.578 62.100 -0.408 0.000 1.009 229 T CB 1.815 70.475 68.868 -0.346 0.000 1.241 229 T HN 1.004 nan 8.240 nan 0.000 0.542 230 A N 0.449 123.077 122.820 -0.320 0.000 2.594 230 A HA 0.807 5.128 4.320 0.002 0.000 0.295 230 A C -0.935 176.565 177.584 -0.140 0.000 1.071 230 A CA -1.016 50.794 52.037 -0.378 0.000 0.685 230 A CB 1.627 20.247 19.000 -0.634 0.000 1.285 230 A HN 1.013 nan 8.150 nan 0.000 0.405 231 R N 0.494 120.947 120.500 -0.079 0.000 2.460 231 R HA 0.719 5.061 4.340 0.002 0.000 0.303 231 R C -1.930 174.544 176.300 0.291 0.000 0.968 231 R CA -0.379 55.764 56.100 0.071 0.000 0.889 231 R CB 1.063 31.338 30.300 -0.041 0.000 1.123 231 R HN 0.738 nan 8.270 nan 0.000 0.455 232 F N 2.002 122.028 119.950 0.126 0.000 2.588 232 F HA 0.472 5.000 4.527 0.002 0.000 0.314 232 F C -0.686 175.212 175.800 0.162 0.000 1.134 232 F CA -0.979 57.142 58.000 0.202 0.000 0.961 232 F CB 2.017 41.175 39.000 0.263 0.000 1.239 232 F HN 0.593 nan 8.300 nan 0.000 0.448 233 G N 3.894 112.559 108.800 -0.224 0.000 2.351 233 G HA2 0.457 4.419 3.960 0.002 0.000 0.287 233 G HA3 0.457 4.419 3.960 0.002 0.000 0.287 233 G C 0.509 174.959 174.900 -0.750 0.000 1.159 233 G CA -0.040 44.885 45.100 -0.293 0.000 0.929 233 G HN 1.124 nan 8.290 nan 0.000 0.435 234 V N 1.187 120.797 119.914 -0.506 0.000 3.608 234 V HA 0.466 4.587 4.120 0.002 0.000 0.269 234 V C 0.668 176.608 176.094 -0.257 0.000 1.245 234 V CA 0.710 62.743 62.300 -0.444 0.000 1.138 234 V CB -1.494 30.193 31.823 -0.226 0.000 0.841 234 V HN 0.729 nan 8.190 nan 0.000 0.451 235 L N -4.082 116.983 121.223 -0.263 0.000 2.622 235 L HA 0.700 5.042 4.340 0.002 0.000 0.258 235 L C 0.075 176.777 176.870 -0.280 0.000 0.996 235 L CA -0.600 54.073 54.840 -0.277 0.000 0.858 235 L CB 1.870 43.673 42.059 -0.426 0.000 1.449 235 L HN -0.172 nan 8.230 nan 0.000 0.411 236 E N 0.551 120.613 120.200 -0.229 0.000 2.465 236 E HA 0.100 4.452 4.350 0.002 0.000 0.209 236 E C -0.803 175.764 176.600 -0.056 0.000 0.951 236 E CA 0.129 56.454 56.400 -0.125 0.000 0.997 236 E CB 0.463 30.158 29.700 -0.009 0.000 1.025 236 E HN 0.683 nan 8.360 nan 0.000 0.500 237 Y N 1.778 122.015 120.300 -0.105 0.000 3.380 237 Y HA -0.182 4.370 4.550 0.002 0.000 0.211 237 Y C 0.236 176.085 175.900 -0.085 0.000 1.394 237 Y CA 0.646 58.676 58.100 -0.117 0.000 1.479 237 Y CB -2.069 36.272 38.460 -0.198 0.000 1.483 237 Y HN 0.172 nan 8.280 nan 0.000 0.566 238 D N -1.533 118.891 120.400 0.040 0.000 2.501 238 D HA 0.423 5.064 4.640 0.002 0.000 0.224 238 D C 1.632 177.962 176.300 0.050 0.000 1.202 238 D CA 0.420 54.448 54.000 0.046 0.000 0.829 238 D CB 0.233 41.084 40.800 0.084 0.000 1.023 238 D HN 0.598 nan 8.370 nan 0.000 0.499 239 G N 1.235 110.053 108.800 0.030 0.000 2.176 239 G HA2 -0.342 3.619 3.960 0.002 0.000 0.253 239 G HA3 -0.342 3.619 3.960 0.002 0.000 0.253 239 G C 0.832 175.734 174.900 0.002 0.000 0.979 239 G CA 0.030 45.140 45.100 0.017 0.000 0.641 239 G HN 0.445 nan 8.290 nan 0.000 0.530 240 R N 0.090 120.589 120.500 -0.003 0.000 2.700 240 R HA 0.248 4.590 4.340 0.002 0.000 0.399 240 R C 0.776 177.048 176.300 -0.047 0.000 1.115 240 R CA -0.093 55.993 56.100 -0.023 0.000 1.058 240 R CB 0.281 30.567 30.300 -0.024 0.000 1.389 240 R HN 0.172 nan 8.270 nan 0.000 0.582 241 D N 1.539 121.897 120.400 -0.070 0.000 2.104 241 D HA -0.212 4.429 4.640 0.002 0.000 0.194 241 D C 1.683 177.928 176.300 -0.092 0.000 0.994 241 D CA 1.428 55.355 54.000 -0.123 0.000 0.830 241 D CB 0.287 40.981 40.800 -0.176 0.000 0.959 241 D HN 0.178 nan 8.370 nan 0.000 0.452 242 E N 0.871 121.033 120.200 -0.063 0.000 2.051 242 E HA -0.196 4.155 4.350 0.002 0.000 0.192 242 E C 2.014 178.586 176.600 -0.047 0.000 0.991 242 E CA 1.401 57.770 56.400 -0.050 0.000 0.799 242 E CB -0.130 29.548 29.700 -0.038 0.000 0.748 242 E HN 0.194 nan 8.360 nan 0.000 0.449 243 Q N -0.698 119.074 119.800 -0.046 0.000 2.079 243 Q HA -0.053 4.288 4.340 0.002 0.000 0.200 243 Q C 2.284 178.265 176.000 -0.033 0.000 0.974 243 Q CA 2.139 57.913 55.803 -0.048 0.000 0.840 243 Q CB -0.558 28.149 28.738 -0.053 0.000 0.898 243 Q HN 0.237 nan 8.270 nan 0.000 0.430 244 T N 1.009 115.547 114.554 -0.026 0.000 2.777 244 T HA -0.102 4.250 4.350 0.002 0.000 0.266 244 T C 1.632 176.360 174.700 0.046 0.000 1.040 244 T CA 0.944 63.055 62.100 0.020 0.000 1.141 244 T CB -0.300 68.567 68.868 -0.003 0.000 0.868 244 T HN 0.095 nan 8.240 nan 0.000 0.444 245 L N 1.409 122.622 121.223 -0.018 0.000 2.083 245 L HA 0.000 4.342 4.340 0.002 0.000 0.209 245 L C 2.432 179.309 176.870 0.012 0.000 1.083 245 L CA 1.806 56.633 54.840 -0.020 0.000 0.752 245 L CB -0.649 41.375 42.059 -0.058 0.000 0.899 245 L HN 0.292 nan 8.230 nan 0.000 0.433 246 E N -0.643 119.551 120.200 -0.009 0.000 2.077 246 E HA -0.256 4.095 4.350 0.002 0.000 0.193 246 E C 1.997 178.579 176.600 -0.031 0.000 0.989 246 E CA 1.563 57.945 56.400 -0.031 0.000 0.800 246 E CB -0.093 29.570 29.700 -0.062 0.000 0.746 246 E HN 0.631 nan 8.360 nan 0.000 0.452 247 E N -0.178 120.029 120.200 0.011 0.000 2.106 247 E HA -0.111 4.241 4.350 0.002 0.000 0.192 247 E C 2.227 179.067 176.600 0.400 0.000 0.984 247 E CA 1.086 57.534 56.400 0.079 0.000 0.806 247 E CB 0.087 29.906 29.700 0.198 0.000 0.750 247 E HN 0.157 nan 8.360 nan 0.000 0.458 248 S N 0.872 116.798 115.700 0.376 0.000 2.368 248 S HA -0.106 4.366 4.470 0.002 0.000 0.224 248 S C 2.018 176.758 174.600 0.234 0.000 1.029 248 S CA 0.742 59.156 58.200 0.356 0.000 0.988 248 S CB -0.115 63.175 63.200 0.149 0.000 0.838 248 S HN 0.210 nan 8.310 nan 0.000 0.462 249 I N 1.184 121.831 120.570 0.129 0.000 2.315 249 I HA -0.145 4.026 4.170 0.002 0.000 0.248 249 I C 2.661 178.810 176.117 0.053 0.000 1.117 249 I CA 1.129 62.477 61.300 0.079 0.000 1.404 249 I CB -0.253 37.770 38.000 0.039 0.000 1.071 249 I HN 0.225 nan 8.210 nan 0.000 0.419 250 E N 1.266 121.493 120.200 0.045 0.000 2.072 250 E HA -0.233 4.118 4.350 0.002 0.000 0.191 250 E C 1.983 178.645 176.600 0.103 0.000 0.985 250 E CA 1.182 57.603 56.400 0.034 0.000 0.801 250 E CB -0.229 29.396 29.700 -0.124 0.000 0.750 250 E HN 0.290 nan 8.360 nan 0.000 0.452 251 L N 0.107 121.405 121.223 0.125 0.000 2.093 251 L HA 0.048 4.390 4.340 0.002 0.000 0.208 251 L C 2.107 178.601 176.870 -0.627 0.000 1.085 251 L CA 2.026 56.692 54.840 -0.291 0.000 0.755 251 L CB -0.937 40.753 42.059 -0.615 0.000 0.904 251 L HN 0.170 nan 8.230 nan 0.000 0.435 252 A N -0.403 122.258 122.820 -0.265 0.000 1.933 252 A HA -0.220 4.102 4.320 0.002 0.000 0.218 252 A C 2.411 179.997 177.584 0.002 0.000 1.175 252 A CA 1.743 53.753 52.037 -0.045 0.000 0.628 252 A CB -0.512 18.567 19.000 0.133 0.000 0.814 252 A HN 0.505 nan 8.150 nan 0.000 0.444 253 R N -0.734 119.757 120.500 -0.016 0.000 2.092 253 R HA -0.065 4.276 4.340 0.002 0.000 0.231 253 R C 2.397 178.699 176.300 0.003 0.000 1.119 253 R CA 1.476 57.584 56.100 0.014 0.000 0.970 253 R CB -0.254 30.055 30.300 0.015 0.000 0.864 253 R HN 0.504 nan 8.270 nan 0.000 0.440 254 R N -0.471 119.991 120.500 -0.063 0.000 2.115 254 R HA -0.058 4.284 4.340 0.002 0.000 0.230 254 R C 1.933 178.250 176.300 0.027 0.000 1.111 254 R CA 1.027 57.093 56.100 -0.057 0.000 0.976 254 R CB -0.201 30.019 30.300 -0.133 0.000 0.870 254 R HN 0.123 nan 8.270 nan 0.000 0.445 255 F N 1.630 121.551 119.950 -0.049 0.000 2.102 255 F HA -0.141 4.387 4.527 0.002 0.000 0.298 255 F C 2.417 178.193 175.800 -0.040 0.000 1.105 255 F CA 0.955 58.917 58.000 -0.063 0.000 1.239 255 F CB -0.724 38.231 39.000 -0.076 0.000 0.991 255 F HN -0.063 nan 8.300 nan 0.000 0.474 256 K N 0.386 120.894 120.400 0.181 0.000 2.032 256 K HA -0.169 4.152 4.320 0.002 0.000 0.209 256 K C 2.214 178.852 176.600 0.063 0.000 1.048 256 K CA 1.416 57.760 56.287 0.096 0.000 0.927 256 K CB -0.330 32.216 32.500 0.076 0.000 0.712 256 K HN 0.162 nan 8.250 nan 0.000 0.441 257 A N 0.479 123.333 122.820 0.056 0.000 2.019 257 A HA -0.056 4.266 4.320 0.002 0.000 0.219 257 A C 2.051 179.656 177.584 0.035 0.000 1.164 257 A CA 1.679 53.737 52.037 0.036 0.000 0.644 257 A CB -0.686 18.330 19.000 0.027 0.000 0.805 257 A HN 0.535 nan 8.150 nan 0.000 0.449 258 G N -2.137 106.695 108.800 0.054 0.000 3.181 258 G HA2 0.388 4.350 3.960 0.002 0.000 0.219 258 G HA3 0.388 4.350 3.960 0.002 0.000 0.219 258 G C 1.032 175.946 174.900 0.023 0.000 1.182 258 G CA 0.456 45.581 45.100 0.043 0.000 0.791 258 G HN 1.594 nan 8.290 nan 0.000 0.537 259 G N -0.851 107.960 108.800 0.019 0.000 2.176 259 G HA2 -0.223 3.738 3.960 0.002 0.000 0.232 259 G HA3 -0.223 3.738 3.960 0.002 0.000 0.232 259 G C 0.260 175.145 174.900 -0.026 0.000 0.986 259 G CA 0.044 45.144 45.100 -0.000 0.000 0.643 259 G HN 0.569 nan 8.290 nan 0.000 0.522 260 L N 1.589 122.796 121.223 -0.027 0.000 2.410 260 L HA 0.454 4.795 4.340 0.002 0.000 0.273 260 L C 1.055 177.892 176.870 -0.056 0.000 1.144 260 L CA 0.455 55.246 54.840 -0.081 0.000 0.863 260 L CB 0.638 42.653 42.059 -0.074 0.000 1.140 260 L HN 0.152 nan 8.230 nan 0.000 0.463 261 D N 4.248 124.584 120.400 -0.107 0.000 2.301 261 D HA 0.130 4.771 4.640 0.002 0.000 0.206 261 D C -0.005 176.267 176.300 -0.047 0.000 0.979 261 D CA 0.702 54.651 54.000 -0.085 0.000 0.874 261 D CB 0.620 41.333 40.800 -0.145 0.000 0.968 261 D HN 0.383 nan 8.370 nan 0.000 0.510 262 L N 0.176 121.354 121.223 -0.075 0.000 2.612 262 L HA 0.362 4.704 4.340 0.002 0.000 0.256 262 L C -2.250 174.622 176.870 0.003 0.000 0.949 262 L CA -0.852 53.995 54.840 0.010 0.000 0.867 262 L CB 2.319 44.421 42.059 0.072 0.000 1.417 262 L HN -0.247 nan 8.230 nan 0.000 0.414 263 L N 2.830 124.092 121.223 0.064 0.000 2.333 263 L HA 0.585 4.926 4.340 0.002 0.000 0.280 263 L C -0.527 176.405 176.870 0.104 0.000 1.004 263 L CA 0.229 55.120 54.840 0.085 0.000 0.820 263 L CB 1.929 44.079 42.059 0.153 0.000 1.247 263 L HN 0.595 nan 8.230 nan 0.000 0.416 264 S N 4.378 120.139 115.700 0.101 0.000 2.416 264 S HA 0.478 4.950 4.470 0.002 0.000 0.287 264 S C -0.437 174.241 174.600 0.130 0.000 1.139 264 S CA -0.595 57.669 58.200 0.106 0.000 1.058 264 S CB 0.084 63.339 63.200 0.092 0.000 0.967 264 S HN 0.453 nan 8.310 nan 0.000 0.495 265 V N 5.226 125.209 119.914 0.114 0.000 2.488 265 V HA 0.527 4.648 4.120 0.002 0.000 0.277 265 V C 0.617 176.775 176.094 0.107 0.000 1.046 265 V CA -0.080 62.282 62.300 0.103 0.000 0.986 265 V CB 0.969 32.833 31.823 0.068 0.000 0.989 265 V HN 0.871 nan 8.190 nan 0.000 0.475 266 S N 3.641 119.400 115.700 0.099 0.000 2.998 266 S HA 0.771 5.243 4.470 0.002 0.000 0.321 266 S C -0.865 173.760 174.600 0.041 0.000 1.171 266 S CA -0.444 57.854 58.200 0.163 0.000 0.882 266 S CB 1.955 65.391 63.200 0.394 0.000 1.301 266 S HN 0.364 nan 8.310 nan 0.000 0.629 267 V N 1.485 121.427 119.914 0.046 0.000 2.850 267 V HA 0.512 4.633 4.120 0.002 0.000 0.315 267 V C 1.649 177.651 176.094 -0.153 0.000 1.064 267 V CA 0.151 62.329 62.300 -0.203 0.000 0.979 267 V CB 1.245 32.771 31.823 -0.496 0.000 1.039 267 V HN 1.088 nan 8.190 nan 0.000 0.452 268 G N 1.185 109.884 108.800 -0.168 0.000 2.394 268 G HA2 -0.115 3.846 3.960 0.002 0.000 0.215 268 G HA3 -0.115 3.846 3.960 0.002 0.000 0.215 268 G C 0.589 175.605 174.900 0.194 0.000 1.165 268 G CA 0.430 45.550 45.100 0.034 0.000 0.784 268 G HN 0.687 nan 8.290 nan 0.000 0.535 269 F N 0.267 120.326 119.950 0.181 0.000 3.100 269 F HA -0.225 4.303 4.527 0.002 0.000 0.283 269 F C 1.889 177.834 175.800 0.240 0.000 0.900 269 F CA 0.774 58.892 58.000 0.195 0.000 1.010 269 F CB -2.400 36.690 39.000 0.150 0.000 1.029 269 F HN 0.140 nan 8.300 nan 0.000 0.637 270 T N -0.246 114.497 114.554 0.315 0.000 2.857 270 T HA 0.115 4.466 4.350 0.002 0.000 0.266 270 T C 1.010 175.887 174.700 0.296 0.000 1.048 270 T CA 1.543 63.816 62.100 0.288 0.000 1.139 270 T CB 0.004 68.996 68.868 0.205 0.000 0.874 270 T HN 0.537 nan 8.240 nan 0.000 0.455 271 I N -2.021 118.584 120.570 0.059 0.000 2.934 271 I HA 0.474 4.646 4.170 0.002 0.000 0.306 271 I C -2.310 173.599 176.117 -0.346 0.000 1.110 271 I CA -2.717 58.353 61.300 -0.382 0.000 1.019 271 I CB 2.240 39.948 38.000 -0.487 0.000 1.227 271 I HN -0.329 nan 8.210 nan 0.000 0.434 272 P HA -0.060 nan 4.420 nan 0.000 0.224 272 P C 0.197 177.443 177.300 -0.090 0.000 1.157 272 P CA 0.861 63.826 63.100 -0.225 0.000 0.799 272 P CB 0.033 31.549 31.700 -0.306 0.000 0.809 273 D N 1.712 122.016 120.400 -0.159 0.000 2.545 273 D HA 0.129 4.770 4.640 0.002 0.000 0.227 273 D C -0.041 176.220 176.300 -0.065 0.000 1.150 273 D CA 0.175 54.120 54.000 -0.092 0.000 1.046 273 D CB -0.533 40.205 40.800 -0.103 0.000 1.098 273 D HN 0.161 nan 8.370 nan 0.000 0.502 274 T N -0.340 114.202 114.554 -0.019 0.000 2.838 274 T HA 0.476 4.827 4.350 0.002 0.000 0.292 274 T C -0.495 174.197 174.700 -0.014 0.000 1.113 274 T CA -1.185 60.911 62.100 -0.005 0.000 1.008 274 T CB 1.418 70.295 68.868 0.015 0.000 1.259 274 T HN 0.044 nan 8.240 nan 0.000 0.520 275 N N 0.353 119.027 118.700 -0.044 0.000 2.750 275 N HA 0.362 5.104 4.740 0.002 0.000 0.253 275 N C -1.235 174.069 175.510 -0.343 0.000 1.408 275 N CA -0.590 52.385 53.050 -0.126 0.000 0.780 275 N CB -0.088 38.350 38.487 -0.081 0.000 1.191 275 N HN 0.706 nan 8.380 nan 0.000 0.511 276 I N 2.442 122.678 120.570 -0.557 0.000 2.452 276 I HA 0.249 4.420 4.170 0.002 0.000 0.287 276 I C -1.487 173.811 176.117 -1.366 0.000 1.079 276 I CA -1.552 59.005 61.300 -1.239 0.000 1.387 276 I CB 1.009 38.089 38.000 -1.533 0.000 1.404 276 I HN 0.292 nan 8.210 nan 0.000 0.522 277 P HA 0.001 nan 4.420 nan 0.000 0.230 277 P C -0.837 175.808 177.300 -1.092 0.000 1.791 277 P CA -0.380 62.182 63.100 -0.896 0.000 1.020 277 P CB -0.473 30.861 31.700 -0.611 0.000 1.977 278 W N 2.173 122.909 121.300 -0.940 0.000 2.314 278 W HA 0.342 5.003 4.660 0.002 0.000 0.339 278 W C 1.161 177.402 176.519 -0.465 0.000 1.293 278 W CA 0.829 57.573 57.345 -1.001 0.000 1.288 278 W CB 0.428 29.562 29.460 -0.542 0.000 1.186 278 W HN 0.393 nan 8.180 nan 0.000 0.566 279 G N 2.881 111.721 108.800 0.066 0.000 2.387 279 G HA2 0.336 4.297 3.960 0.002 0.000 0.294 279 G HA3 0.336 4.297 3.960 0.002 0.000 0.294 279 G C -3.130 172.047 174.900 0.462 0.000 1.509 279 G CA -1.427 43.828 45.100 0.259 0.000 0.806 279 G HN 0.164 nan 8.290 nan 0.000 0.546 280 P HA 0.344 nan 4.420 nan 0.000 0.266 280 P C 0.771 178.082 177.300 0.020 0.000 1.215 280 P CA 1.391 64.575 63.100 0.139 0.000 0.763 280 P CB 1.160 32.894 31.700 0.056 0.000 0.806 281 A N 3.810 126.492 122.820 -0.230 0.000 2.860 281 A HA -0.265 4.056 4.320 0.002 0.000 0.267 281 A C 0.896 178.436 177.584 -0.074 0.000 1.421 281 A CA 1.055 52.710 52.037 -0.637 0.000 0.831 281 A CB -3.065 15.526 19.000 -0.682 0.000 1.041 281 A HN 0.656 nan 8.150 nan 0.000 0.623 282 F N -2.159 117.805 119.950 0.024 0.000 2.333 282 F HA -0.050 4.478 4.527 0.002 0.000 0.300 282 F C 1.729 177.580 175.800 0.084 0.000 1.083 282 F CA 1.564 59.588 58.000 0.041 0.000 1.395 282 F CB -0.348 38.643 39.000 -0.015 0.000 1.056 282 F HN 0.273 nan 8.300 nan 0.000 0.529 283 M N 1.446 120.673 119.600 -0.622 0.000 2.562 283 M HA 0.115 4.596 4.480 0.002 0.000 0.257 283 M C 2.402 178.688 176.300 -0.024 0.000 1.099 283 M CA 0.881 55.929 55.300 -0.420 0.000 1.099 283 M CB -1.870 30.523 32.600 -0.344 0.000 1.427 283 M HN 0.433 nan 8.290 nan 0.000 0.489 284 G N 2.202 111.076 108.800 0.123 0.000 2.599 284 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 284 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 284 G C -0.942 174.020 174.900 0.104 0.000 1.193 284 G CA 0.751 45.967 45.100 0.193 0.000 0.778 284 G HN 0.323 nan 8.290 nan 0.000 0.589 285 P HA -0.041 nan 4.420 nan 0.000 0.215 285 P C 1.965 179.292 177.300 0.046 0.000 1.153 285 P CA 0.727 63.867 63.100 0.067 0.000 0.853 285 P CB 0.012 31.756 31.700 0.074 0.000 0.788 286 I N -0.584 120.006 120.570 0.033 0.000 2.252 286 I HA -0.159 4.012 4.170 0.002 0.000 0.245 286 I C 2.200 178.326 176.117 0.014 0.000 1.102 286 I CA 1.484 62.790 61.300 0.009 0.000 1.385 286 I CB -1.801 36.188 38.000 -0.020 0.000 1.064 286 I HN -0.098 nan 8.210 nan 0.000 0.414 287 A N 0.309 123.142 122.820 0.022 0.000 1.908 287 A HA -0.232 4.089 4.320 0.002 0.000 0.218 287 A C 2.333 179.938 177.584 0.036 0.000 1.181 287 A CA 1.738 53.794 52.037 0.032 0.000 0.627 287 A CB -0.586 18.436 19.000 0.037 0.000 0.818 287 A HN 0.415 nan 8.150 nan 0.000 0.445 288 E N 0.238 120.463 120.200 0.040 0.000 2.077 288 E HA -0.228 4.124 4.350 0.002 0.000 0.193 288 E C 2.222 178.843 176.600 0.035 0.000 0.989 288 E CA 1.383 57.806 56.400 0.039 0.000 0.800 288 E CB -0.294 29.433 29.700 0.045 0.000 0.746 288 E HN 0.653 nan 8.360 nan 0.000 0.452 289 R N 0.133 120.652 120.500 0.031 0.000 2.081 289 R HA -0.092 4.249 4.340 0.002 0.000 0.235 289 R C 2.410 178.728 176.300 0.030 0.000 1.131 289 R CA 1.409 57.524 56.100 0.026 0.000 0.960 289 R CB -0.105 30.206 30.300 0.017 0.000 0.856 289 R HN 0.049 nan 8.270 nan 0.000 0.436 290 V N 1.159 121.094 119.914 0.035 0.000 2.307 290 V HA -0.227 3.894 4.120 0.002 0.000 0.245 290 V C 2.593 178.720 176.094 0.055 0.000 1.045 290 V CA 2.143 64.473 62.300 0.050 0.000 1.024 290 V CB -0.690 31.171 31.823 0.064 0.000 0.651 290 V HN 0.417 nan 8.190 nan 0.000 0.449 291 R N 0.115 120.646 120.500 0.051 0.000 2.091 291 R HA -0.234 4.107 4.340 0.002 0.000 0.238 291 R C 2.506 178.834 176.300 0.046 0.000 1.136 291 R CA 2.236 58.366 56.100 0.051 0.000 0.959 291 R CB -0.253 30.073 30.300 0.043 0.000 0.856 291 R HN 0.470 nan 8.270 nan 0.000 0.437 292 R N 0.439 120.962 120.500 0.039 0.000 2.062 292 R HA -0.084 4.257 4.340 0.002 0.000 0.229 292 R C 1.723 178.041 176.300 0.031 0.000 1.128 292 R CA 1.820 57.940 56.100 0.034 0.000 0.960 292 R CB -0.019 30.299 30.300 0.030 0.000 0.855 292 R HN 0.337 nan 8.270 nan 0.000 0.432 293 E N -0.604 119.614 120.200 0.030 0.000 2.358 293 E HA -0.061 4.291 4.350 0.002 0.000 0.195 293 E C 1.210 177.828 176.600 0.029 0.000 1.010 293 E CA 0.803 57.218 56.400 0.025 0.000 0.856 293 E CB 0.326 30.037 29.700 0.019 0.000 0.795 293 E HN 0.457 nan 8.360 nan 0.000 0.504 294 A N 0.793 123.637 122.820 0.041 0.000 2.343 294 A HA 0.098 4.420 4.320 0.002 0.000 0.223 294 A C 0.365 177.978 177.584 0.049 0.000 1.214 294 A CA -0.278 51.787 52.037 0.047 0.000 0.900 294 A CB 0.136 19.176 19.000 0.066 0.000 0.942 294 A HN 0.026 nan 8.150 nan 0.000 0.507 295 K N -1.266 119.161 120.400 0.046 0.000 3.278 295 K HA -0.192 4.129 4.320 0.002 0.000 0.270 295 K C -0.923 175.710 176.600 0.054 0.000 0.955 295 K CA 0.668 56.982 56.287 0.046 0.000 0.723 295 K CB -1.568 30.954 32.500 0.038 0.000 1.382 295 K HN 0.434 nan 8.250 nan 0.000 0.461 296 L N -0.473 120.789 121.223 0.064 0.000 2.431 296 L HA 0.532 4.874 4.340 0.002 0.000 0.266 296 L C -2.630 174.288 176.870 0.079 0.000 0.978 296 L CA -2.039 52.845 54.840 0.073 0.000 0.822 296 L CB 1.895 44.005 42.059 0.085 0.000 1.310 296 L HN -0.203 nan 8.230 nan 0.000 0.409 297 P HA 0.327 nan 4.420 nan 0.000 0.269 297 P C -1.379 175.972 177.300 0.085 0.000 1.209 297 P CA -0.106 63.058 63.100 0.106 0.000 0.776 297 P CB 0.923 32.734 31.700 0.185 0.000 0.876 298 V N -1.086 118.859 119.914 0.052 0.000 3.181 298 V HA 0.914 5.036 4.120 0.002 0.000 0.308 298 V C -0.786 175.307 176.094 -0.001 0.000 1.214 298 V CA -0.572 61.755 62.300 0.046 0.000 1.053 298 V CB 2.001 33.851 31.823 0.046 0.000 1.069 298 V HN 0.573 nan 8.190 nan 0.000 0.441 299 T N 0.149 114.708 114.554 0.010 0.000 2.864 299 T HA 0.807 5.158 4.350 0.002 0.000 0.299 299 T C -0.854 173.838 174.700 -0.015 0.000 1.166 299 T CA 0.414 62.487 62.100 -0.045 0.000 1.007 299 T CB 1.917 70.769 68.868 -0.026 0.000 1.219 299 T HN 1.644 nan 8.240 nan 0.000 0.506 300 S N 0.031 115.694 115.700 -0.061 0.000 2.727 300 S HA 0.934 5.406 4.470 0.002 0.000 0.278 300 S C -1.625 173.023 174.600 0.080 0.000 1.186 300 S CA 0.106 58.333 58.200 0.045 0.000 0.836 300 S CB 1.168 64.416 63.200 0.079 0.000 1.186 300 S HN 1.440 nan 8.310 nan 0.000 0.499 301 A N 0.505 123.514 122.820 0.314 0.000 2.557 301 A HA 0.817 5.138 4.320 0.002 0.000 0.292 301 A C -1.817 176.159 177.584 0.652 0.000 1.139 301 A CA -0.094 52.242 52.037 0.499 0.000 0.665 301 A CB 0.907 20.104 19.000 0.328 0.000 1.285 301 A HN 1.738 nan 8.150 nan 0.000 0.433 302 W N -0.541 120.977 121.300 0.363 0.000 3.076 302 W HA 0.114 4.775 4.660 0.002 0.000 0.459 302 W C 0.641 177.212 176.519 0.087 0.000 1.812 302 W CA 0.928 58.438 57.345 0.274 0.000 0.462 302 W CB -1.056 28.674 29.460 0.451 0.000 2.861 302 W HN 2.703 nan 8.180 nan 0.000 0.425 303 G N 2.937 111.575 108.800 -0.270 0.000 2.143 303 G HA2 -0.362 3.600 3.960 0.002 0.000 0.249 303 G HA3 -0.362 3.600 3.960 0.002 0.000 0.249 303 G C 0.104 174.884 174.900 -0.202 0.000 0.981 303 G CA 0.366 45.329 45.100 -0.227 0.000 0.665 303 G HN 0.567 nan 8.290 nan 0.000 0.528 304 F N 1.347 121.291 119.950 -0.011 0.000 2.773 304 F HA 0.328 4.856 4.527 0.002 0.000 0.304 304 F C 2.351 178.121 175.800 -0.050 0.000 1.129 304 F CA 0.651 58.655 58.000 0.007 0.000 1.378 304 F CB 0.296 39.297 39.000 0.000 0.000 1.095 304 F HN 0.211 nan 8.300 nan 0.000 0.565 305 G N -0.510 108.280 108.800 -0.017 0.000 2.708 305 G HA2 -0.099 3.862 3.960 0.002 0.000 0.210 305 G HA3 -0.099 3.862 3.960 0.002 0.000 0.210 305 G C 0.571 175.724 174.900 0.421 0.000 1.141 305 G CA 0.334 45.365 45.100 -0.115 0.000 0.788 305 G HN 0.167 nan 8.290 nan 0.000 0.531 306 T N 1.953 116.723 114.554 0.359 0.000 2.738 306 T HA 0.340 4.692 4.350 0.002 0.000 0.298 306 T C -1.433 173.511 174.700 0.407 0.000 0.962 306 T CA -1.093 61.232 62.100 0.374 0.000 0.972 306 T CB 2.124 71.117 68.868 0.209 0.000 0.928 306 T HN -0.114 nan 8.240 nan 0.000 0.474 307 P HA -0.229 nan 4.420 nan 0.000 0.219 307 P C 1.527 178.926 177.300 0.165 0.000 1.161 307 P CA 1.305 64.525 63.100 0.200 0.000 0.909 307 P CB 0.212 31.832 31.700 -0.132 0.000 0.793 308 Q N -1.165 118.705 119.800 0.118 0.000 2.135 308 Q HA -0.115 4.227 4.340 0.002 0.000 0.204 308 Q C 2.232 178.319 176.000 0.144 0.000 0.981 308 Q CA 1.228 57.092 55.803 0.103 0.000 0.856 308 Q CB -1.089 27.695 28.738 0.075 0.000 0.902 308 Q HN 0.262 nan 8.270 nan 0.000 0.425 309 L N -0.477 120.858 121.223 0.186 0.000 2.056 309 L HA -0.170 4.171 4.340 0.002 0.000 0.207 309 L C 2.208 179.276 176.870 0.330 0.000 1.078 309 L CA 1.032 56.005 54.840 0.222 0.000 0.749 309 L CB -0.536 41.632 42.059 0.182 0.000 0.901 309 L HN 0.292 nan 8.230 nan 0.000 0.433 310 A N -0.201 122.835 122.820 0.362 0.000 1.877 310 A HA -0.285 4.036 4.320 0.002 0.000 0.216 310 A C 2.112 179.790 177.584 0.158 0.000 1.186 310 A CA 2.008 54.224 52.037 0.299 0.000 0.620 310 A CB -0.531 18.658 19.000 0.315 0.000 0.822 310 A HN 0.417 nan 8.150 nan 0.000 0.443 311 E N 0.254 120.539 120.200 0.143 0.000 2.077 311 E HA -0.093 4.259 4.350 0.002 0.000 0.193 311 E C 2.008 178.661 176.600 0.089 0.000 0.989 311 E CA 1.739 58.194 56.400 0.092 0.000 0.800 311 E CB -0.492 29.260 29.700 0.087 0.000 0.746 311 E HN 0.471 nan 8.360 nan 0.000 0.452 312 A N 0.696 123.585 122.820 0.114 0.000 1.902 312 A HA -0.034 4.288 4.320 0.002 0.000 0.217 312 A C 2.442 180.093 177.584 0.110 0.000 1.181 312 A CA 2.055 54.156 52.037 0.106 0.000 0.623 312 A CB -1.015 18.054 19.000 0.115 0.000 0.818 312 A HN 0.394 nan 8.150 nan 0.000 0.443 313 A N -0.354 122.555 122.820 0.149 0.000 1.933 313 A HA -0.020 4.302 4.320 0.002 0.000 0.218 313 A C 2.172 179.783 177.584 0.045 0.000 1.175 313 A CA 1.490 53.606 52.037 0.131 0.000 0.628 313 A CB -0.531 18.577 19.000 0.181 0.000 0.814 313 A HN 0.474 nan 8.150 nan 0.000 0.444 314 L N -1.065 120.169 121.223 0.019 0.000 2.044 314 L HA -0.202 4.139 4.340 0.002 0.000 0.205 314 L C 2.860 179.741 176.870 0.019 0.000 1.075 314 L CA 1.363 56.199 54.840 -0.008 0.000 0.747 314 L CB -0.585 41.460 42.059 -0.023 0.000 0.903 314 L HN 0.448 nan 8.230 nan 0.000 0.435 315 Q N -0.215 119.607 119.800 0.037 0.000 2.170 315 Q HA -0.162 4.180 4.340 0.002 0.000 0.203 315 Q C 2.079 178.104 176.000 0.042 0.000 0.976 315 Q CA 1.457 57.285 55.803 0.041 0.000 0.858 315 Q CB -0.162 28.605 28.738 0.047 0.000 0.907 315 Q HN 0.545 nan 8.270 nan 0.000 0.433 316 A N 0.723 123.571 122.820 0.047 0.000 2.251 316 A HA -0.021 4.301 4.320 0.002 0.000 0.209 316 A C 0.168 177.777 177.584 0.041 0.000 1.187 316 A CA -0.075 51.990 52.037 0.048 0.000 0.823 316 A CB 0.122 19.159 19.000 0.061 0.000 0.846 316 A HN 0.375 nan 8.150 nan 0.000 0.486 317 N N -0.510 118.210 118.700 0.032 0.000 2.735 317 N HA -0.207 4.535 4.740 0.002 0.000 0.248 317 N C 0.602 176.127 175.510 0.025 0.000 1.083 317 N CA 1.286 54.351 53.050 0.025 0.000 0.703 317 N CB -1.390 37.116 38.487 0.031 0.000 1.005 317 N HN 0.806 nan 8.380 nan 0.000 0.550 318 Q N -0.567 119.249 119.800 0.027 0.000 2.302 318 Q HA 0.215 4.557 4.340 0.002 0.000 0.202 318 Q C 0.503 176.505 176.000 0.004 0.000 0.936 318 Q CA 0.807 56.630 55.803 0.033 0.000 0.886 318 Q CB 0.542 29.320 28.738 0.067 0.000 0.986 318 Q HN 0.440 nan 8.270 nan 0.000 0.487 319 L N -0.887 120.315 121.223 -0.034 0.000 2.415 319 L HA 0.326 4.667 4.340 0.002 0.000 0.256 319 L C -0.094 176.711 176.870 -0.108 0.000 1.010 319 L CA -0.678 54.110 54.840 -0.086 0.000 0.826 319 L CB 1.940 43.893 42.059 -0.177 0.000 1.405 319 L HN -0.120 nan 8.230 nan 0.000 0.410 320 D N 0.490 120.799 120.400 -0.153 0.000 2.379 320 D HA 0.293 4.934 4.640 0.002 0.000 0.218 320 D C -0.071 175.989 176.300 -0.400 0.000 1.006 320 D CA 0.888 54.731 54.000 -0.261 0.000 0.893 320 D CB 1.351 41.984 40.800 -0.278 0.000 1.019 320 D HN 0.183 nan 8.370 nan 0.000 0.503 321 L N 1.138 122.173 121.223 -0.314 0.000 2.401 321 L HA 0.393 4.735 4.340 0.002 0.000 0.266 321 L C -0.840 175.877 176.870 -0.255 0.000 0.991 321 L CA -0.881 53.786 54.840 -0.288 0.000 0.818 321 L CB 3.261 45.169 42.059 -0.251 0.000 1.321 321 L HN -0.345 nan 8.230 nan 0.000 0.413 322 V N 1.213 120.976 119.914 -0.250 0.000 2.370 322 V HA 0.324 4.446 4.120 0.002 0.000 0.283 322 V C 0.104 176.064 176.094 -0.224 0.000 1.023 322 V CA -0.388 61.712 62.300 -0.335 0.000 0.857 322 V CB 1.534 33.181 31.823 -0.293 0.000 0.985 322 V HN 0.761 nan 8.190 nan 0.000 0.443 323 S N 4.072 119.644 115.700 -0.213 0.000 2.475 323 S HA 0.544 5.015 4.470 0.002 0.000 0.281 323 S C -0.226 174.351 174.600 -0.038 0.000 1.198 323 S CA -0.428 57.720 58.200 -0.088 0.000 1.063 323 S CB 1.285 64.473 63.200 -0.020 0.000 0.972 323 S HN 0.487 nan 8.310 nan 0.000 0.486 324 V N 3.757 123.635 119.914 -0.060 0.000 2.376 324 V HA 0.506 4.628 4.120 0.002 0.000 0.287 324 V C 0.949 177.046 176.094 0.004 0.000 1.015 324 V CA -0.471 61.745 62.300 -0.139 0.000 0.834 324 V CB 1.148 32.660 31.823 -0.519 0.000 1.001 324 V HN 0.980 nan 8.190 nan 0.000 0.428 325 G N 3.620 112.408 108.800 -0.020 0.000 2.680 325 G HA2 0.041 4.002 3.960 0.002 0.000 0.224 325 G HA3 0.041 4.002 3.960 0.002 0.000 0.224 325 G C 1.233 176.142 174.900 0.016 0.000 1.454 325 G CA -0.067 45.055 45.100 0.036 0.000 0.900 325 G HN 0.543 nan 8.290 nan 0.000 0.570 326 R N 0.679 121.145 120.500 -0.056 0.000 2.139 326 R HA -0.040 4.301 4.340 0.002 0.000 0.243 326 R C 2.815 179.063 176.300 -0.088 0.000 1.145 326 R CA 1.157 57.219 56.100 -0.064 0.000 0.976 326 R CB -0.330 29.892 30.300 -0.130 0.000 0.866 326 R HN 0.346 nan 8.270 nan 0.000 0.449 327 A N 0.102 122.801 122.820 -0.201 0.000 2.019 327 A HA -0.194 4.128 4.320 0.002 0.000 0.219 327 A C 1.478 178.946 177.584 -0.193 0.000 1.164 327 A CA 1.476 53.350 52.037 -0.272 0.000 0.644 327 A CB -0.520 18.091 19.000 -0.648 0.000 0.805 327 A HN 0.390 nan 8.150 nan 0.000 0.449 328 H N -0.900 118.122 119.070 -0.080 0.000 2.529 328 H HA 0.195 4.752 4.556 0.002 0.000 0.277 328 H C 1.766 177.134 175.328 0.066 0.000 0.999 328 H CA 0.948 57.021 56.048 0.041 0.000 1.256 328 H CB 0.038 29.816 29.762 0.026 0.000 1.402 328 H HN 0.393 nan 8.280 nan 0.000 0.566 329 L N -0.619 120.695 121.223 0.153 0.000 2.131 329 L HA 0.001 4.343 4.340 0.002 0.000 0.206 329 L C 2.617 179.536 176.870 0.081 0.000 1.087 329 L CA 0.768 55.696 54.840 0.147 0.000 0.767 329 L CB -0.341 41.792 42.059 0.124 0.000 0.917 329 L HN 0.305 nan 8.230 nan 0.000 0.441 330 A N -0.863 121.977 122.820 0.033 0.000 1.898 330 A HA -0.156 4.165 4.320 0.002 0.000 0.216 330 A C 0.746 178.330 177.584 0.001 0.000 1.181 330 A CA 1.453 53.490 52.037 -0.001 0.000 0.620 330 A CB -0.131 18.849 19.000 -0.034 0.000 0.819 330 A HN 0.378 nan 8.150 nan 0.000 0.442 331 D N -2.633 117.786 120.400 0.033 0.000 2.386 331 D HA 0.379 5.020 4.640 0.002 0.000 0.247 331 D C -2.562 173.822 176.300 0.141 0.000 1.336 331 D CA -1.852 52.175 54.000 0.045 0.000 0.976 331 D CB 1.494 42.320 40.800 0.043 0.000 1.257 331 D HN -0.133 nan 8.370 nan 0.000 0.570 332 P HA -0.054 nan 4.420 nan 0.000 0.223 332 P C 0.181 177.774 177.300 0.487 0.000 1.144 332 P CA 1.045 64.297 63.100 0.252 0.000 0.783 332 P CB 0.027 31.782 31.700 0.092 0.000 0.771 333 H N -3.747 115.467 119.070 0.241 0.000 2.550 333 H HA 0.087 4.644 4.556 0.002 0.000 0.304 333 H C 1.042 176.570 175.328 0.334 0.000 1.086 333 H CA -0.649 55.566 56.048 0.278 0.000 1.089 333 H CB -0.390 29.492 29.762 0.200 0.000 1.528 333 H HN 0.191 nan 8.280 nan 0.000 0.539 334 W N 1.817 123.245 121.300 0.213 0.000 2.325 334 W HA -0.277 4.384 4.660 0.002 0.000 0.299 334 W C 2.244 178.909 176.519 0.243 0.000 1.215 334 W CA 1.911 59.311 57.345 0.091 0.000 1.244 334 W CB -0.064 29.155 29.460 -0.402 0.000 1.140 334 W HN 0.277 nan 8.180 nan 0.000 0.523 335 A N -0.525 122.570 122.820 0.458 0.000 1.948 335 A HA -0.299 4.023 4.320 0.002 0.000 0.220 335 A C 1.833 179.552 177.584 0.224 0.000 1.177 335 A CA 1.877 54.124 52.037 0.351 0.000 0.636 335 A CB -1.569 17.713 19.000 0.470 0.000 0.815 335 A HN 0.609 nan 8.150 nan 0.000 0.449 336 Y N -0.678 119.684 120.300 0.103 0.000 2.163 336 Y HA -0.161 4.390 4.550 0.002 0.000 0.288 336 Y C 1.934 177.804 175.900 -0.051 0.000 1.136 336 Y CA 1.550 59.661 58.100 0.019 0.000 1.147 336 Y CB -0.802 37.685 38.460 0.045 0.000 0.987 336 Y HN 0.334 nan 8.280 nan 0.000 0.509 337 F N 0.959 120.664 119.950 -0.409 0.000 2.161 337 F HA -0.141 4.388 4.527 0.002 0.000 0.300 337 F C 2.227 177.680 175.800 -0.578 0.000 1.089 337 F CA 1.702 59.367 58.000 -0.558 0.000 1.282 337 F CB -0.933 37.816 39.000 -0.417 0.000 1.010 337 F HN 0.089 nan 8.300 nan 0.000 0.485 338 A N 0.548 122.832 122.820 -0.893 0.000 1.898 338 A HA 0.029 4.350 4.320 0.002 0.000 0.216 338 A C 2.462 179.811 177.584 -0.391 0.000 1.181 338 A CA 1.625 53.153 52.037 -0.849 0.000 0.620 338 A CB -1.577 16.819 19.000 -1.006 0.000 0.819 338 A HN 0.517 nan 8.150 nan 0.000 0.442 339 A N -0.035 122.626 122.820 -0.266 0.000 1.908 339 A HA -0.195 4.126 4.320 0.002 0.000 0.218 339 A C 2.125 179.460 177.584 -0.416 0.000 1.181 339 A CA 1.909 53.650 52.037 -0.494 0.000 0.627 339 A CB -0.433 18.173 19.000 -0.656 0.000 0.818 339 A HN 0.555 nan 8.150 nan 0.000 0.445 340 K N -0.671 119.440 120.400 -0.483 0.000 2.025 340 K HA -0.111 4.211 4.320 0.002 0.000 0.207 340 K C 1.969 178.345 176.600 -0.374 0.000 1.049 340 K CA 1.232 57.268 56.287 -0.419 0.000 0.933 340 K CB -0.186 32.007 32.500 -0.512 0.000 0.714 340 K HN 0.358 nan 8.250 nan 0.000 0.438 341 E N 0.879 120.763 120.200 -0.526 0.000 2.160 341 E HA -0.152 4.199 4.350 0.002 0.000 0.195 341 E C 1.649 178.096 176.600 -0.254 0.000 0.991 341 E CA 1.055 57.185 56.400 -0.450 0.000 0.810 341 E CB 0.038 29.321 29.700 -0.694 0.000 0.742 341 E HN 0.325 nan 8.360 nan 0.000 0.466 342 L N -0.464 120.632 121.223 -0.212 0.000 2.653 342 L HA 0.207 4.549 4.340 0.002 0.000 0.231 342 L C 1.066 177.881 176.870 -0.092 0.000 1.153 342 L CA 0.182 54.964 54.840 -0.097 0.000 0.933 342 L CB 0.046 42.107 42.059 0.004 0.000 1.175 342 L HN 0.106 nan 8.230 nan 0.000 0.473 343 G N 0.937 109.656 108.800 -0.134 0.000 2.249 343 G HA2 -0.257 3.704 3.960 0.002 0.000 0.273 343 G HA3 -0.257 3.704 3.960 0.002 0.000 0.273 343 G C 0.256 175.089 174.900 -0.112 0.000 1.036 343 G CA 0.144 45.178 45.100 -0.110 0.000 0.824 343 G HN 0.150 nan 8.290 nan 0.000 0.504 344 V N 0.491 120.298 119.914 -0.178 0.000 2.655 344 V HA 0.145 4.266 4.120 0.002 0.000 0.300 344 V C 1.099 177.106 176.094 -0.145 0.000 1.044 344 V CA -0.051 62.125 62.300 -0.206 0.000 1.095 344 V CB 0.952 32.495 31.823 -0.466 0.000 0.952 344 V HN 0.516 nan 8.190 nan 0.000 0.485 345 E N 4.595 124.739 120.200 -0.093 0.000 2.376 345 E HA 0.134 4.485 4.350 0.002 0.000 0.266 345 E C 0.077 176.659 176.600 -0.031 0.000 1.009 345 E CA -0.252 56.117 56.400 -0.051 0.000 0.902 345 E CB 0.131 29.809 29.700 -0.036 0.000 0.972 345 E HN 0.530 nan 8.360 nan 0.000 0.439 346 K N 1.017 121.428 120.400 0.019 0.000 3.150 346 K HA -0.284 4.038 4.320 0.002 0.000 0.267 346 K C 0.711 177.387 176.600 0.127 0.000 1.028 346 K CA 0.260 56.621 56.287 0.124 0.000 0.753 346 K CB -1.506 31.063 32.500 0.115 0.000 1.288 346 K HN 0.692 nan 8.250 nan 0.000 0.473 347 A N 0.786 123.626 122.820 0.034 0.000 1.978 347 A HA -0.234 4.088 4.320 0.002 0.000 0.220 347 A C 2.174 179.855 177.584 0.162 0.000 1.170 347 A CA 2.084 54.110 52.037 -0.017 0.000 0.636 347 A CB -0.411 18.524 19.000 -0.107 0.000 0.810 347 A HN 0.707 nan 8.150 nan 0.000 0.448 348 S N -1.923 113.888 115.700 0.184 0.000 2.423 348 S HA -0.186 4.285 4.470 0.002 0.000 0.231 348 S C 1.266 175.720 174.600 -0.243 0.000 1.014 348 S CA 0.941 59.135 58.200 -0.009 0.000 0.965 348 S CB -0.765 62.340 63.200 -0.158 0.000 0.785 348 S HN 0.685 nan 8.310 nan 0.000 0.495 349 W N 2.340 123.635 121.300 -0.009 0.000 3.391 349 W HA 0.315 4.977 4.660 0.002 0.000 0.275 349 W C 1.706 178.221 176.519 -0.007 0.000 1.318 349 W CA 0.166 57.499 57.345 -0.021 0.000 1.665 349 W CB -0.706 28.738 29.460 -0.026 0.000 1.078 349 W HN 0.245 nan 8.180 nan 0.000 0.732 350 T N 0.346 114.962 114.554 0.104 0.000 3.055 350 T HA 0.072 4.424 4.350 0.002 0.000 0.265 350 T C 0.889 175.625 174.700 0.060 0.000 1.111 350 T CA 0.642 62.814 62.100 0.121 0.000 1.118 350 T CB -0.000 68.962 68.868 0.158 0.000 0.909 350 T HN -0.138 nan 8.240 nan 0.000 0.501 351 L N 0.798 121.981 121.223 -0.066 0.000 2.332 351 L HA 0.461 4.802 4.340 0.002 0.000 0.269 351 L C -2.418 174.354 176.870 -0.163 0.000 1.016 351 L CA -2.879 51.873 54.840 -0.146 0.000 0.809 351 L CB 0.801 42.711 42.059 -0.249 0.000 1.280 351 L HN -0.210 nan 8.230 nan 0.000 0.447 352 P HA 0.045 nan 4.420 nan 0.000 0.270 352 P C 0.052 177.175 177.300 -0.295 0.000 1.223 352 P CA -0.113 62.868 63.100 -0.197 0.000 0.785 352 P CB 0.699 32.227 31.700 -0.286 0.000 0.923 353 A N 4.142 126.865 122.820 -0.161 0.000 1.927 353 A HA -0.174 4.148 4.320 0.002 0.000 0.220 353 A C -0.435 177.048 177.584 -0.168 0.000 1.185 353 A CA 2.122 54.044 52.037 -0.193 0.000 0.639 353 A CB -2.615 16.468 19.000 0.138 0.000 0.820 353 A HN 0.523 nan 8.150 nan 0.000 0.451 354 P HA -0.132 nan 4.420 nan 0.000 0.223 354 P C 0.520 177.966 177.300 0.243 0.000 1.144 354 P CA 1.177 64.287 63.100 0.017 0.000 0.783 354 P CB -0.044 31.557 31.700 -0.165 0.000 0.771 355 Y N -1.668 118.618 120.300 -0.023 0.000 2.472 355 Y HA 0.369 4.920 4.550 0.002 0.000 0.288 355 Y C 2.495 178.265 175.900 -0.217 0.000 1.154 355 Y CA -0.300 57.764 58.100 -0.059 0.000 1.238 355 Y CB -1.453 36.900 38.460 -0.179 0.000 1.287 355 Y HN -0.189 nan 8.280 nan 0.000 0.524 356 A N 0.252 122.847 122.820 -0.376 0.000 1.892 356 A HA -0.332 3.989 4.320 0.002 0.000 0.218 356 A C 2.027 179.143 177.584 -0.781 0.000 1.188 356 A CA 2.511 54.021 52.037 -0.878 0.000 0.631 356 A CB -1.348 16.560 19.000 -1.819 0.000 0.822 356 A HN 0.623 nan 8.150 nan 0.000 0.447 357 H N -1.870 116.757 119.070 -0.738 0.000 2.353 357 H HA -0.221 4.336 4.556 0.002 0.000 0.298 357 H C 1.560 176.566 175.328 -0.536 0.000 1.103 357 H CA 2.387 58.113 56.048 -0.536 0.000 1.293 357 H CB -0.296 29.066 29.762 -0.667 0.000 1.372 357 H HN 0.711 nan 8.280 nan 0.000 0.501 358 W N -0.505 120.723 121.300 -0.121 0.000 3.003 358 W HA 0.204 4.865 4.660 0.002 0.000 0.257 358 W C 1.500 177.945 176.519 -0.123 0.000 1.308 358 W CA -0.024 57.254 57.345 -0.112 0.000 1.529 358 W CB 0.263 29.718 29.460 -0.009 0.000 1.115 358 W HN 0.134 nan 8.180 nan 0.000 0.659 359 L N 0.389 121.603 121.223 -0.014 0.000 2.590 359 L HA 0.137 4.478 4.340 0.002 0.000 0.227 359 L C 1.406 178.270 176.870 -0.011 0.000 1.099 359 L CA 0.095 54.924 54.840 -0.019 0.000 0.872 359 L CB -0.499 41.478 42.059 -0.137 0.000 1.088 359 L HN -0.012 nan 8.230 nan 0.000 0.479 360 E N 0.000 120.156 120.200 -0.073 0.000 2.725 360 E HA 0.000 4.351 4.350 0.002 0.000 0.291 360 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 360 E CB 0.000 29.726 29.700 0.044 0.000 0.812 360 E HN 0.000 nan 8.360 nan 0.000 0.440