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 3cl6_1_B DATA FIRST_RESID 3 DATA SEQUENCE VDYPRDLIGY GSNPPHPHWP GKARIALSFV LNYEEGGERN ILHGDKESEA DATA SEQUENCE FLSEMVSAQP LQGERNMSME SLYEYGSRAG VWRILKLFKA FDIPLTIFAV DATA SEQUENCE AMAAQRHPDV IRAMVAAGHE ICSHGYRWID YQYMDEAQER EHMLEAIRIL DATA SEQUENCE TELTGERPLG WYTGRTGPNT RRLVMEEGGF LYDCDTYDDD LPYWEPNNPT DATA SEQUENCE GKPHLVIPYT LDTNDMRFTQ VQGFNKGDDF FEYLKDAFDV LYAEGAEAPK DATA SEQUENCE MLSIGLHCRL IGRPARLAAL QRFIEYAKSH EQVWFTRRVD IARHWHATHP DATA SEQUENCE YT 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.135 176.094 0.068 0.000 1.182 3 V CA 0.000 62.316 62.300 0.027 0.000 1.235 3 V CB 0.000 31.829 31.823 0.010 0.000 1.184 4 D N 2.575 123.020 120.400 0.076 0.000 2.358 4 D HA 0.497 5.157 4.640 0.033 0.000 0.258 4 D C -0.980 175.423 176.300 0.172 0.000 1.223 4 D CA 0.935 54.992 54.000 0.095 0.000 0.886 4 D CB 0.593 41.429 40.800 0.061 0.000 1.120 4 D HN 0.758 nan 8.370 nan 0.000 0.482 5 Y N 3.878 124.181 120.300 0.004 0.000 2.315 5 Y HA 0.282 4.852 4.550 0.033 0.000 0.324 5 Y C -2.061 173.842 175.900 0.004 0.000 1.062 5 Y CA -2.040 56.062 58.100 0.004 0.000 1.159 5 Y CB 1.982 40.444 38.460 0.002 0.000 1.145 5 Y HN 0.221 nan 8.280 nan 0.000 0.442 6 P HA 0.185 nan 4.420 nan 0.000 0.255 6 P C -0.599 176.542 177.300 -0.265 0.000 1.357 6 P CA 0.384 63.361 63.100 -0.206 0.000 0.839 6 P CB 0.199 31.800 31.700 -0.165 0.000 1.356 7 R N 0.264 120.511 120.500 -0.421 0.000 2.664 7 R HA 0.397 4.757 4.340 0.033 0.000 0.286 7 R C -0.582 175.686 176.300 -0.054 0.000 0.967 7 R CA -0.708 55.244 56.100 -0.246 0.000 0.933 7 R CB 1.089 31.194 30.300 -0.324 0.000 1.146 7 R HN -0.168 nan 8.270 nan 0.000 0.468 8 D N 3.206 123.587 120.400 -0.032 0.000 2.473 8 D HA 0.137 4.797 4.640 0.033 0.000 0.226 8 D C 0.536 176.823 176.300 -0.021 0.000 1.089 8 D CA -0.238 53.749 54.000 -0.022 0.000 0.883 8 D CB 0.860 41.610 40.800 -0.084 0.000 1.029 8 D HN 0.452 nan 8.370 nan 0.000 0.517 9 L N 3.251 124.499 121.223 0.042 0.000 2.478 9 L HA 0.090 4.450 4.340 0.033 0.000 0.223 9 L C 1.866 178.733 176.870 -0.004 0.000 1.140 9 L CA 0.460 55.322 54.840 0.037 0.000 0.842 9 L CB 0.069 42.177 42.059 0.083 0.000 0.953 9 L HN 0.479 nan 8.230 nan 0.000 0.452 10 I N -1.499 119.056 120.570 -0.025 0.000 2.729 10 I HA 0.142 4.332 4.170 0.033 0.000 0.256 10 I C 1.852 177.923 176.117 -0.077 0.000 1.115 10 I CA 0.642 61.923 61.300 -0.031 0.000 1.446 10 I CB -0.449 37.544 38.000 -0.013 0.000 1.176 10 I HN 0.323 nan 8.210 nan 0.000 0.446 11 G N 1.274 109.976 108.800 -0.163 0.000 2.591 11 G HA2 -0.370 3.610 3.960 0.033 0.000 0.298 11 G HA3 -0.370 3.610 3.960 0.033 0.000 0.298 11 G C 0.387 175.148 174.900 -0.232 0.000 1.195 11 G CA 0.802 45.706 45.100 -0.328 0.000 0.989 11 G HN 0.267 nan 8.290 nan 0.000 0.551 12 Y N 3.069 123.330 120.300 -0.064 0.000 2.529 12 Y HA 0.354 4.924 4.550 0.033 0.000 0.290 12 Y C 2.419 178.312 175.900 -0.012 0.000 1.177 12 Y CA 1.387 59.475 58.100 -0.018 0.000 1.305 12 Y CB -0.545 37.909 38.460 -0.009 0.000 1.047 12 Y HN 1.559 nan 8.280 nan 0.000 0.522 13 G N 0.647 109.509 108.800 0.103 0.000 2.614 13 G HA2 -0.405 3.575 3.960 0.033 0.000 0.303 13 G HA3 -0.405 3.575 3.960 0.033 0.000 0.303 13 G C 1.271 176.215 174.900 0.072 0.000 1.270 13 G CA 0.929 46.069 45.100 0.067 0.000 0.988 13 G HN 0.599 nan 8.290 nan 0.000 0.551 14 S N -0.188 115.541 115.700 0.049 0.000 2.593 14 S HA 0.217 4.707 4.470 0.033 0.000 0.217 14 S C 0.920 175.533 174.600 0.022 0.000 0.966 14 S CA 1.123 59.341 58.200 0.030 0.000 0.914 14 S CB 0.191 63.402 63.200 0.019 0.000 0.776 14 S HN 0.930 nan 8.310 nan 0.000 0.523 15 N N 3.024 121.748 118.700 0.039 0.000 2.818 15 N HA 0.371 5.131 4.740 0.033 0.000 0.301 15 N C -2.935 172.553 175.510 -0.036 0.000 1.821 15 N CA -1.976 51.081 53.050 0.012 0.000 0.930 15 N CB 0.686 39.192 38.487 0.032 0.000 1.263 15 N HN 0.239 nan 8.380 nan 0.000 0.487 16 P HA 0.285 nan 4.420 nan 0.000 0.275 16 P C -2.688 174.375 177.300 -0.396 0.000 1.228 16 P CA -0.971 61.901 63.100 -0.380 0.000 0.786 16 P CB 0.305 31.848 31.700 -0.261 0.000 0.927 17 P HA 0.062 nan 4.420 nan 0.000 0.274 17 P C -0.177 176.924 177.300 -0.331 0.000 1.231 17 P CA 0.022 62.882 63.100 -0.401 0.000 0.790 17 P CB 0.406 31.721 31.700 -0.642 0.000 0.951 18 H N 4.585 123.440 119.070 -0.359 0.000 2.819 18 H HA 0.090 4.667 4.556 0.034 0.000 0.303 18 H C -1.534 173.398 175.328 -0.661 0.000 1.058 18 H CA -1.697 54.044 56.048 -0.511 0.000 1.471 18 H CB 0.858 30.280 29.762 -0.567 0.000 1.480 18 H HN 0.250 nan 8.280 nan 0.000 0.517 19 P HA -0.039 nan 4.420 nan 0.000 0.236 19 P C -0.625 176.516 177.300 -0.266 0.000 1.177 19 P CA 0.335 63.115 63.100 -0.532 0.000 0.773 19 P CB 0.059 30.908 31.700 -1.418 0.000 0.878 20 H N -2.217 116.920 119.070 0.113 0.000 2.592 20 H HA -0.152 4.424 4.556 0.034 0.000 0.323 20 H C -0.514 174.900 175.328 0.142 0.000 1.117 20 H CA -0.171 55.936 56.048 0.098 0.000 1.120 20 H CB -2.629 27.106 29.762 -0.045 0.000 1.561 20 H HN 0.366 nan 8.280 nan 0.000 0.409 21 W N 1.391 122.758 121.300 0.111 0.000 2.193 21 W HA 0.136 4.816 4.660 0.033 0.000 0.338 21 W C -1.546 174.737 176.519 -0.395 0.000 1.310 21 W CA -2.212 54.959 57.345 -0.291 0.000 1.243 21 W CB 0.212 29.593 29.460 -0.133 0.000 1.165 21 W HN 0.147 nan 8.180 nan 0.000 0.566 22 P HA -0.018 nan 4.420 nan 0.000 0.267 22 P C 0.669 177.804 177.300 -0.275 0.000 1.201 22 P CA 0.993 63.842 63.100 -0.419 0.000 0.775 22 P CB 0.389 31.674 31.700 -0.692 0.000 0.854 23 G N 1.549 110.281 108.800 -0.113 0.000 2.160 23 G HA2 -0.353 3.627 3.960 0.033 0.000 0.251 23 G HA3 -0.353 3.627 3.960 0.033 0.000 0.251 23 G C 0.375 175.289 174.900 0.023 0.000 1.008 23 G CA 0.406 45.490 45.100 -0.027 0.000 0.724 23 G HN 0.654 nan 8.290 nan 0.000 0.514 24 K N -2.126 118.294 120.400 0.033 0.000 3.012 24 K HA -0.194 4.146 4.320 0.033 0.000 0.259 24 K C 0.971 177.635 176.600 0.106 0.000 0.989 24 K CA 0.645 56.978 56.287 0.077 0.000 0.728 24 K CB -1.888 30.646 32.500 0.058 0.000 1.260 24 K HN 1.879 nan 8.250 nan 0.000 0.480 25 A N 1.161 124.063 122.820 0.138 0.000 2.511 25 A HA 0.069 4.409 4.320 0.033 0.000 0.242 25 A C 1.261 178.969 177.584 0.206 0.000 1.069 25 A CA -0.077 52.066 52.037 0.177 0.000 0.763 25 A CB 0.278 19.393 19.000 0.192 0.000 1.001 25 A HN 0.396 nan 8.150 nan 0.000 0.498 26 R N 1.474 122.011 120.500 0.062 0.000 2.297 26 R HA 0.316 4.676 4.340 0.033 0.000 0.197 26 R C 0.068 176.355 176.300 -0.022 0.000 0.943 26 R CA 0.534 56.572 56.100 -0.102 0.000 1.038 26 R CB -0.161 29.823 30.300 -0.527 0.000 0.957 26 R HN 0.728 nan 8.270 nan 0.000 0.484 27 I N -0.356 120.266 120.570 0.086 0.000 2.828 27 I HA 0.367 4.557 4.170 0.033 0.000 0.295 27 I C -1.829 174.208 176.117 -0.133 0.000 1.459 27 I CA -0.871 60.440 61.300 0.019 0.000 1.015 27 I CB 2.222 40.123 38.000 -0.166 0.000 1.345 27 I HN -0.051 nan 8.210 nan 0.000 0.449 28 A N 7.678 130.291 122.820 -0.344 0.000 2.318 28 A HA 0.800 5.140 4.320 0.033 0.000 0.324 28 A C -1.436 175.895 177.584 -0.421 0.000 1.170 28 A CA -0.533 51.151 52.037 -0.589 0.000 0.810 28 A CB 1.043 19.286 19.000 -1.262 0.000 1.198 28 A HN 0.619 nan 8.150 nan 0.000 0.484 29 L N 1.990 122.960 121.223 -0.422 0.000 2.313 29 L HA 0.554 4.914 4.340 0.033 0.000 0.283 29 L C 0.343 177.014 176.870 -0.333 0.000 1.013 29 L CA -0.454 54.180 54.840 -0.344 0.000 0.816 29 L CB 1.996 43.891 42.059 -0.274 0.000 1.236 29 L HN 0.666 nan 8.230 nan 0.000 0.419 30 S N 3.652 119.145 115.700 -0.344 0.000 2.601 30 S HA 0.517 5.007 4.470 0.033 0.000 0.312 30 S C -0.682 173.761 174.600 -0.263 0.000 1.107 30 S CA -0.535 57.500 58.200 -0.274 0.000 1.129 30 S CB 0.046 63.078 63.200 -0.279 0.000 0.982 30 S HN 0.312 nan 8.310 nan 0.000 0.469 31 F N 3.642 123.525 119.950 -0.112 0.000 2.427 31 F HA 0.447 4.993 4.527 0.031 0.000 0.352 31 F C 0.312 175.932 175.800 -0.300 0.000 1.100 31 F CA -0.281 57.648 58.000 -0.120 0.000 1.191 31 F CB 1.271 40.220 39.000 -0.085 0.000 1.128 31 F HN 0.205 nan 8.300 nan 0.000 0.533 32 V N 5.442 125.273 119.914 -0.138 0.000 2.483 32 V HA 0.343 4.483 4.120 0.033 0.000 0.297 32 V C -0.881 175.013 176.094 -0.334 0.000 1.027 32 V CA -0.805 61.257 62.300 -0.396 0.000 0.855 32 V CB 1.825 33.263 31.823 -0.641 0.000 0.995 32 V HN 0.474 nan 8.190 nan 0.000 0.424 33 L N 5.856 126.855 121.223 -0.373 0.000 2.280 33 L HA 0.545 4.905 4.340 0.033 0.000 0.287 33 L C 0.096 176.837 176.870 -0.214 0.000 1.023 33 L CA 0.160 54.847 54.840 -0.255 0.000 0.819 33 L CB 1.047 42.962 42.059 -0.239 0.000 1.212 33 L HN 0.585 nan 8.230 nan 0.000 0.420 34 N N 4.124 122.693 118.700 -0.219 0.000 2.529 34 N HA 0.117 4.877 4.740 0.033 0.000 0.278 34 N C -1.505 174.020 175.510 0.024 0.000 1.146 34 N CA -0.100 52.908 53.050 -0.070 0.000 0.980 34 N CB 1.156 39.522 38.487 -0.202 0.000 1.124 34 N HN 0.562 nan 8.380 nan 0.000 0.458 35 Y N 1.273 121.567 120.300 -0.009 0.000 2.526 35 Y HA 0.209 4.779 4.550 0.034 0.000 0.328 35 Y C 0.231 176.092 175.900 -0.065 0.000 0.995 35 Y CA -0.298 57.765 58.100 -0.061 0.000 1.304 35 Y CB 0.603 39.017 38.460 -0.076 0.000 1.096 35 Y HN 0.583 nan 8.280 nan 0.000 0.499 36 E N 1.815 121.719 120.200 -0.492 0.000 2.485 36 E HA 0.063 4.433 4.350 0.033 0.000 0.213 36 E C -0.443 175.938 176.600 -0.365 0.000 0.923 36 E CA -0.026 56.093 56.400 -0.469 0.000 1.054 36 E CB 0.617 29.804 29.700 -0.855 0.000 1.077 36 E HN 0.523 nan 8.360 nan 0.000 0.509 37 E N 0.651 120.555 120.200 -0.492 0.000 2.383 37 E HA 0.245 4.615 4.350 0.033 0.000 0.257 37 E C 0.754 177.265 176.600 -0.149 0.000 1.079 37 E CA 0.961 57.239 56.400 -0.202 0.000 0.934 37 E CB 0.567 30.108 29.700 -0.266 0.000 0.978 37 E HN 0.344 nan 8.360 nan 0.000 0.462 38 G N 2.186 110.990 108.800 0.006 0.000 2.218 38 G HA2 -0.202 3.778 3.960 0.033 0.000 0.216 38 G HA3 -0.202 3.778 3.960 0.033 0.000 0.216 38 G C 0.845 175.719 174.900 -0.043 0.000 0.994 38 G CA -0.140 44.981 45.100 0.034 0.000 0.637 38 G HN 0.731 nan 8.290 nan 0.000 0.505 39 G N 0.381 109.157 108.800 -0.039 0.000 3.228 39 G HA2 0.461 4.441 3.960 0.033 0.000 0.245 39 G HA3 0.461 4.441 3.960 0.033 0.000 0.245 39 G C 0.610 175.577 174.900 0.112 0.000 1.051 39 G CA 0.971 46.019 45.100 -0.088 0.000 0.809 39 G HN 0.773 nan 8.290 nan 0.000 0.531 40 E N 0.840 121.158 120.200 0.196 0.000 2.605 40 E HA 0.183 4.553 4.350 0.033 0.000 0.255 40 E C -0.468 176.231 176.600 0.166 0.000 1.369 40 E CA -0.516 56.042 56.400 0.263 0.000 1.017 40 E CB 0.779 30.482 29.700 0.006 0.000 1.086 40 E HN -0.010 nan 8.360 nan 0.000 0.605 41 R N 0.747 121.280 120.500 0.055 0.000 2.522 41 R HA 0.138 4.498 4.340 0.033 0.000 0.284 41 R C 0.103 176.309 176.300 -0.156 0.000 1.032 41 R CA 0.391 56.470 56.100 -0.035 0.000 1.049 41 R CB 0.100 30.362 30.300 -0.062 0.000 0.956 41 R HN 0.490 nan 8.270 nan 0.000 0.422 42 N N 2.550 121.108 118.700 -0.237 0.000 2.647 42 N HA 0.016 4.776 4.740 0.033 0.000 0.259 42 N C 0.542 175.887 175.510 -0.276 0.000 1.098 42 N CA -0.444 52.371 53.050 -0.391 0.000 0.984 42 N CB 1.180 39.139 38.487 -0.879 0.000 1.683 42 N HN 0.571 nan 8.380 nan 0.000 0.501 43 I N 0.538 121.004 120.570 -0.173 0.000 2.700 43 I HA -0.087 4.103 4.170 0.033 0.000 0.261 43 I C 1.148 177.219 176.117 -0.076 0.000 1.219 43 I CA 0.958 62.201 61.300 -0.094 0.000 1.463 43 I CB -0.020 37.942 38.000 -0.064 0.000 1.092 43 I HN 0.405 nan 8.210 nan 0.000 0.452 44 L N 0.557 121.697 121.223 -0.138 0.000 2.376 44 L HA -0.076 4.284 4.340 0.033 0.000 0.219 44 L C 1.898 178.832 176.870 0.107 0.000 1.133 44 L CA 1.081 55.896 54.840 -0.041 0.000 0.816 44 L CB -0.773 41.252 42.059 -0.056 0.000 0.933 44 L HN 0.398 nan 8.230 nan 0.000 0.449 45 H N -1.199 117.859 119.070 -0.019 0.000 2.551 45 H HA 0.195 4.771 4.556 0.033 0.000 0.271 45 H C 1.521 176.844 175.328 -0.008 0.000 0.984 45 H CA 0.229 56.263 56.048 -0.024 0.000 1.164 45 H CB 0.612 30.342 29.762 -0.054 0.000 1.437 45 H HN 0.377 nan 8.280 nan 0.000 0.550 46 G N 1.230 110.087 108.800 0.096 0.000 2.157 46 G HA2 -0.234 3.746 3.960 0.033 0.000 0.239 46 G HA3 -0.234 3.746 3.960 0.033 0.000 0.239 46 G C -0.231 174.691 174.900 0.038 0.000 0.982 46 G CA 0.038 45.175 45.100 0.063 0.000 0.650 46 G HN 0.337 nan 8.290 nan 0.000 0.527 47 D N 0.097 120.509 120.400 0.021 0.000 2.358 47 D HA 0.315 4.975 4.640 0.033 0.000 0.244 47 D C 1.574 177.857 176.300 -0.029 0.000 1.163 47 D CA 0.349 54.342 54.000 -0.011 0.000 0.945 47 D CB 0.682 41.465 40.800 -0.030 0.000 1.152 47 D HN 0.516 nan 8.370 nan 0.000 0.451 48 K N -0.541 119.836 120.400 -0.037 0.000 2.426 48 K HA 0.002 4.342 4.320 0.033 0.000 0.193 48 K C 0.291 176.863 176.600 -0.046 0.000 1.028 48 K CA 0.377 56.641 56.287 -0.038 0.000 1.047 48 K CB 0.330 32.805 32.500 -0.041 0.000 0.821 48 K HN 0.581 nan 8.250 nan 0.000 0.513 49 E N 0.321 120.488 120.200 -0.055 0.000 2.423 49 E HA 0.175 4.545 4.350 0.033 0.000 0.280 49 E C -1.276 175.282 176.600 -0.070 0.000 1.030 49 E CA -1.080 55.286 56.400 -0.057 0.000 0.812 49 E CB 1.079 30.748 29.700 -0.053 0.000 1.313 49 E HN 0.102 nan 8.360 nan 0.000 0.456 50 S N 0.410 116.072 115.700 -0.064 0.000 2.614 50 S HA 0.256 4.746 4.470 0.033 0.000 0.265 50 S C 0.243 174.808 174.600 -0.058 0.000 1.303 50 S CA -0.699 57.456 58.200 -0.074 0.000 1.000 50 S CB 1.154 64.319 63.200 -0.058 0.000 0.935 50 S HN 0.602 nan 8.310 nan 0.000 0.551 51 E N -0.093 120.065 120.200 -0.071 0.000 2.383 51 E HA 0.505 4.875 4.350 0.033 0.000 0.264 51 E C 0.264 176.894 176.600 0.049 0.000 1.050 51 E CA 0.303 56.688 56.400 -0.026 0.000 0.896 51 E CB 0.969 30.590 29.700 -0.132 0.000 0.982 51 E HN 0.776 nan 8.360 nan 0.000 0.424 52 A N 4.282 127.175 122.820 0.123 0.000 2.474 52 A HA 0.188 4.528 4.320 0.033 0.000 0.221 52 A C -0.352 177.400 177.584 0.279 0.000 1.298 52 A CA -0.356 51.773 52.037 0.152 0.000 1.008 52 A CB 0.163 19.214 19.000 0.085 0.000 1.217 52 A HN 0.466 nan 8.150 nan 0.000 0.553 53 F N 1.125 121.171 119.950 0.159 0.000 2.385 53 F HA 0.567 5.114 4.527 0.033 0.000 0.336 53 F C 0.578 176.581 175.800 0.338 0.000 1.100 53 F CA -1.439 56.682 58.000 0.202 0.000 1.116 53 F CB 0.624 39.707 39.000 0.138 0.000 1.166 53 F HN 0.123 nan 8.300 nan 0.000 0.511 54 L N 4.377 125.500 121.223 -0.166 0.000 3.746 54 L HA -0.251 4.109 4.340 0.033 0.000 0.542 54 L C -0.381 176.406 176.870 -0.138 0.000 1.268 54 L CA 0.759 55.424 54.840 -0.292 0.000 0.818 54 L CB -2.080 39.686 42.059 -0.489 0.000 1.472 54 L HN 0.747 nan 8.230 nan 0.000 0.843 55 S N -2.534 113.130 115.700 -0.060 0.000 2.656 55 S HA 0.573 5.063 4.470 0.033 0.000 0.273 55 S C 0.718 175.286 174.600 -0.054 0.000 1.168 55 S CA -0.906 57.253 58.200 -0.068 0.000 0.817 55 S CB 1.956 65.200 63.200 0.073 0.000 1.146 55 S HN 0.187 nan 8.310 nan 0.000 0.475 56 E N 0.517 120.678 120.200 -0.065 0.000 2.265 56 E HA -0.014 4.356 4.350 0.033 0.000 0.196 56 E C 0.341 176.928 176.600 -0.021 0.000 0.996 56 E CA 1.006 57.373 56.400 -0.056 0.000 0.832 56 E CB -0.463 29.190 29.700 -0.078 0.000 0.756 56 E HN 0.645 nan 8.360 nan 0.000 0.491 57 M N 1.942 121.545 119.600 0.005 0.000 3.237 57 M HA -0.001 4.499 4.480 0.033 0.000 0.266 57 M C 1.357 177.673 176.300 0.027 0.000 1.456 57 M CA -0.280 55.031 55.300 0.019 0.000 1.593 57 M CB 0.310 32.932 32.600 0.037 0.000 1.129 57 M HN -0.129 nan 8.290 nan 0.000 0.547 58 V N -1.910 118.011 119.914 0.013 0.000 2.568 58 V HA -0.164 3.976 4.120 0.033 0.000 0.253 58 V C 1.460 177.570 176.094 0.027 0.000 1.072 58 V CA 1.768 64.077 62.300 0.015 0.000 1.084 58 V CB -0.519 31.305 31.823 0.001 0.000 0.676 58 V HN 0.710 nan 8.190 nan 0.000 0.469 59 S N 0.386 116.100 115.700 0.024 0.000 2.572 59 S HA 0.655 5.145 4.470 0.033 0.000 0.228 59 S C 0.976 175.594 174.600 0.030 0.000 0.963 59 S CA 0.144 58.358 58.200 0.024 0.000 0.939 59 S CB -0.075 63.133 63.200 0.013 0.000 0.804 59 S HN 0.886 nan 8.310 nan 0.000 0.480 60 A N 1.861 124.706 122.820 0.042 0.000 2.531 60 A HA 0.347 4.687 4.320 0.033 0.000 0.236 60 A C 0.397 178.006 177.584 0.042 0.000 1.062 60 A CA 0.240 52.304 52.037 0.044 0.000 0.760 60 A CB 0.273 19.311 19.000 0.063 0.000 0.995 60 A HN 0.276 nan 8.150 nan 0.000 0.501 61 Q N 0.885 120.701 119.800 0.026 0.000 2.348 61 Q HA 0.500 4.860 4.340 0.033 0.000 0.271 61 Q C -2.619 173.386 176.000 0.008 0.000 1.067 61 Q CA -2.011 53.801 55.803 0.014 0.000 0.839 61 Q CB 1.277 30.016 28.738 0.002 0.000 1.354 61 Q HN 0.529 nan 8.270 nan 0.000 0.447 62 P HA 0.156 nan 4.420 nan 0.000 0.271 62 P C -0.610 176.677 177.300 -0.020 0.000 1.216 62 P CA 0.049 63.140 63.100 -0.016 0.000 0.776 62 P CB 0.456 32.137 31.700 -0.032 0.000 0.881 63 L N 3.319 124.528 121.223 -0.023 0.000 2.257 63 L HA 0.236 4.596 4.340 0.033 0.000 0.290 63 L C 0.790 177.641 176.870 -0.031 0.000 1.044 63 L CA -0.878 53.948 54.840 -0.024 0.000 0.810 63 L CB 0.676 42.722 42.059 -0.021 0.000 1.193 63 L HN 0.225 nan 8.230 nan 0.000 0.425 64 Q N 2.525 122.306 119.800 -0.030 0.000 2.289 64 Q HA 0.131 4.491 4.340 0.033 0.000 0.273 64 Q C 1.193 177.175 176.000 -0.031 0.000 1.029 64 Q CA 0.685 56.468 55.803 -0.033 0.000 0.896 64 Q CB 0.999 29.718 28.738 -0.032 0.000 1.182 64 Q HN 0.917 nan 8.270 nan 0.000 0.385 65 G N 2.524 111.304 108.800 -0.033 0.000 2.187 65 G HA2 -0.244 3.736 3.960 0.033 0.000 0.261 65 G HA3 -0.244 3.736 3.960 0.033 0.000 0.261 65 G C -0.012 174.870 174.900 -0.030 0.000 1.000 65 G CA 0.426 45.508 45.100 -0.030 0.000 0.718 65 G HN 0.516 nan 8.290 nan 0.000 0.519 66 E N -0.857 119.322 120.200 -0.034 0.000 2.392 66 E HA 0.505 4.875 4.350 0.033 0.000 0.269 66 E C 0.107 176.681 176.600 -0.043 0.000 0.924 66 E CA -0.996 55.384 56.400 -0.032 0.000 0.784 66 E CB 1.373 31.058 29.700 -0.025 0.000 1.292 66 E HN 0.343 nan 8.360 nan 0.000 0.447 67 R N 1.290 121.766 120.500 -0.040 0.000 2.368 67 R HA 0.280 4.640 4.340 0.033 0.000 0.302 67 R C 0.107 176.387 176.300 -0.032 0.000 1.002 67 R CA -0.578 55.494 56.100 -0.047 0.000 0.929 67 R CB 0.695 30.968 30.300 -0.044 0.000 1.073 67 R HN 0.223 nan 8.270 nan 0.000 0.464 68 N N 4.284 122.965 118.700 -0.033 0.000 2.589 68 N HA 0.041 4.801 4.740 0.033 0.000 0.232 68 N C 0.720 176.228 175.510 -0.004 0.000 1.015 68 N CA -0.195 52.847 53.050 -0.014 0.000 0.931 68 N CB 0.859 39.342 38.487 -0.008 0.000 1.150 68 N HN 0.528 nan 8.380 nan 0.000 0.512 69 M N 1.149 120.750 119.600 0.002 0.000 2.117 69 M HA -0.143 4.357 4.480 0.033 0.000 0.262 69 M C 2.048 178.364 176.300 0.027 0.000 1.065 69 M CA 1.100 56.407 55.300 0.011 0.000 1.114 69 M CB -1.486 31.120 32.600 0.010 0.000 1.361 69 M HN 0.609 nan 8.290 nan 0.000 0.408 70 S N 0.303 116.019 115.700 0.027 0.000 2.368 70 S HA -0.184 4.306 4.470 0.033 0.000 0.225 70 S C 1.987 176.624 174.600 0.062 0.000 1.030 70 S CA 1.530 59.752 58.200 0.037 0.000 0.999 70 S CB -0.631 62.585 63.200 0.027 0.000 0.844 70 S HN 0.384 nan 8.310 nan 0.000 0.459 71 M N 2.241 121.881 119.600 0.067 0.000 2.117 71 M HA -0.028 4.472 4.480 0.033 0.000 0.262 71 M C 1.976 178.368 176.300 0.153 0.000 1.065 71 M CA 1.697 57.067 55.300 0.116 0.000 1.114 71 M CB -0.798 31.847 32.600 0.074 0.000 1.361 71 M HN 0.401 nan 8.290 nan 0.000 0.408 72 E N -1.226 119.017 120.200 0.073 0.000 2.110 72 E HA -0.189 4.180 4.350 0.033 0.000 0.193 72 E C 2.100 178.781 176.600 0.134 0.000 0.988 72 E CA 1.465 57.907 56.400 0.071 0.000 0.804 72 E CB -0.310 29.401 29.700 0.019 0.000 0.745 72 E HN 0.542 nan 8.360 nan 0.000 0.458 73 S N 0.488 116.253 115.700 0.108 0.000 2.368 73 S HA -0.091 4.399 4.470 0.033 0.000 0.224 73 S C 1.983 176.662 174.600 0.133 0.000 1.029 73 S CA 0.689 58.952 58.200 0.106 0.000 0.988 73 S CB -0.110 63.135 63.200 0.074 0.000 0.838 73 S HN 0.145 nan 8.310 nan 0.000 0.462 74 L N -0.322 120.977 121.223 0.126 0.000 2.083 74 L HA -0.120 4.240 4.340 0.033 0.000 0.209 74 L C 2.247 179.162 176.870 0.074 0.000 1.083 74 L CA 1.440 56.328 54.840 0.080 0.000 0.752 74 L CB -0.636 41.450 42.059 0.045 0.000 0.899 74 L HN 0.353 nan 8.230 nan 0.000 0.433 75 Y N 0.501 120.820 120.300 0.032 0.000 2.181 75 Y HA -0.245 4.326 4.550 0.035 0.000 0.288 75 Y C 2.576 178.492 175.900 0.028 0.000 1.146 75 Y CA 1.468 59.573 58.100 0.008 0.000 1.164 75 Y CB -0.264 38.192 38.460 -0.007 0.000 0.982 75 Y HN 0.203 nan 8.280 nan 0.000 0.515 76 E N -1.358 118.958 120.200 0.194 0.000 2.204 76 E HA -0.276 4.094 4.350 0.033 0.000 0.195 76 E C 1.711 178.388 176.600 0.129 0.000 0.990 76 E CA 1.179 57.662 56.400 0.139 0.000 0.821 76 E CB -0.399 29.375 29.700 0.123 0.000 0.750 76 E HN 0.564 nan 8.360 nan 0.000 0.477 77 Y N 1.019 121.335 120.300 0.027 0.000 2.207 77 Y HA -0.218 4.354 4.550 0.036 0.000 0.287 77 Y C 2.290 178.196 175.900 0.010 0.000 1.156 77 Y CA 1.814 59.923 58.100 0.016 0.000 1.182 77 Y CB -0.503 37.946 38.460 -0.018 0.000 0.979 77 Y HN 0.013 nan 8.280 nan 0.000 0.521 78 G N -1.185 107.659 108.800 0.074 0.000 2.402 78 G HA2 -0.268 3.712 3.960 0.033 0.000 0.216 78 G HA3 -0.268 3.712 3.960 0.033 0.000 0.216 78 G C 1.784 176.660 174.900 -0.040 0.000 1.162 78 G CA 1.192 46.282 45.100 -0.017 0.000 0.777 78 G HN 0.521 nan 8.290 nan 0.000 0.539 79 S N 0.243 115.953 115.700 0.017 0.000 2.425 79 S HA 0.077 4.566 4.470 0.033 0.000 0.225 79 S C 2.215 176.924 174.600 0.183 0.000 1.024 79 S CA 0.540 58.829 58.200 0.148 0.000 0.951 79 S CB -0.153 63.186 63.200 0.232 0.000 0.796 79 S HN 0.396 nan 8.310 nan 0.000 0.498 80 R N 1.110 121.677 120.500 0.111 0.000 2.090 80 R HA 0.263 4.623 4.340 0.033 0.000 0.228 80 R C 2.205 178.588 176.300 0.139 0.000 1.110 80 R CA 1.307 57.493 56.100 0.143 0.000 0.973 80 R CB -0.241 30.090 30.300 0.053 0.000 0.869 80 R HN 0.572 nan 8.270 nan 0.000 0.440 81 A N -0.746 122.000 122.820 -0.124 0.000 1.852 81 A HA 0.253 4.593 4.320 0.033 0.000 0.205 81 A C 2.088 179.566 177.584 -0.178 0.000 1.757 81 A CA 0.430 52.338 52.037 -0.215 0.000 1.088 81 A CB -0.663 17.926 19.000 -0.684 0.000 1.079 81 A HN 0.295 nan 8.150 nan 0.000 0.524 82 G N -0.042 108.559 108.800 -0.332 0.000 2.440 82 G HA2 -0.131 3.849 3.960 0.033 0.000 0.218 82 G HA3 -0.131 3.849 3.960 0.033 0.000 0.218 82 G C 1.606 176.479 174.900 -0.045 0.000 1.154 82 G CA 1.550 46.597 45.100 -0.087 0.000 0.767 82 G HN 0.688 nan 8.290 nan 0.000 0.552 83 V N 0.001 119.828 119.914 -0.144 0.000 2.332 83 V HA -0.175 3.965 4.120 0.033 0.000 0.248 83 V C 2.441 178.387 176.094 -0.246 0.000 1.055 83 V CA 2.328 64.477 62.300 -0.253 0.000 1.038 83 V CB -0.416 31.137 31.823 -0.450 0.000 0.651 83 V HN 0.632 nan 8.190 nan 0.000 0.450 84 W N 0.118 121.417 121.300 -0.001 0.000 2.388 84 W HA -0.081 4.599 4.660 0.033 0.000 0.294 84 W C 2.720 179.250 176.519 0.018 0.000 1.212 84 W CA 1.447 58.793 57.345 0.001 0.000 1.271 84 W CB -0.473 28.980 29.460 -0.011 0.000 1.126 84 W HN 0.116 nan 8.180 nan 0.000 0.535 85 R N 0.901 121.527 120.500 0.210 0.000 2.091 85 R HA -0.177 4.183 4.340 0.033 0.000 0.238 85 R C 1.866 178.240 176.300 0.123 0.000 1.136 85 R CA 2.062 58.246 56.100 0.140 0.000 0.959 85 R CB -0.604 29.758 30.300 0.104 0.000 0.856 85 R HN 0.212 nan 8.270 nan 0.000 0.437 86 I N 0.709 121.351 120.570 0.119 0.000 2.202 86 I HA -0.274 3.916 4.170 0.033 0.000 0.242 86 I C 2.200 178.464 176.117 0.246 0.000 1.091 86 I CA 1.043 62.444 61.300 0.168 0.000 1.368 86 I CB -0.225 37.875 38.000 0.167 0.000 1.058 86 I HN 0.197 nan 8.210 nan 0.000 0.410 87 L N 0.519 121.845 121.223 0.172 0.000 2.042 87 L HA -0.241 4.119 4.340 0.033 0.000 0.210 87 L C 2.544 179.551 176.870 0.229 0.000 1.076 87 L CA 1.580 56.541 54.840 0.202 0.000 0.749 87 L CB -0.635 41.506 42.059 0.136 0.000 0.893 87 L HN 0.189 nan 8.230 nan 0.000 0.432 88 K N -0.247 120.264 120.400 0.184 0.000 2.097 88 K HA -0.202 4.138 4.320 0.033 0.000 0.206 88 K C 2.033 178.694 176.600 0.101 0.000 1.049 88 K CA 1.162 57.528 56.287 0.132 0.000 0.933 88 K CB -0.223 32.342 32.500 0.108 0.000 0.717 88 K HN 0.092 nan 8.250 nan 0.000 0.442 89 L N 0.257 121.534 121.223 0.091 0.000 2.017 89 L HA -0.113 4.247 4.340 0.033 0.000 0.208 89 L C 1.833 178.720 176.870 0.028 0.000 1.073 89 L CA 1.708 56.560 54.840 0.021 0.000 0.745 89 L CB -0.435 41.559 42.059 -0.108 0.000 0.894 89 L HN 0.018 nan 8.230 nan 0.000 0.432 90 F N 0.026 120.014 119.950 0.063 0.000 2.186 90 F HA -0.151 4.395 4.527 0.032 0.000 0.299 90 F C 2.494 178.337 175.800 0.071 0.000 1.090 90 F CA 1.603 59.618 58.000 0.026 0.000 1.307 90 F CB -0.522 38.443 39.000 -0.059 0.000 1.019 90 F HN 0.095 nan 8.300 nan 0.000 0.489 91 K N 1.072 121.616 120.400 0.239 0.000 2.097 91 K HA -0.094 4.246 4.320 0.033 0.000 0.206 91 K C 2.039 178.651 176.600 0.021 0.000 1.049 91 K CA 1.386 57.746 56.287 0.122 0.000 0.933 91 K CB -0.679 31.878 32.500 0.095 0.000 0.717 91 K HN 0.113 nan 8.250 nan 0.000 0.442 92 A N -0.775 122.027 122.820 -0.030 0.000 2.076 92 A HA -0.065 4.275 4.320 0.033 0.000 0.220 92 A C 1.515 178.839 177.584 -0.434 0.000 1.160 92 A CA 1.304 53.198 52.037 -0.238 0.000 0.653 92 A CB -0.573 18.235 19.000 -0.320 0.000 0.801 92 A HN 0.365 nan 8.150 nan 0.000 0.455 93 F N -0.594 119.286 119.950 -0.116 0.000 2.678 93 F HA 0.182 4.730 4.527 0.036 0.000 0.305 93 F C 0.056 175.760 175.800 -0.161 0.000 1.090 93 F CA -0.170 57.728 58.000 -0.170 0.000 1.272 93 F CB 0.471 39.312 39.000 -0.266 0.000 1.060 93 F HN 0.132 nan 8.300 nan 0.000 0.576 94 D N 1.347 121.767 120.400 0.034 0.000 2.772 94 D HA -0.210 4.450 4.640 0.033 0.000 0.233 94 D C -0.118 176.198 176.300 0.025 0.000 1.143 94 D CA 0.716 54.729 54.000 0.022 0.000 0.700 94 D CB -1.406 39.389 40.800 -0.010 0.000 1.076 94 D HN 0.257 nan 8.370 nan 0.000 0.430 95 I N 1.306 121.922 120.570 0.077 0.000 2.331 95 I HA 0.243 4.433 4.170 0.033 0.000 0.292 95 I C -1.755 174.456 176.117 0.156 0.000 0.998 95 I CA -1.762 59.583 61.300 0.075 0.000 1.267 95 I CB 1.525 39.559 38.000 0.056 0.000 1.386 95 I HN -0.259 nan 8.210 nan 0.000 0.476 96 P HA 0.331 nan 4.420 nan 0.000 0.278 96 P C -1.053 176.215 177.300 -0.054 0.000 1.238 96 P CA -0.254 62.937 63.100 0.152 0.000 0.794 96 P CB 1.271 33.032 31.700 0.103 0.000 0.955 97 L N 1.179 122.283 121.223 -0.197 0.000 2.333 97 L HA 0.494 4.854 4.340 0.033 0.000 0.269 97 L C 0.411 177.132 176.870 -0.248 0.000 1.010 97 L CA -0.582 53.967 54.840 -0.485 0.000 0.818 97 L CB 2.095 43.538 42.059 -1.027 0.000 1.306 97 L HN 0.249 nan 8.230 nan 0.000 0.430 98 T N 3.004 117.405 114.554 -0.256 0.000 2.758 98 T HA 0.474 4.844 4.350 0.033 0.000 0.285 98 T C -0.153 174.406 174.700 -0.234 0.000 0.981 98 T CA -0.385 61.614 62.100 -0.169 0.000 0.965 98 T CB 0.918 69.709 68.868 -0.128 0.000 0.927 98 T HN 0.138 nan 8.240 nan 0.000 0.448 99 I N 4.095 124.609 120.570 -0.093 0.000 2.301 99 I HA 0.218 4.408 4.170 0.033 0.000 0.292 99 I C -0.091 176.121 176.117 0.158 0.000 1.046 99 I CA -0.945 60.324 61.300 -0.052 0.000 1.282 99 I CB -0.028 37.951 38.000 -0.034 0.000 1.409 99 I HN 0.537 nan 8.210 nan 0.000 0.484 100 F N 5.382 125.266 119.950 -0.110 0.000 2.651 100 F HA 0.251 4.798 4.527 0.033 0.000 0.347 100 F C 1.050 176.909 175.800 0.099 0.000 1.284 100 F CA -1.026 56.916 58.000 -0.097 0.000 1.175 100 F CB -0.559 38.251 39.000 -0.316 0.000 1.542 100 F HN 0.450 nan 8.300 nan 0.000 0.661 101 A N 3.386 126.358 122.820 0.252 0.000 2.269 101 A HA 0.538 4.878 4.320 0.033 0.000 0.302 101 A C -0.164 177.523 177.584 0.172 0.000 1.266 101 A CA -0.530 51.637 52.037 0.217 0.000 0.894 101 A CB 0.258 19.337 19.000 0.132 0.000 1.147 101 A HN 0.285 nan 8.150 nan 0.000 0.537 102 V N 3.388 123.388 119.914 0.143 0.000 2.521 102 V HA 0.188 4.328 4.120 0.033 0.000 0.286 102 V C 1.636 177.779 176.094 0.082 0.000 1.034 102 V CA 0.705 63.027 62.300 0.036 0.000 1.045 102 V CB 0.563 32.349 31.823 -0.062 0.000 0.974 102 V HN 1.091 nan 8.190 nan 0.000 0.480 103 A N 5.169 128.045 122.820 0.093 0.000 1.902 103 A HA -0.203 4.137 4.320 0.033 0.000 0.217 103 A C 2.041 179.704 177.584 0.132 0.000 1.181 103 A CA 2.143 54.271 52.037 0.151 0.000 0.623 103 A CB -0.435 18.710 19.000 0.241 0.000 0.818 103 A HN 0.875 nan 8.150 nan 0.000 0.443 104 M N -0.321 119.295 119.600 0.026 0.000 2.108 104 M HA -0.150 4.350 4.480 0.033 0.000 0.261 104 M C 2.265 178.557 176.300 -0.014 0.000 1.066 104 M CA 1.786 57.041 55.300 -0.076 0.000 1.107 104 M CB -0.262 32.108 32.600 -0.382 0.000 1.356 104 M HN 0.421 nan 8.290 nan 0.000 0.406 105 A N 0.348 123.174 122.820 0.010 0.000 1.877 105 A HA -0.093 4.247 4.320 0.033 0.000 0.216 105 A C 2.333 180.091 177.584 0.289 0.000 1.186 105 A CA 2.066 54.159 52.037 0.093 0.000 0.620 105 A CB -1.317 17.675 19.000 -0.012 0.000 0.822 105 A HN 0.675 nan 8.150 nan 0.000 0.443 106 A N 0.287 123.264 122.820 0.261 0.000 1.908 106 A HA -0.263 4.077 4.320 0.033 0.000 0.218 106 A C 2.241 179.908 177.584 0.139 0.000 1.181 106 A CA 1.996 54.139 52.037 0.177 0.000 0.627 106 A CB -0.745 18.318 19.000 0.106 0.000 0.818 106 A HN 0.815 nan 8.150 nan 0.000 0.445 107 Q N -0.806 119.069 119.800 0.125 0.000 2.230 107 Q HA -0.082 4.278 4.340 0.033 0.000 0.202 107 Q C 1.803 177.869 176.000 0.110 0.000 0.963 107 Q CA 1.155 57.021 55.803 0.105 0.000 0.866 107 Q CB -0.276 28.521 28.738 0.098 0.000 0.931 107 Q HN 0.646 nan 8.270 nan 0.000 0.452 108 R N -0.370 120.204 120.500 0.124 0.000 2.276 108 R HA 0.017 4.377 4.340 0.033 0.000 0.203 108 R C 0.251 176.659 176.300 0.181 0.000 1.017 108 R CA 0.853 57.026 56.100 0.121 0.000 1.010 108 R CB 0.041 30.401 30.300 0.100 0.000 0.900 108 R HN 0.443 nan 8.270 nan 0.000 0.469 109 H N 0.055 119.191 119.070 0.109 0.000 2.695 109 H HA 0.159 4.735 4.556 0.033 0.000 0.222 109 H C -1.915 173.432 175.328 0.031 0.000 1.412 109 H CA -1.723 54.382 56.048 0.095 0.000 1.347 109 H CB 1.105 30.955 29.762 0.147 0.000 1.858 109 H HN -0.096 nan 8.280 nan 0.000 0.519 110 P HA -0.167 nan 4.420 nan 0.000 0.219 110 P C 0.619 177.968 177.300 0.082 0.000 1.146 110 P CA 1.152 64.314 63.100 0.103 0.000 0.808 110 P CB 0.462 32.218 31.700 0.094 0.000 0.779 111 D N 0.060 120.580 120.400 0.201 0.000 2.149 111 D HA -0.131 4.529 4.640 0.033 0.000 0.198 111 D C 2.016 178.342 176.300 0.044 0.000 0.990 111 D CA 0.609 54.722 54.000 0.188 0.000 0.839 111 D CB -1.381 39.637 40.800 0.364 0.000 0.948 111 D HN 0.059 nan 8.370 nan 0.000 0.460 112 V N 0.531 120.272 119.914 -0.289 0.000 2.453 112 V HA -0.153 3.987 4.120 0.033 0.000 0.247 112 V C 1.906 177.756 176.094 -0.406 0.000 1.048 112 V CA 0.978 62.924 62.300 -0.590 0.000 1.049 112 V CB -0.271 30.818 31.823 -1.224 0.000 0.672 112 V HN 0.103 nan 8.190 nan 0.000 0.457 113 I N 0.174 120.554 120.570 -0.317 0.000 2.226 113 I HA -0.203 3.987 4.170 0.033 0.000 0.245 113 I C 2.650 178.711 176.117 -0.093 0.000 1.100 113 I CA 1.658 62.840 61.300 -0.197 0.000 1.374 113 I CB -1.490 36.436 38.000 -0.124 0.000 1.057 113 I HN 0.347 nan 8.210 nan 0.000 0.413 114 R N 0.703 121.175 120.500 -0.046 0.000 2.091 114 R HA -0.155 4.205 4.340 0.033 0.000 0.238 114 R C 2.382 178.684 176.300 0.004 0.000 1.136 114 R CA 1.683 57.781 56.100 -0.003 0.000 0.959 114 R CB -0.419 29.899 30.300 0.029 0.000 0.856 114 R HN 0.385 nan 8.270 nan 0.000 0.437 115 A N 0.777 123.610 122.820 0.022 0.000 1.933 115 A HA -0.183 4.157 4.320 0.033 0.000 0.218 115 A C 2.144 179.732 177.584 0.006 0.000 1.175 115 A CA 1.422 53.494 52.037 0.058 0.000 0.628 115 A CB -0.379 18.728 19.000 0.179 0.000 0.814 115 A HN 0.212 nan 8.150 nan 0.000 0.444 116 M N -0.933 118.649 119.600 -0.030 0.000 2.132 116 M HA -0.116 4.384 4.480 0.033 0.000 0.263 116 M C 2.087 178.372 176.300 -0.024 0.000 1.065 116 M CA 1.345 56.659 55.300 0.023 0.000 1.122 116 M CB -0.366 32.224 32.600 -0.016 0.000 1.365 116 M HN 0.240 nan 8.290 nan 0.000 0.411 117 V N 0.366 120.264 119.914 -0.027 0.000 2.343 117 V HA -0.254 3.886 4.120 0.033 0.000 0.247 117 V C 2.605 178.665 176.094 -0.056 0.000 1.051 117 V CA 1.977 64.260 62.300 -0.029 0.000 1.036 117 V CB -1.276 30.541 31.823 -0.010 0.000 0.654 117 V HN 0.532 nan 8.190 nan 0.000 0.451 118 A N -0.008 122.782 122.820 -0.049 0.000 1.978 118 A HA -0.104 4.236 4.320 0.033 0.000 0.220 118 A C 2.293 179.816 177.584 -0.102 0.000 1.170 118 A CA 1.978 53.984 52.037 -0.051 0.000 0.636 118 A CB -0.597 18.389 19.000 -0.023 0.000 0.810 118 A HN 0.603 nan 8.150 nan 0.000 0.448 119 A N -2.072 120.636 122.820 -0.188 0.000 2.167 119 A HA 0.391 4.731 4.320 0.033 0.000 0.214 119 A C 1.865 179.186 177.584 -0.439 0.000 1.151 119 A CA 1.302 53.127 52.037 -0.353 0.000 0.735 119 A CB -0.789 17.872 19.000 -0.565 0.000 0.802 119 A HN 1.900 nan 8.150 nan 0.000 0.467 120 G N -1.371 107.257 108.800 -0.287 0.000 2.141 120 G HA2 -0.240 3.740 3.960 0.033 0.000 0.242 120 G HA3 -0.240 3.740 3.960 0.033 0.000 0.242 120 G C -0.028 174.817 174.900 -0.092 0.000 0.982 120 G CA 0.279 45.288 45.100 -0.151 0.000 0.662 120 G HN 0.800 nan 8.290 nan 0.000 0.527 121 H N 0.527 119.582 119.070 -0.025 0.000 2.732 121 H HA 0.416 4.993 4.556 0.035 0.000 0.351 121 H C 0.601 175.916 175.328 -0.021 0.000 1.090 121 H CA 0.105 56.126 56.048 -0.044 0.000 1.431 121 H CB 0.929 30.641 29.762 -0.082 0.000 1.447 121 H HN 0.377 nan 8.280 nan 0.000 0.582 122 E N 3.224 123.499 120.200 0.124 0.000 2.316 122 E HA 0.040 4.410 4.350 0.033 0.000 0.275 122 E C -0.567 176.088 176.600 0.092 0.000 1.029 122 E CA -0.676 55.783 56.400 0.099 0.000 0.871 122 E CB 0.488 30.253 29.700 0.108 0.000 1.022 122 E HN 0.385 nan 8.360 nan 0.000 0.418 123 I N 5.644 126.268 120.570 0.091 0.000 2.291 123 I HA 0.105 4.295 4.170 0.033 0.000 0.290 123 I C 0.312 176.500 176.117 0.119 0.000 1.050 123 I CA -0.545 60.807 61.300 0.087 0.000 1.245 123 I CB -0.113 37.923 38.000 0.060 0.000 1.405 123 I HN 0.531 nan 8.210 nan 0.000 0.478 124 C N 5.209 124.599 119.300 0.151 0.000 2.365 124 C HA 0.499 4.979 4.460 0.033 0.000 0.351 124 C C 1.052 176.071 174.990 0.049 0.000 1.240 124 C CA -0.252 58.851 59.018 0.141 0.000 2.062 124 C CB 1.216 29.119 27.740 0.271 0.000 2.387 124 C HN 0.860 nan 8.230 nan 0.000 0.537 125 S N 2.344 118.027 115.700 -0.028 0.000 2.510 125 S HA 0.152 4.642 4.470 0.033 0.000 0.279 125 S C 0.387 174.667 174.600 -0.535 0.000 1.284 125 S CA 0.144 58.230 58.200 -0.190 0.000 1.059 125 S CB -0.040 63.112 63.200 -0.079 0.000 0.901 125 S HN 0.970 nan 8.310 nan 0.000 0.491 126 H N 3.214 121.988 119.070 -0.494 0.000 2.486 126 H HA 0.427 5.003 4.556 0.032 0.000 0.284 126 H C 0.849 175.878 175.328 -0.498 0.000 1.103 126 H CA 0.067 55.815 56.048 -0.500 0.000 1.089 126 H CB -0.431 29.270 29.762 -0.102 0.000 1.603 126 H HN 1.038 nan 8.280 nan 0.000 0.557 127 G N 0.337 108.714 108.800 -0.705 0.000 2.707 127 G HA2 -0.350 3.630 3.960 0.033 0.000 0.686 127 G HA3 -0.350 3.630 3.960 0.033 0.000 0.686 127 G C -0.382 174.540 174.900 0.037 0.000 1.315 127 G CA -0.033 44.847 45.100 -0.368 0.000 0.832 127 G HN 0.311 nan 8.290 nan 0.000 0.573 128 Y N 1.297 121.656 120.300 0.099 0.000 2.220 128 Y HA 0.282 4.853 4.550 0.034 0.000 0.291 128 Y C 1.549 177.475 175.900 0.044 0.000 1.129 128 Y CA 1.973 60.107 58.100 0.056 0.000 1.161 128 Y CB 0.204 38.660 38.460 -0.007 0.000 0.997 128 Y HN 0.558 nan 8.280 nan 0.000 0.522 129 R N -1.222 119.277 120.500 -0.001 0.000 2.750 129 R HA 0.097 4.457 4.340 0.033 0.000 0.281 129 R C -1.834 174.553 176.300 0.145 0.000 0.972 129 R CA -0.803 55.243 56.100 -0.089 0.000 0.912 129 R CB 0.366 30.618 30.300 -0.080 0.000 1.187 129 R HN 0.288 nan 8.270 nan 0.000 0.464 130 W N 5.531 126.778 121.300 -0.087 0.000 1.978 130 W HA 0.417 5.095 4.660 0.030 0.000 0.373 130 W C -0.380 176.137 176.519 -0.003 0.000 0.813 130 W CA -0.520 56.788 57.345 -0.062 0.000 1.571 130 W CB -0.211 29.195 29.460 -0.091 0.000 1.746 130 W HN 0.550 nan 8.180 nan 0.000 0.302 131 I N 0.106 120.542 120.570 -0.223 0.000 3.279 131 I HA 0.540 4.730 4.170 0.033 0.000 0.315 131 I C -0.764 175.120 176.117 -0.388 0.000 1.187 131 I CA -1.300 59.791 61.300 -0.349 0.000 0.953 131 I CB 1.951 39.766 38.000 -0.310 0.000 1.279 131 I HN -0.101 nan 8.210 nan 0.000 0.465 132 D N 0.929 121.105 120.400 -0.373 0.000 2.295 132 D HA 0.256 4.916 4.640 0.033 0.000 0.248 132 D C -0.459 175.658 176.300 -0.305 0.000 1.154 132 D CA 0.209 54.047 54.000 -0.269 0.000 0.857 132 D CB 0.612 41.278 40.800 -0.222 0.000 1.117 132 D HN 0.523 nan 8.370 nan 0.000 0.468 133 Y N 1.961 122.199 120.300 -0.102 0.000 2.468 133 Y HA 0.043 4.612 4.550 0.033 0.000 0.268 133 Y C 2.022 177.847 175.900 -0.126 0.000 1.177 133 Y CA -0.170 57.883 58.100 -0.078 0.000 1.265 133 Y CB 0.212 38.648 38.460 -0.040 0.000 1.103 133 Y HN 0.454 nan 8.280 nan 0.000 0.522 134 Q N 0.054 119.782 119.800 -0.121 0.000 2.096 134 Q HA -0.245 4.115 4.340 0.033 0.000 0.208 134 Q C 0.737 176.478 176.000 -0.431 0.000 0.993 134 Q CA 2.273 57.862 55.803 -0.357 0.000 0.862 134 Q CB -0.372 27.988 28.738 -0.629 0.000 0.915 134 Q HN 0.586 nan 8.270 nan 0.000 0.416 135 Y N -1.093 119.183 120.300 -0.040 0.000 2.458 135 Y HA 0.316 4.886 4.550 0.033 0.000 0.256 135 Y C 0.527 176.403 175.900 -0.039 0.000 1.159 135 Y CA -0.365 57.710 58.100 -0.042 0.000 1.261 135 Y CB 0.067 38.492 38.460 -0.057 0.000 1.119 135 Y HN 0.126 nan 8.280 nan 0.000 0.524 136 M N 2.503 122.143 119.600 0.067 0.000 2.245 136 M HA 0.050 4.550 4.480 0.033 0.000 0.344 136 M C 0.010 176.330 176.300 0.034 0.000 1.170 136 M CA -0.232 55.089 55.300 0.034 0.000 1.135 136 M CB 0.450 33.062 32.600 0.020 0.000 1.574 136 M HN 0.268 nan 8.290 nan 0.000 0.452 137 D N 3.571 123.981 120.400 0.015 0.000 2.399 137 D HA -0.084 4.576 4.640 0.033 0.000 0.241 137 D C 0.282 176.582 176.300 -0.000 0.000 1.133 137 D CA -0.063 53.941 54.000 0.008 0.000 0.890 137 D CB 0.737 41.539 40.800 0.003 0.000 1.201 137 D HN 0.874 nan 8.370 nan 0.000 0.432 138 E N 1.573 121.769 120.200 -0.007 0.000 2.085 138 E HA -0.253 4.117 4.350 0.033 0.000 0.194 138 E C 1.942 178.530 176.600 -0.019 0.000 0.994 138 E CA 1.402 57.790 56.400 -0.019 0.000 0.801 138 E CB -0.150 29.535 29.700 -0.026 0.000 0.743 138 E HN 0.633 nan 8.360 nan 0.000 0.453 139 A N 1.045 123.858 122.820 -0.011 0.000 1.865 139 A HA -0.292 4.048 4.320 0.033 0.000 0.217 139 A C 2.182 179.768 177.584 0.003 0.000 1.191 139 A CA 1.924 53.958 52.037 -0.004 0.000 0.623 139 A CB -0.784 18.217 19.000 0.002 0.000 0.826 139 A HN 0.453 nan 8.150 nan 0.000 0.444 140 Q N -0.801 118.995 119.800 -0.006 0.000 2.079 140 Q HA -0.227 4.133 4.340 0.033 0.000 0.200 140 Q C 2.107 178.067 176.000 -0.066 0.000 0.974 140 Q CA 1.784 57.572 55.803 -0.025 0.000 0.840 140 Q CB -0.137 28.561 28.738 -0.066 0.000 0.898 140 Q HN 0.820 nan 8.270 nan 0.000 0.430 141 E N 0.230 120.407 120.200 -0.039 0.000 2.077 141 E HA -0.236 4.134 4.350 0.033 0.000 0.193 141 E C 2.117 178.723 176.600 0.009 0.000 0.989 141 E CA 0.879 57.283 56.400 0.006 0.000 0.800 141 E CB -0.040 29.669 29.700 0.014 0.000 0.746 141 E HN 0.208 nan 8.360 nan 0.000 0.452 142 R N 0.376 120.867 120.500 -0.015 0.000 2.081 142 R HA -0.202 4.158 4.340 0.033 0.000 0.235 142 R C 2.213 178.533 176.300 0.033 0.000 1.131 142 R CA 1.787 57.872 56.100 -0.024 0.000 0.960 142 R CB -0.119 30.161 30.300 -0.033 0.000 0.856 142 R HN 0.059 nan 8.270 nan 0.000 0.436 143 E N 0.086 120.330 120.200 0.074 0.000 2.072 143 E HA -0.177 4.193 4.350 0.033 0.000 0.191 143 E C 1.645 178.347 176.600 0.170 0.000 0.985 143 E CA 1.685 58.146 56.400 0.101 0.000 0.801 143 E CB -0.300 29.467 29.700 0.110 0.000 0.750 143 E HN 0.532 nan 8.360 nan 0.000 0.452 144 H N -0.618 118.508 119.070 0.093 0.000 2.353 144 H HA -0.152 4.424 4.556 0.033 0.000 0.298 144 H C 2.248 177.690 175.328 0.190 0.000 1.103 144 H CA 1.517 57.676 56.048 0.185 0.000 1.293 144 H CB -0.106 29.899 29.762 0.404 0.000 1.372 144 H HN 0.264 nan 8.280 nan 0.000 0.501 145 M N 0.810 120.573 119.600 0.272 0.000 2.117 145 M HA -0.164 4.336 4.480 0.033 0.000 0.262 145 M C 1.991 178.408 176.300 0.196 0.000 1.065 145 M CA 1.445 56.880 55.300 0.225 0.000 1.114 145 M CB 0.005 32.515 32.600 -0.150 0.000 1.361 145 M HN 0.188 nan 8.290 nan 0.000 0.408 146 L N -0.095 121.182 121.223 0.090 0.000 2.046 146 L HA -0.203 4.157 4.340 0.033 0.000 0.208 146 L C 2.466 179.354 176.870 0.030 0.000 1.077 146 L CA 1.392 56.263 54.840 0.051 0.000 0.747 146 L CB -0.781 41.286 42.059 0.013 0.000 0.896 146 L HN 0.352 nan 8.230 nan 0.000 0.432 147 E N 0.605 120.783 120.200 -0.037 0.000 2.072 147 E HA -0.184 4.186 4.350 0.033 0.000 0.191 147 E C 2.126 178.687 176.600 -0.064 0.000 0.985 147 E CA 1.482 57.781 56.400 -0.168 0.000 0.801 147 E CB -0.115 29.278 29.700 -0.512 0.000 0.750 147 E HN 0.344 nan 8.360 nan 0.000 0.452 148 A N 0.650 123.518 122.820 0.080 0.000 1.883 148 A HA -0.192 4.148 4.320 0.033 0.000 0.217 148 A C 2.378 180.079 177.584 0.195 0.000 1.186 148 A CA 1.806 53.972 52.037 0.215 0.000 0.624 148 A CB -0.863 18.343 19.000 0.344 0.000 0.822 148 A HN 0.367 nan 8.150 nan 0.000 0.444 149 I N -0.892 119.811 120.570 0.221 0.000 2.226 149 I HA -0.298 3.892 4.170 0.033 0.000 0.245 149 I C 2.795 178.959 176.117 0.078 0.000 1.100 149 I CA 1.500 62.898 61.300 0.162 0.000 1.374 149 I CB -0.381 37.693 38.000 0.122 0.000 1.057 149 I HN 0.299 nan 8.210 nan 0.000 0.413 150 R N 0.716 121.246 120.500 0.049 0.000 2.080 150 R HA -0.168 4.192 4.340 0.033 0.000 0.236 150 R C 2.366 178.686 176.300 0.034 0.000 1.137 150 R CA 1.672 57.786 56.100 0.023 0.000 0.943 150 R CB -0.565 29.733 30.300 -0.002 0.000 0.846 150 R HN 0.336 nan 8.270 nan 0.000 0.431 151 I N 1.002 121.600 120.570 0.047 0.000 2.127 151 I HA -0.314 3.876 4.170 0.033 0.000 0.241 151 I C 2.295 178.451 176.117 0.066 0.000 1.075 151 I CA 1.475 62.812 61.300 0.062 0.000 1.334 151 I CB -0.286 37.772 38.000 0.097 0.000 1.040 151 I HN 0.145 nan 8.210 nan 0.000 0.405 152 L N -0.353 120.918 121.223 0.080 0.000 2.156 152 L HA -0.139 4.221 4.340 0.033 0.000 0.208 152 L C 2.577 179.479 176.870 0.054 0.000 1.095 152 L CA 1.157 56.040 54.840 0.073 0.000 0.770 152 L CB -0.994 41.121 42.059 0.093 0.000 0.914 152 L HN 0.242 nan 8.230 nan 0.000 0.439 153 T N -0.393 114.189 114.554 0.047 0.000 2.720 153 T HA -0.202 4.168 4.350 0.033 0.000 0.268 153 T C 1.737 176.453 174.700 0.026 0.000 1.037 153 T CA 1.540 63.658 62.100 0.030 0.000 1.144 153 T CB -0.162 68.716 68.868 0.016 0.000 0.864 153 T HN 0.411 nan 8.240 nan 0.000 0.444 154 E N 0.610 120.827 120.200 0.029 0.000 2.072 154 E HA -0.017 4.353 4.350 0.033 0.000 0.191 154 E C 2.227 178.843 176.600 0.027 0.000 0.985 154 E CA 0.810 57.226 56.400 0.026 0.000 0.801 154 E CB -0.225 29.491 29.700 0.027 0.000 0.750 154 E HN 0.394 nan 8.360 nan 0.000 0.452 155 L N 0.540 121.782 121.223 0.032 0.000 2.072 155 L HA -0.119 4.241 4.340 0.033 0.000 0.205 155 L C 2.842 179.725 176.870 0.021 0.000 1.079 155 L CA 1.546 56.403 54.840 0.028 0.000 0.752 155 L CB -0.485 41.592 42.059 0.030 0.000 0.906 155 L HN 0.317 nan 8.230 nan 0.000 0.436 156 T N -4.182 110.387 114.554 0.024 0.000 3.009 156 T HA 0.152 4.522 4.350 0.033 0.000 0.258 156 T C 1.534 176.246 174.700 0.021 0.000 1.063 156 T CA 0.852 62.965 62.100 0.022 0.000 1.139 156 T CB 0.579 69.465 68.868 0.030 0.000 0.890 156 T HN 0.450 nan 8.240 nan 0.000 0.471 157 G N 0.465 109.278 108.800 0.021 0.000 2.218 157 G HA2 -0.130 3.850 3.960 0.033 0.000 0.216 157 G HA3 -0.130 3.850 3.960 0.033 0.000 0.216 157 G C -0.160 174.751 174.900 0.017 0.000 0.994 157 G CA 0.087 45.198 45.100 0.018 0.000 0.637 157 G HN 0.706 nan 8.290 nan 0.000 0.505 158 E N -0.466 119.746 120.200 0.020 0.000 2.412 158 E HA 0.439 4.809 4.350 0.033 0.000 0.279 158 E C -0.031 176.579 176.600 0.017 0.000 0.984 158 E CA -1.111 55.298 56.400 0.017 0.000 0.788 158 E CB 1.697 31.410 29.700 0.021 0.000 1.277 158 E HN 0.521 nan 8.360 nan 0.000 0.455 159 R N 0.722 121.223 120.500 0.000 0.000 2.641 159 R HA 0.342 4.702 4.340 0.033 0.000 0.269 159 R C -2.239 174.066 176.300 0.007 0.000 1.074 159 R CA -1.165 54.928 56.100 -0.011 0.000 1.133 159 R CB -0.373 29.887 30.300 -0.066 0.000 1.029 159 R HN 0.109 nan 8.270 nan 0.000 0.488 160 P HA 0.023 nan 4.420 nan 0.000 0.271 160 P C -0.205 177.135 177.300 0.067 0.000 1.216 160 P CA -0.151 63.015 63.100 0.109 0.000 0.776 160 P CB 0.787 32.622 31.700 0.225 0.000 0.881 161 L N 0.691 121.979 121.223 0.107 0.000 2.664 161 L HA 0.332 4.692 4.340 0.033 0.000 0.233 161 L C 1.278 178.146 176.870 -0.004 0.000 1.113 161 L CA 0.199 55.094 54.840 0.091 0.000 0.896 161 L CB 0.248 42.374 42.059 0.112 0.000 1.163 161 L HN 0.481 nan 8.230 nan 0.000 0.497 162 G N -1.347 107.336 108.800 -0.194 0.000 2.498 162 G HA2 0.403 4.383 3.960 0.033 0.000 0.312 162 G HA3 0.403 4.383 3.960 0.033 0.000 0.312 162 G C -2.354 172.379 174.900 -0.279 0.000 1.230 162 G CA -0.241 44.299 45.100 -0.932 0.000 0.968 162 G HN -0.037 nan 8.290 nan 0.000 0.481 163 W N 1.419 122.345 121.300 -0.623 0.000 3.129 163 W HA 0.611 5.291 4.660 0.034 0.000 0.333 163 W C -2.670 173.594 176.519 -0.426 0.000 1.141 163 W CA -1.189 55.812 57.345 -0.575 0.000 1.224 163 W CB 2.203 31.090 29.460 -0.955 0.000 1.393 163 W HN 0.467 nan 8.180 nan 0.000 0.499 164 Y N 4.406 124.103 120.300 -1.005 0.000 2.315 164 Y HA 0.254 4.823 4.550 0.032 0.000 0.324 164 Y C 0.382 175.894 175.900 -0.647 0.000 1.062 164 Y CA -0.141 57.462 58.100 -0.828 0.000 1.159 164 Y CB 1.849 39.410 38.460 -1.499 0.000 1.145 164 Y HN 0.335 nan 8.280 nan 0.000 0.442 165 T N 3.284 117.444 114.554 -0.656 0.000 2.901 165 T HA 0.293 4.663 4.350 0.033 0.000 0.252 165 T C 1.308 175.754 174.700 -0.423 0.000 1.035 165 T CA 1.489 63.387 62.100 -0.336 0.000 1.142 165 T CB -0.424 68.428 68.868 -0.026 0.000 0.869 165 T HN 1.142 nan 8.240 nan 0.000 0.442 166 G N 1.489 109.791 108.800 -0.830 0.000 4.794 166 G HA2 -0.247 3.733 3.960 0.033 0.000 0.275 166 G HA3 -0.247 3.733 3.960 0.033 0.000 0.275 166 G C 0.254 175.157 174.900 0.005 0.000 1.648 166 G CA -0.236 44.649 45.100 -0.358 0.000 1.154 166 G HN 0.452 nan 8.290 nan 0.000 0.680 167 R N 3.214 123.728 120.500 0.024 0.000 3.268 167 R HA 0.433 4.793 4.340 0.033 0.000 0.217 167 R C 0.854 177.179 176.300 0.042 0.000 1.568 167 R CA 0.581 56.683 56.100 0.003 0.000 1.322 167 R CB -0.154 30.083 30.300 -0.105 0.000 1.280 167 R HN 0.711 nan 8.270 nan 0.000 0.667 168 T N -1.949 112.622 114.554 0.028 0.000 2.813 168 T HA 0.474 4.844 4.350 0.033 0.000 0.297 168 T C 0.869 175.565 174.700 -0.007 0.000 1.036 168 T CA -0.629 61.483 62.100 0.020 0.000 1.044 168 T CB 1.800 70.666 68.868 -0.002 0.000 0.993 168 T HN 0.392 nan 8.240 nan 0.000 0.535 169 G N -0.049 108.743 108.800 -0.013 0.000 3.016 169 G HA2 0.595 4.575 3.960 0.033 0.000 0.270 169 G HA3 0.595 4.575 3.960 0.033 0.000 0.270 169 G C -1.862 172.997 174.900 -0.069 0.000 1.352 169 G CA -1.613 43.447 45.100 -0.066 0.000 1.060 169 G HN 0.530 nan 8.290 nan 0.000 0.538 170 P HA -0.044 nan 4.420 nan 0.000 0.225 170 P C 0.510 177.768 177.300 -0.071 0.000 1.148 170 P CA 0.866 63.923 63.100 -0.071 0.000 0.779 170 P CB 0.349 32.010 31.700 -0.066 0.000 0.780 171 N N -1.625 117.031 118.700 -0.073 0.000 2.197 171 N HA 0.024 4.784 4.740 0.033 0.000 0.201 171 N C 1.399 176.831 175.510 -0.130 0.000 1.148 171 N CA 0.423 53.419 53.050 -0.090 0.000 0.883 171 N CB -0.380 38.063 38.487 -0.073 0.000 1.012 171 N HN 0.040 nan 8.380 nan 0.000 0.507 172 T N 1.520 115.996 114.554 -0.130 0.000 2.622 172 T HA -0.102 4.268 4.350 0.033 0.000 0.266 172 T C 1.956 176.499 174.700 -0.262 0.000 1.047 172 T CA 1.188 63.174 62.100 -0.190 0.000 1.159 172 T CB -0.005 68.786 68.868 -0.128 0.000 0.863 172 T HN 0.253 nan 8.240 nan 0.000 0.422 173 R N 0.459 120.837 120.500 -0.202 0.000 2.115 173 R HA 0.046 4.406 4.340 0.033 0.000 0.230 173 R C 2.705 178.840 176.300 -0.276 0.000 1.111 173 R CA 0.901 56.856 56.100 -0.241 0.000 0.976 173 R CB -0.238 29.967 30.300 -0.159 0.000 0.870 173 R HN 0.309 nan 8.270 nan 0.000 0.445 174 R N 1.211 121.586 120.500 -0.208 0.000 2.081 174 R HA -0.107 4.253 4.340 0.033 0.000 0.235 174 R C 2.172 178.347 176.300 -0.208 0.000 1.131 174 R CA 1.273 57.262 56.100 -0.185 0.000 0.960 174 R CB -0.221 30.001 30.300 -0.129 0.000 0.856 174 R HN 0.177 nan 8.270 nan 0.000 0.436 175 L N 0.124 121.206 121.223 -0.234 0.000 2.083 175 L HA -0.156 4.204 4.340 0.033 0.000 0.209 175 L C 2.424 179.108 176.870 -0.311 0.000 1.083 175 L CA 0.829 55.522 54.840 -0.245 0.000 0.752 175 L CB -0.327 41.579 42.059 -0.255 0.000 0.899 175 L HN 0.084 nan 8.230 nan 0.000 0.433 176 V N -0.215 119.417 119.914 -0.469 0.000 2.295 176 V HA -0.328 3.812 4.120 0.033 0.000 0.246 176 V C 2.464 178.414 176.094 -0.240 0.000 1.049 176 V CA 2.017 63.988 62.300 -0.549 0.000 1.024 176 V CB -0.423 30.900 31.823 -0.833 0.000 0.648 176 V HN 0.409 nan 8.190 nan 0.000 0.447 177 M N -0.766 118.651 119.600 -0.304 0.000 2.175 177 M HA -0.170 4.330 4.480 0.033 0.000 0.264 177 M C 2.142 178.391 176.300 -0.085 0.000 1.063 177 M CA 1.678 56.845 55.300 -0.222 0.000 1.119 177 M CB -0.485 31.922 32.600 -0.321 0.000 1.377 177 M HN 0.361 nan 8.290 nan 0.000 0.415 178 E N 0.083 120.220 120.200 -0.105 0.000 2.204 178 E HA -0.177 4.193 4.350 0.033 0.000 0.194 178 E C 1.989 178.567 176.600 -0.037 0.000 0.989 178 E CA 0.563 56.924 56.400 -0.065 0.000 0.824 178 E CB -0.034 29.619 29.700 -0.079 0.000 0.756 178 E HN 0.371 nan 8.360 nan 0.000 0.477 179 E N 0.105 120.289 120.200 -0.027 0.000 2.110 179 E HA -0.187 4.183 4.350 0.033 0.000 0.193 179 E C 1.494 178.093 176.600 -0.001 0.000 0.988 179 E CA 1.299 57.697 56.400 -0.002 0.000 0.804 179 E CB 0.018 29.752 29.700 0.056 0.000 0.745 179 E HN 0.364 nan 8.360 nan 0.000 0.458 180 G N -0.734 108.092 108.800 0.044 0.000 2.225 180 G HA2 -0.294 3.686 3.960 0.033 0.000 0.254 180 G HA3 -0.294 3.686 3.960 0.033 0.000 0.254 180 G C 1.006 175.916 174.900 0.016 0.000 0.988 180 G CA 0.746 45.870 45.100 0.041 0.000 0.625 180 G HN 0.543 nan 8.290 nan 0.000 0.527 181 G N -0.519 108.223 108.800 -0.096 0.000 2.986 181 G HA2 0.468 4.448 3.960 0.033 0.000 0.213 181 G HA3 0.468 4.448 3.960 0.033 0.000 0.213 181 G C 0.359 175.088 174.900 -0.286 0.000 1.156 181 G CA -0.106 44.862 45.100 -0.221 0.000 0.763 181 G HN 0.361 nan 8.290 nan 0.000 0.547 182 F N 0.153 120.130 119.950 0.046 0.000 2.384 182 F HA 0.420 4.967 4.527 0.034 0.000 0.338 182 F C 1.334 177.176 175.800 0.071 0.000 1.103 182 F CA -0.697 57.325 58.000 0.037 0.000 1.157 182 F CB 1.672 40.699 39.000 0.046 0.000 1.167 182 F HN -0.197 nan 8.300 nan 0.000 0.529 183 L N 1.978 123.334 121.223 0.222 0.000 2.209 183 L HA 0.008 4.368 4.340 0.033 0.000 0.207 183 L C -0.551 176.426 176.870 0.179 0.000 1.094 183 L CA 0.428 55.418 54.840 0.251 0.000 0.790 183 L CB -0.129 42.110 42.059 0.300 0.000 0.932 183 L HN 0.715 nan 8.230 nan 0.000 0.447 184 Y N -1.769 118.528 120.300 -0.004 0.000 2.624 184 Y HA 0.532 5.102 4.550 0.033 0.000 0.334 184 Y C -1.633 174.234 175.900 -0.055 0.000 1.155 184 Y CA -1.775 56.183 58.100 -0.237 0.000 1.046 184 Y CB 0.869 39.258 38.460 -0.118 0.000 1.316 184 Y HN -0.039 nan 8.280 nan 0.000 0.457 185 D N 0.324 120.799 120.400 0.126 0.000 2.531 185 D HA 0.410 5.070 4.640 0.033 0.000 0.244 185 D C -0.891 175.526 176.300 0.194 0.000 1.090 185 D CA -0.761 53.336 54.000 0.162 0.000 0.989 185 D CB 2.083 42.988 40.800 0.175 0.000 1.433 185 D HN 0.798 nan 8.370 nan 0.000 0.492 186 C N -0.093 119.296 119.300 0.148 0.000 3.240 186 C HA 0.248 4.728 4.460 0.033 0.000 0.271 186 C C 0.226 175.310 174.990 0.156 0.000 1.534 186 C CA -0.533 58.555 59.018 0.116 0.000 1.796 186 C CB -0.824 26.952 27.740 0.061 0.000 2.892 186 C HN 0.468 nan 8.230 nan 0.000 0.566 187 D N 3.293 123.763 120.400 0.117 0.000 3.038 187 D HA 0.084 4.744 4.640 0.033 0.000 0.243 187 D C 0.707 176.926 176.300 -0.135 0.000 1.245 187 D CA 0.801 54.823 54.000 0.037 0.000 0.871 187 D CB 0.356 41.163 40.800 0.012 0.000 1.089 187 D HN 0.659 nan 8.370 nan 0.000 0.464 188 T N -2.660 111.707 114.554 -0.312 0.000 2.868 188 T HA 0.443 4.813 4.350 0.033 0.000 0.306 188 T C -0.551 173.788 174.700 -0.600 0.000 1.224 188 T CA -0.767 61.135 62.100 -0.330 0.000 1.012 188 T CB 1.237 70.092 68.868 -0.022 0.000 1.221 188 T HN -0.023 nan 8.240 nan 0.000 0.499 189 Y N 0.474 120.876 120.300 0.169 0.000 2.666 189 Y HA 0.288 4.860 4.550 0.037 0.000 0.264 189 Y C 0.568 176.530 175.900 0.102 0.000 1.054 189 Y CA -0.998 57.181 58.100 0.132 0.000 1.121 189 Y CB 0.327 38.858 38.460 0.117 0.000 1.190 189 Y HN 0.786 nan 8.280 nan 0.000 0.587 190 D N -2.336 118.173 120.400 0.180 0.000 2.433 190 D HA 0.176 4.836 4.640 0.033 0.000 0.211 190 D C 0.119 176.480 176.300 0.102 0.000 1.114 190 D CA 0.372 54.453 54.000 0.136 0.000 0.837 190 D CB 0.921 41.785 40.800 0.107 0.000 0.984 190 D HN 0.124 nan 8.370 nan 0.000 0.505 191 D N -0.801 119.676 120.400 0.127 0.000 2.692 191 D HA 0.144 4.804 4.640 0.033 0.000 0.290 191 D C -0.733 175.626 176.300 0.099 0.000 1.281 191 D CA -0.333 53.735 54.000 0.113 0.000 0.804 191 D CB 1.705 42.595 40.800 0.150 0.000 1.331 191 D HN -0.284 nan 8.370 nan 0.000 0.432 192 D N 0.198 120.653 120.400 0.091 0.000 2.395 192 D HA 0.272 4.932 4.640 0.033 0.000 0.213 192 D C 0.020 176.367 176.300 0.079 0.000 1.110 192 D CA 0.322 54.362 54.000 0.065 0.000 0.835 192 D CB 1.378 42.204 40.800 0.044 0.000 0.965 192 D HN 0.164 nan 8.370 nan 0.000 0.505 193 L N 0.254 121.530 121.223 0.088 0.000 2.465 193 L HA 0.358 4.718 4.340 0.033 0.000 0.257 193 L C -2.619 174.196 176.870 -0.091 0.000 0.988 193 L CA -2.069 52.781 54.840 0.018 0.000 0.827 193 L CB 3.018 45.097 42.059 0.033 0.000 1.397 193 L HN -0.356 nan 8.230 nan 0.000 0.410 194 P HA 0.191 nan 4.420 nan 0.000 0.270 194 P C -1.804 175.135 177.300 -0.602 0.000 1.223 194 P CA 0.146 62.790 63.100 -0.760 0.000 0.785 194 P CB 0.332 31.247 31.700 -1.307 0.000 0.923 195 Y N -2.764 117.197 120.300 -0.565 0.000 2.624 195 Y HA 0.608 5.177 4.550 0.032 0.000 0.334 195 Y C -1.701 173.987 175.900 -0.352 0.000 1.155 195 Y CA -1.662 56.240 58.100 -0.329 0.000 1.046 195 Y CB 0.389 38.699 38.460 -0.250 0.000 1.316 195 Y HN 0.284 nan 8.280 nan 0.000 0.457 196 W N 2.136 123.596 121.300 0.267 0.000 2.304 196 W HA 0.389 5.070 4.660 0.035 0.000 0.313 196 W C 0.223 176.848 176.519 0.176 0.000 1.323 196 W CA -0.013 57.418 57.345 0.143 0.000 1.223 196 W CB 0.897 30.493 29.460 0.226 0.000 1.237 196 W HN 0.607 nan 8.180 nan 0.000 0.535 197 E N 5.783 126.156 120.200 0.288 0.000 2.585 197 E HA -0.083 4.287 4.350 0.033 0.000 0.252 197 E C -1.221 175.515 176.600 0.226 0.000 0.981 197 E CA -0.698 55.849 56.400 0.246 0.000 0.943 197 E CB 0.767 30.587 29.700 0.199 0.000 0.923 197 E HN 0.123 nan 8.360 nan 0.000 0.486 198 P HA -0.058 nan 4.420 nan 0.000 0.224 198 P C -0.596 176.773 177.300 0.116 0.000 1.157 198 P CA 0.885 64.092 63.100 0.179 0.000 0.799 198 P CB 0.277 32.060 31.700 0.139 0.000 0.809 199 N N 0.336 119.083 118.700 0.078 0.000 2.908 199 N HA 0.129 4.889 4.740 0.033 0.000 0.316 199 N C -0.332 175.181 175.510 0.006 0.000 1.619 199 N CA -0.281 52.791 53.050 0.037 0.000 1.045 199 N CB -0.293 38.203 38.487 0.015 0.000 1.357 199 N HN 0.112 nan 8.380 nan 0.000 0.501 200 N N 1.787 120.494 118.700 0.012 0.000 2.406 200 N HA 0.128 4.888 4.740 0.033 0.000 0.251 200 N C -1.227 174.277 175.510 -0.010 0.000 1.069 200 N CA -1.966 51.072 53.050 -0.019 0.000 0.947 200 N CB 1.141 39.621 38.487 -0.013 0.000 1.111 200 N HN 0.130 nan 8.380 nan 0.000 0.497 201 P HA -0.156 nan 4.420 nan 0.000 0.216 201 P C 0.858 178.153 177.300 -0.008 0.000 1.153 201 P CA 1.109 64.197 63.100 -0.020 0.000 0.858 201 P CB 0.053 31.730 31.700 -0.039 0.000 0.789 202 T N -1.701 112.848 114.554 -0.010 0.000 2.900 202 T HA 0.415 4.785 4.350 0.033 0.000 0.326 202 T C 1.626 176.338 174.700 0.021 0.000 1.145 202 T CA 0.300 62.403 62.100 0.005 0.000 0.963 202 T CB 0.290 69.161 68.868 0.004 0.000 1.512 202 T HN 0.050 nan 8.240 nan 0.000 0.552 203 G N -0.218 108.601 108.800 0.032 0.000 2.709 203 G HA2 0.146 4.126 3.960 0.033 0.000 0.208 203 G HA3 0.146 4.126 3.960 0.033 0.000 0.208 203 G C 0.436 175.367 174.900 0.052 0.000 1.129 203 G CA -0.040 45.092 45.100 0.053 0.000 0.793 203 G HN 0.557 nan 8.290 nan 0.000 0.524 204 K N 1.775 122.200 120.400 0.041 0.000 2.485 204 K HA 0.227 4.567 4.320 0.033 0.000 0.277 204 K C -2.366 174.219 176.600 -0.026 0.000 0.990 204 K CA -1.431 54.883 56.287 0.044 0.000 0.994 204 K CB 0.405 32.951 32.500 0.077 0.000 0.906 204 K HN -0.009 nan 8.250 nan 0.000 0.488 205 P HA -0.027 nan 4.420 nan 0.000 0.264 205 P C -1.229 176.152 177.300 0.135 0.000 1.193 205 P CA 0.387 63.297 63.100 -0.317 0.000 0.763 205 P CB 0.412 31.832 31.700 -0.467 0.000 0.810 206 H N 3.660 122.809 119.070 0.132 0.000 2.658 206 H HA 0.378 4.953 4.556 0.033 0.000 0.337 206 H C -1.299 174.211 175.328 0.303 0.000 1.009 206 H CA -0.909 55.285 56.048 0.244 0.000 1.231 206 H CB 1.146 30.965 29.762 0.095 0.000 1.508 206 H HN 0.234 nan 8.280 nan 0.000 0.517 207 L N 5.835 126.939 121.223 -0.200 0.000 2.312 207 L HA 0.290 4.650 4.340 0.033 0.000 0.281 207 L C -0.932 175.677 176.870 -0.435 0.000 1.070 207 L CA -0.380 54.198 54.840 -0.437 0.000 0.805 207 L CB 1.163 42.902 42.059 -0.533 0.000 1.174 207 L HN 0.361 nan 8.230 nan 0.000 0.434 208 V N 6.553 126.135 119.914 -0.553 0.000 2.398 208 V HA 0.418 4.558 4.120 0.033 0.000 0.286 208 V C 0.041 175.804 176.094 -0.552 0.000 1.026 208 V CA -0.382 61.594 62.300 -0.540 0.000 0.868 208 V CB 1.338 32.567 31.823 -0.991 0.000 0.982 208 V HN 0.550 nan 8.190 nan 0.000 0.443 209 I N 6.761 127.151 120.570 -0.300 0.000 2.428 209 I HA 0.344 4.534 4.170 0.033 0.000 0.279 209 I C -2.495 173.548 176.117 -0.123 0.000 1.040 209 I CA -1.953 59.188 61.300 -0.265 0.000 1.171 209 I CB 1.767 39.585 38.000 -0.303 0.000 1.312 209 I HN 0.391 nan 8.210 nan 0.000 0.470 210 P HA -0.037 nan 4.420 nan 0.000 0.267 210 P C -0.951 176.394 177.300 0.075 0.000 1.200 210 P CA 0.392 63.488 63.100 -0.006 0.000 0.772 210 P CB 0.590 32.322 31.700 0.054 0.000 0.855 211 Y N 2.065 122.314 120.300 -0.085 0.000 2.862 211 Y HA 0.699 5.271 4.550 0.037 0.000 0.347 211 Y C 0.024 176.052 175.900 0.214 0.000 1.234 211 Y CA -0.610 57.486 58.100 -0.007 0.000 1.204 211 Y CB 1.054 39.456 38.460 -0.097 0.000 1.464 211 Y HN 0.336 nan 8.280 nan 0.000 0.710 212 T N 0.989 115.340 114.554 -0.338 0.000 2.932 212 T HA 0.410 4.780 4.350 0.033 0.000 0.318 212 T C -0.800 173.748 174.700 -0.254 0.000 1.265 212 T CA -0.584 61.421 62.100 -0.158 0.000 1.036 212 T CB 0.566 69.295 68.868 -0.232 0.000 1.209 212 T HN 0.573 nan 8.240 nan 0.000 0.484 213 L N 3.056 124.191 121.223 -0.146 0.000 2.858 213 L HA 0.339 4.699 4.340 0.033 0.000 0.251 213 L C 1.597 178.406 176.870 -0.101 0.000 1.149 213 L CA -0.076 54.672 54.840 -0.153 0.000 0.955 213 L CB 0.320 42.222 42.059 -0.261 0.000 1.289 213 L HN 0.757 nan 8.230 nan 0.000 0.542 214 D N -1.022 119.352 120.400 -0.043 0.000 2.615 214 D HA -0.070 4.590 4.640 0.033 0.000 0.259 214 D C 1.033 177.414 176.300 0.136 0.000 0.999 214 D CA 0.769 54.775 54.000 0.010 0.000 0.938 214 D CB -0.157 40.719 40.800 0.127 0.000 1.121 214 D HN 0.108 nan 8.370 nan 0.000 0.487 215 T N -0.500 114.175 114.554 0.202 0.000 4.098 215 T HA 0.362 4.732 4.350 0.033 0.000 0.291 215 T C -0.292 174.546 174.700 0.230 0.000 1.440 215 T CA -0.677 61.576 62.100 0.255 0.000 1.164 215 T CB -1.303 67.609 68.868 0.074 0.000 1.313 215 T HN 0.210 nan 8.240 nan 0.000 0.951 216 N N 1.337 120.224 118.700 0.312 0.000 2.455 216 N HA 0.187 4.947 4.740 0.033 0.000 0.285 216 N C 0.279 175.849 175.510 0.101 0.000 1.080 216 N CA -0.647 52.515 53.050 0.187 0.000 0.932 216 N CB 1.519 40.031 38.487 0.042 0.000 1.610 216 N HN 0.278 nan 8.380 nan 0.000 0.493 217 D N 4.310 124.734 120.400 0.039 0.000 2.378 217 D HA -0.205 4.455 4.640 0.033 0.000 0.222 217 D C 1.745 178.053 176.300 0.013 0.000 0.980 217 D CA 0.739 54.657 54.000 -0.138 0.000 0.907 217 D CB -0.146 40.635 40.800 -0.033 0.000 0.899 217 D HN 0.780 nan 8.370 nan 0.000 0.527 218 M N -0.752 118.828 119.600 -0.034 0.000 2.202 218 M HA -0.065 4.435 4.480 0.033 0.000 0.262 218 M C 1.483 177.658 176.300 -0.209 0.000 1.063 218 M CA 1.134 56.308 55.300 -0.210 0.000 1.097 218 M CB -0.388 32.097 32.600 -0.191 0.000 1.382 218 M HN -0.193 nan 8.290 nan 0.000 0.413 219 R N 0.214 120.544 120.500 -0.283 0.000 2.328 219 R HA 0.020 4.380 4.340 0.033 0.000 0.207 219 R C 1.497 177.514 176.300 -0.472 0.000 1.056 219 R CA 0.850 56.647 56.100 -0.505 0.000 1.016 219 R CB -0.926 28.811 30.300 -0.939 0.000 0.872 219 R HN 0.481 nan 8.270 nan 0.000 0.471 220 F N 0.557 120.379 119.950 -0.214 0.000 2.451 220 F HA -0.103 4.446 4.527 0.036 0.000 0.299 220 F C 1.995 177.709 175.800 -0.143 0.000 1.101 220 F CA 1.475 59.402 58.000 -0.121 0.000 1.436 220 F CB 0.015 38.951 39.000 -0.107 0.000 1.074 220 F HN 0.028 nan 8.300 nan 0.000 0.553 221 T N -3.768 110.776 114.554 -0.017 0.000 3.145 221 T HA 0.264 4.634 4.350 0.033 0.000 0.281 221 T C 0.333 174.986 174.700 -0.077 0.000 1.003 221 T CA -0.369 61.700 62.100 -0.052 0.000 0.901 221 T CB -0.075 68.739 68.868 -0.089 0.000 1.112 221 T HN 0.051 nan 8.240 nan 0.000 0.535 222 Q N 0.709 120.440 119.800 -0.114 0.000 2.195 222 Q HA 0.497 4.857 4.340 0.033 0.000 0.250 222 Q C 1.676 177.622 176.000 -0.090 0.000 0.988 222 Q CA -0.475 55.274 55.803 -0.090 0.000 0.911 222 Q CB 2.340 31.010 28.738 -0.113 0.000 1.258 222 Q HN 0.126 nan 8.270 nan 0.000 0.475 223 V N -1.051 118.828 119.914 -0.058 0.000 2.287 223 V HA -0.245 3.895 4.120 0.033 0.000 0.248 223 V C 0.652 176.694 176.094 -0.087 0.000 1.053 223 V CA 1.720 63.988 62.300 -0.054 0.000 1.027 223 V CB -0.745 31.059 31.823 -0.032 0.000 0.646 223 V HN 0.832 nan 8.190 nan 0.000 0.447 224 Q N 1.737 121.465 119.800 -0.121 0.000 2.340 224 Q HA 0.662 5.022 4.340 0.033 0.000 0.259 224 Q C -0.411 175.415 176.000 -0.290 0.000 0.964 224 Q CA 0.259 55.963 55.803 -0.166 0.000 0.900 224 Q CB 0.900 29.553 28.738 -0.142 0.000 1.228 224 Q HN 0.770 nan 8.270 nan 0.000 0.449 225 G N 2.973 111.574 108.800 -0.331 0.000 2.657 225 G HA2 0.393 4.373 3.960 0.033 0.000 0.303 225 G HA3 0.393 4.373 3.960 0.033 0.000 0.303 225 G C -1.345 173.342 174.900 -0.355 0.000 1.457 225 G CA -0.985 43.822 45.100 -0.488 0.000 0.982 225 G HN 0.396 nan 8.290 nan 0.000 0.583 226 F N 0.993 120.744 119.950 -0.332 0.000 2.604 226 F HA -0.002 4.523 4.527 -0.003 0.000 0.390 226 F C 1.531 177.285 175.800 -0.076 0.000 1.053 226 F CA 0.426 58.246 58.000 -0.301 0.000 1.256 226 F CB 0.275 38.838 39.000 -0.729 0.000 0.996 226 F HN 0.565 nan 8.300 nan 0.000 0.564 227 N N 1.450 120.265 118.700 0.192 0.000 2.290 227 N HA -0.003 4.757 4.740 0.033 0.000 0.179 227 N C -0.318 175.326 175.510 0.223 0.000 1.016 227 N CA 0.659 53.809 53.050 0.166 0.000 0.871 227 N CB 0.082 38.631 38.487 0.103 0.000 0.987 227 N HN 0.612 nan 8.380 nan 0.000 0.431 228 K N -1.563 118.994 120.400 0.263 0.000 2.480 228 K HA 0.545 4.885 4.320 0.033 0.000 0.258 228 K C 0.679 177.496 176.600 0.362 0.000 0.990 228 K CA -0.875 55.560 56.287 0.247 0.000 0.857 228 K CB 1.382 33.967 32.500 0.141 0.000 1.384 228 K HN -0.133 nan 8.250 nan 0.000 0.446 229 G N 0.924 109.905 108.800 0.301 0.000 2.505 229 G HA2 -0.381 3.599 3.960 0.033 0.000 0.220 229 G HA3 -0.381 3.599 3.960 0.033 0.000 0.220 229 G C 0.998 176.067 174.900 0.282 0.000 1.145 229 G CA 1.764 47.076 45.100 0.352 0.000 0.761 229 G HN 0.966 nan 8.290 nan 0.000 0.571 230 D N 0.405 120.912 120.400 0.177 0.000 2.190 230 D HA -0.119 4.541 4.640 0.033 0.000 0.200 230 D C 1.773 178.161 176.300 0.146 0.000 0.992 230 D CA 1.415 55.511 54.000 0.160 0.000 0.854 230 D CB -0.101 40.761 40.800 0.104 0.000 0.936 230 D HN 0.244 nan 8.370 nan 0.000 0.462 231 D N -0.543 119.914 120.400 0.095 0.000 2.117 231 D HA -0.161 4.499 4.640 0.033 0.000 0.197 231 D C 1.666 177.787 176.300 -0.299 0.000 0.987 231 D CA 0.568 54.576 54.000 0.013 0.000 0.829 231 D CB -0.527 40.352 40.800 0.133 0.000 0.961 231 D HN 0.290 nan 8.370 nan 0.000 0.460 232 F N 0.909 120.397 119.950 -0.770 0.000 2.113 232 F HA -0.122 4.419 4.527 0.023 0.000 0.297 232 F C 2.076 177.620 175.800 -0.425 0.000 1.103 232 F CA 0.621 57.954 58.000 -1.112 0.000 1.248 232 F CB -0.724 37.827 39.000 -0.749 0.000 0.999 232 F HN -0.104 nan 8.300 nan 0.000 0.475 233 F N 1.450 121.223 119.950 -0.295 0.000 2.095 233 F HA -0.202 4.339 4.527 0.024 0.000 0.298 233 F C 2.325 177.959 175.800 -0.277 0.000 1.104 233 F CA 2.114 59.941 58.000 -0.290 0.000 1.232 233 F CB -0.591 38.343 39.000 -0.111 0.000 0.987 233 F HN -0.076 nan 8.300 nan 0.000 0.475 234 E N -0.588 119.450 120.200 -0.271 0.000 2.110 234 E HA -0.248 4.122 4.350 0.033 0.000 0.193 234 E C 2.073 178.476 176.600 -0.328 0.000 0.988 234 E CA 1.339 57.547 56.400 -0.320 0.000 0.804 234 E CB -0.907 28.767 29.700 -0.043 0.000 0.745 234 E HN 0.624 nan 8.360 nan 0.000 0.458 235 Y N 1.155 121.224 120.300 -0.385 0.000 2.163 235 Y HA -0.157 4.415 4.550 0.036 0.000 0.288 235 Y C 2.290 177.943 175.900 -0.411 0.000 1.136 235 Y CA 1.393 59.316 58.100 -0.294 0.000 1.147 235 Y CB -0.240 38.109 38.460 -0.185 0.000 0.987 235 Y HN -0.060 nan 8.280 nan 0.000 0.509 236 L N 0.244 121.125 121.223 -0.569 0.000 2.046 236 L HA -0.247 4.113 4.340 0.033 0.000 0.208 236 L C 2.563 179.074 176.870 -0.599 0.000 1.077 236 L CA 1.889 56.210 54.840 -0.864 0.000 0.747 236 L CB -0.634 40.403 42.059 -1.703 0.000 0.896 236 L HN 0.164 nan 8.230 nan 0.000 0.432 237 K N 0.200 120.224 120.400 -0.627 0.000 2.063 237 K HA -0.231 4.109 4.320 0.033 0.000 0.208 237 K C 1.671 178.148 176.600 -0.205 0.000 1.048 237 K CA 1.951 57.959 56.287 -0.465 0.000 0.928 237 K CB -0.037 31.830 32.500 -1.056 0.000 0.713 237 K HN 0.225 nan 8.250 nan 0.000 0.442 238 D N 0.391 120.618 120.400 -0.287 0.000 2.097 238 D HA -0.127 4.533 4.640 0.033 0.000 0.195 238 D C 1.855 178.064 176.300 -0.152 0.000 0.989 238 D CA 1.421 55.303 54.000 -0.197 0.000 0.827 238 D CB -0.321 40.324 40.800 -0.259 0.000 0.966 238 D HN 0.381 nan 8.370 nan 0.000 0.456 239 A N 0.547 123.226 122.820 -0.235 0.000 1.883 239 A HA -0.216 4.124 4.320 0.033 0.000 0.217 239 A C 2.179 179.744 177.584 -0.031 0.000 1.186 239 A CA 1.330 53.264 52.037 -0.171 0.000 0.624 239 A CB -1.138 17.727 19.000 -0.227 0.000 0.822 239 A HN 0.264 nan 8.150 nan 0.000 0.444 240 F N 1.245 121.155 119.950 -0.067 0.000 2.069 240 F HA -0.222 4.324 4.527 0.032 0.000 0.298 240 F C 1.899 177.711 175.800 0.020 0.000 1.113 240 F CA 2.291 60.307 58.000 0.026 0.000 1.214 240 F CB -0.292 38.811 39.000 0.171 0.000 0.978 240 F HN 0.253 nan 8.300 nan 0.000 0.474 241 D N -0.020 120.552 120.400 0.287 0.000 2.123 241 D HA -0.178 4.482 4.640 0.033 0.000 0.196 241 D C 2.531 178.876 176.300 0.076 0.000 0.992 241 D CA 1.725 55.848 54.000 0.206 0.000 0.833 241 D CB -0.682 40.227 40.800 0.182 0.000 0.954 241 D HN 0.252 nan 8.370 nan 0.000 0.455 242 V N 0.793 120.715 119.914 0.012 0.000 2.307 242 V HA -0.178 3.962 4.120 0.033 0.000 0.245 242 V C 2.632 178.700 176.094 -0.043 0.000 1.045 242 V CA 1.062 63.352 62.300 -0.017 0.000 1.024 242 V CB -0.407 31.390 31.823 -0.044 0.000 0.651 242 V HN 0.180 nan 8.190 nan 0.000 0.449 243 L N -1.421 119.753 121.223 -0.081 0.000 2.046 243 L HA -0.212 4.148 4.340 0.033 0.000 0.208 243 L C 2.483 179.271 176.870 -0.138 0.000 1.077 243 L CA 1.929 56.703 54.840 -0.110 0.000 0.747 243 L CB -0.704 41.277 42.059 -0.130 0.000 0.896 243 L HN 0.370 nan 8.230 nan 0.000 0.432 244 Y N 0.729 120.809 120.300 -0.366 0.000 2.181 244 Y HA -0.290 4.280 4.550 0.034 0.000 0.288 244 Y C 2.520 178.322 175.900 -0.164 0.000 1.146 244 Y CA 1.296 59.170 58.100 -0.376 0.000 1.164 244 Y CB -0.238 37.874 38.460 -0.581 0.000 0.982 244 Y HN 0.118 nan 8.280 nan 0.000 0.515 245 A N 0.233 123.066 122.820 0.022 0.000 1.883 245 A HA -0.236 4.104 4.320 0.033 0.000 0.217 245 A C 2.068 179.606 177.584 -0.076 0.000 1.186 245 A CA 2.027 54.061 52.037 -0.004 0.000 0.624 245 A CB -0.756 18.267 19.000 0.038 0.000 0.822 245 A HN 0.623 nan 8.150 nan 0.000 0.444 246 E N -0.763 119.389 120.200 -0.081 0.000 2.204 246 E HA -0.108 4.262 4.350 0.033 0.000 0.195 246 E C 1.934 178.453 176.600 -0.134 0.000 0.990 246 E CA 0.567 56.912 56.400 -0.091 0.000 0.821 246 E CB -0.361 29.290 29.700 -0.080 0.000 0.750 246 E HN 0.636 nan 8.360 nan 0.000 0.477 247 G N 1.142 109.831 108.800 -0.184 0.000 2.535 247 G HA2 -0.194 3.786 3.960 0.033 0.000 0.218 247 G HA3 -0.194 3.786 3.960 0.033 0.000 0.218 247 G C 1.571 176.345 174.900 -0.211 0.000 1.122 247 G CA 0.619 45.581 45.100 -0.230 0.000 0.769 247 G HN 0.309 nan 8.290 nan 0.000 0.549 248 A N 1.039 123.755 122.820 -0.174 0.000 2.024 248 A HA 0.021 4.361 4.320 0.033 0.000 0.220 248 A C 2.079 179.621 177.584 -0.069 0.000 1.164 248 A CA 2.145 54.116 52.037 -0.111 0.000 0.643 248 A CB -0.160 18.795 19.000 -0.075 0.000 0.806 248 A HN 0.608 nan 8.150 nan 0.000 0.451 249 E N -2.892 117.258 120.200 -0.083 0.000 2.505 249 E HA 0.524 4.894 4.350 0.033 0.000 0.212 249 E C 0.360 176.891 176.600 -0.115 0.000 0.825 249 E CA 0.474 56.841 56.400 -0.054 0.000 1.333 249 E CB 0.297 29.974 29.700 -0.040 0.000 1.319 249 E HN 0.428 nan 8.360 nan 0.000 0.658 250 A N 1.636 124.338 122.820 -0.195 0.000 3.007 250 A HA 0.500 4.840 4.320 0.033 0.000 0.314 250 A C -2.861 174.536 177.584 -0.312 0.000 1.153 250 A CA -1.431 50.433 52.037 -0.289 0.000 0.780 250 A CB 0.454 19.346 19.000 -0.179 0.000 1.258 250 A HN -0.001 nan 8.150 nan 0.000 0.460 251 P HA 0.259 nan 4.420 nan 0.000 0.269 251 P C -0.183 177.049 177.300 -0.114 0.000 1.209 251 P CA 0.307 63.263 63.100 -0.241 0.000 0.776 251 P CB 0.852 32.400 31.700 -0.253 0.000 0.876 252 K N 1.508 121.988 120.400 0.133 0.000 2.213 252 K HA 0.682 5.022 4.320 0.033 0.000 0.254 252 K C -0.179 176.655 176.600 0.391 0.000 1.062 252 K CA -0.836 55.574 56.287 0.205 0.000 0.884 252 K CB 1.409 33.941 32.500 0.052 0.000 1.437 252 K HN 0.514 nan 8.250 nan 0.000 0.464 253 M N -0.098 119.643 119.600 0.235 0.000 2.690 253 M HA 0.663 5.163 4.480 0.033 0.000 0.302 253 M C -1.501 174.779 176.300 -0.035 0.000 1.234 253 M CA -1.112 54.225 55.300 0.061 0.000 0.853 253 M CB 1.963 34.577 32.600 0.024 0.000 1.748 253 M HN 0.381 nan 8.290 nan 0.000 0.469 254 L N 1.127 122.281 121.223 -0.115 0.000 2.436 254 L HA 0.672 5.032 4.340 0.033 0.000 0.268 254 L C -1.316 175.447 176.870 -0.178 0.000 0.974 254 L CA 0.130 54.898 54.840 -0.120 0.000 0.826 254 L CB 2.621 44.617 42.059 -0.106 0.000 1.291 254 L HN 0.908 nan 8.230 nan 0.000 0.406 255 S N 4.944 120.554 115.700 -0.150 0.000 2.525 255 S HA 0.756 5.246 4.470 0.033 0.000 0.290 255 S C -0.581 173.899 174.600 -0.199 0.000 1.152 255 S CA -0.264 57.838 58.200 -0.164 0.000 1.072 255 S CB 1.095 64.261 63.200 -0.057 0.000 1.027 255 S HN 0.430 nan 8.310 nan 0.000 0.500 256 I N 2.228 122.658 120.570 -0.234 0.000 2.411 256 I HA 0.426 4.616 4.170 0.033 0.000 0.284 256 I C 0.573 176.699 176.117 0.014 0.000 1.012 256 I CA -0.104 61.108 61.300 -0.146 0.000 1.119 256 I CB 1.493 39.319 38.000 -0.290 0.000 1.261 256 I HN 0.685 nan 8.210 nan 0.000 0.448 257 G N 6.950 115.787 108.800 0.060 0.000 2.332 257 G HA2 0.773 4.753 3.960 0.033 0.000 0.310 257 G HA3 0.773 4.753 3.960 0.033 0.000 0.310 257 G C -0.809 174.189 174.900 0.164 0.000 1.123 257 G CA -0.369 44.795 45.100 0.106 0.000 0.873 257 G HN 0.439 nan 8.290 nan 0.000 0.460 258 L N 1.400 122.645 121.223 0.036 0.000 2.409 258 L HA 0.529 4.889 4.340 0.033 0.000 0.262 258 L C -0.976 175.793 176.870 -0.168 0.000 0.992 258 L CA -1.126 53.769 54.840 0.091 0.000 0.817 258 L CB 2.754 44.918 42.059 0.176 0.000 1.350 258 L HN 0.547 nan 8.230 nan 0.000 0.411 259 H N -0.857 118.231 119.070 0.029 0.000 2.637 259 H HA 0.294 4.871 4.556 0.034 0.000 0.363 259 H C 0.051 175.347 175.328 -0.052 0.000 1.131 259 H CA -0.693 55.331 56.048 -0.040 0.000 1.183 259 H CB 1.914 31.611 29.762 -0.108 0.000 1.637 259 H HN 0.585 nan 8.280 nan 0.000 0.531 260 C N 1.115 120.428 119.300 0.022 0.000 2.429 260 C HA -0.124 4.356 4.460 0.033 0.000 0.277 260 C C 2.506 177.508 174.990 0.021 0.000 1.262 260 C CA 1.350 60.374 59.018 0.010 0.000 1.733 260 C CB -0.615 27.118 27.740 -0.012 0.000 2.010 260 C HN 0.858 nan 8.230 nan 0.000 0.483 261 R N 0.769 121.242 120.500 -0.046 0.000 2.280 261 R HA 0.052 4.412 4.340 0.033 0.000 0.207 261 R C 1.455 177.714 176.300 -0.069 0.000 1.043 261 R CA 1.171 57.247 56.100 -0.040 0.000 1.006 261 R CB -0.305 29.831 30.300 -0.274 0.000 0.885 261 R HN 0.448 nan 8.270 nan 0.000 0.467 262 L N -0.278 120.902 121.223 -0.071 0.000 2.471 262 L HA 0.153 4.513 4.340 0.033 0.000 0.186 262 L C 2.126 178.916 176.870 -0.134 0.000 1.191 262 L CA -0.068 54.696 54.840 -0.125 0.000 0.835 262 L CB -0.374 41.622 42.059 -0.104 0.000 1.092 262 L HN -0.006 nan 8.230 nan 0.000 0.495 263 I N 0.971 121.512 120.570 -0.047 0.000 2.756 263 I HA -0.087 4.103 4.170 0.033 0.000 0.262 263 I C 2.121 178.247 176.117 0.015 0.000 1.225 263 I CA 0.888 62.166 61.300 -0.036 0.000 1.472 263 I CB -0.254 37.811 38.000 0.107 0.000 1.094 263 I HN 0.221 nan 8.210 nan 0.000 0.454 264 G N 0.507 109.343 108.800 0.060 0.000 2.509 264 G HA2 -0.128 3.852 3.960 0.033 0.000 0.218 264 G HA3 -0.128 3.852 3.960 0.033 0.000 0.218 264 G C 1.010 176.033 174.900 0.205 0.000 1.124 264 G CA -0.139 45.035 45.100 0.123 0.000 0.776 264 G HN 0.118 nan 8.290 nan 0.000 0.547 265 R N 0.622 121.188 120.500 0.110 0.000 2.489 265 R HA 0.092 4.452 4.340 0.033 0.000 0.287 265 R C -1.220 175.080 176.300 -0.000 0.000 1.053 265 R CA -1.723 54.390 56.100 0.022 0.000 1.036 265 R CB 0.943 31.125 30.300 -0.197 0.000 0.966 265 R HN 0.121 nan 8.270 nan 0.000 0.432 266 P HA -0.184 nan 4.420 nan 0.000 0.217 266 P C 0.838 178.119 177.300 -0.031 0.000 1.148 266 P CA 1.403 64.512 63.100 0.015 0.000 0.828 266 P CB 0.129 31.849 31.700 0.033 0.000 0.783 267 A N 0.155 122.934 122.820 -0.069 0.000 2.019 267 A HA -0.163 4.176 4.320 0.033 0.000 0.219 267 A C 2.288 179.803 177.584 -0.114 0.000 1.164 267 A CA 1.321 53.308 52.037 -0.084 0.000 0.644 267 A CB -0.817 18.121 19.000 -0.103 0.000 0.805 267 A HN 0.183 nan 8.150 nan 0.000 0.449 268 R N -1.871 118.521 120.500 -0.178 0.000 2.225 268 R HA 0.240 4.600 4.340 0.033 0.000 0.194 268 R C 1.923 178.188 176.300 -0.060 0.000 0.957 268 R CA 0.465 56.411 56.100 -0.256 0.000 1.042 268 R CB -0.358 29.576 30.300 -0.610 0.000 1.004 268 R HN 0.425 nan 8.270 nan 0.000 0.509 269 L N 1.463 122.669 121.223 -0.028 0.000 2.083 269 L HA -0.101 4.259 4.340 0.033 0.000 0.209 269 L C 2.352 179.241 176.870 0.032 0.000 1.083 269 L CA 1.701 56.556 54.840 0.026 0.000 0.752 269 L CB -0.384 41.690 42.059 0.025 0.000 0.899 269 L HN 0.150 nan 8.230 nan 0.000 0.433 270 A N -0.334 122.494 122.820 0.013 0.000 1.927 270 A HA -0.297 4.043 4.320 0.033 0.000 0.220 270 A C 2.446 180.037 177.584 0.012 0.000 1.185 270 A CA 2.256 54.294 52.037 0.001 0.000 0.639 270 A CB -1.240 17.753 19.000 -0.012 0.000 0.820 270 A HN 0.594 nan 8.150 nan 0.000 0.451 271 A N -0.960 121.907 122.820 0.077 0.000 1.930 271 A HA 0.050 4.390 4.320 0.033 0.000 0.217 271 A C 2.114 179.819 177.584 0.202 0.000 1.175 271 A CA 1.622 53.743 52.037 0.141 0.000 0.627 271 A CB -0.553 18.619 19.000 0.286 0.000 0.815 271 A HN 0.744 nan 8.150 nan 0.000 0.443 272 L N -0.016 121.338 121.223 0.218 0.000 2.046 272 L HA -0.207 4.153 4.340 0.033 0.000 0.208 272 L C 2.497 179.392 176.870 0.041 0.000 1.077 272 L CA 2.703 57.666 54.840 0.204 0.000 0.747 272 L CB -0.770 41.412 42.059 0.205 0.000 0.896 272 L HN 0.611 nan 8.230 nan 0.000 0.432 273 Q N -0.694 119.075 119.800 -0.053 0.000 2.084 273 Q HA -0.245 4.115 4.340 0.033 0.000 0.202 273 Q C 2.351 178.259 176.000 -0.154 0.000 0.978 273 Q CA 1.873 57.573 55.803 -0.171 0.000 0.844 273 Q CB -0.102 28.592 28.738 -0.072 0.000 0.898 273 Q HN 0.486 nan 8.270 nan 0.000 0.426 274 R N -0.649 119.808 120.500 -0.071 0.000 2.096 274 R HA -0.152 4.208 4.340 0.033 0.000 0.235 274 R C 2.147 178.546 176.300 0.165 0.000 1.127 274 R CA 1.517 57.547 56.100 -0.116 0.000 0.968 274 R CB -0.396 29.614 30.300 -0.484 0.000 0.861 274 R HN 0.310 nan 8.270 nan 0.000 0.440 275 F N 1.227 121.303 119.950 0.211 0.000 2.146 275 F HA -0.072 4.478 4.527 0.038 0.000 0.298 275 F C 1.894 177.743 175.800 0.083 0.000 1.096 275 F CA 1.099 59.243 58.000 0.239 0.000 1.275 275 F CB -0.150 38.894 39.000 0.073 0.000 1.008 275 F HN -0.133 nan 8.300 nan 0.000 0.480 276 I N 0.477 120.936 120.570 -0.185 0.000 2.163 276 I HA -0.317 3.873 4.170 0.033 0.000 0.243 276 I C 2.273 178.082 176.117 -0.513 0.000 1.085 276 I CA 1.844 62.856 61.300 -0.480 0.000 1.347 276 I CB -0.558 36.911 38.000 -0.885 0.000 1.044 276 I HN 0.174 nan 8.210 nan 0.000 0.408 277 E N -0.221 119.708 120.200 -0.450 0.000 2.085 277 E HA -0.300 4.070 4.350 0.033 0.000 0.194 277 E C 2.063 178.596 176.600 -0.111 0.000 0.994 277 E CA 1.710 57.977 56.400 -0.221 0.000 0.801 277 E CB -0.283 29.363 29.700 -0.090 0.000 0.743 277 E HN 0.502 nan 8.360 nan 0.000 0.453 278 Y N 1.050 121.218 120.300 -0.220 0.000 2.145 278 Y HA -0.213 4.361 4.550 0.040 0.000 0.286 278 Y C 2.276 177.962 175.900 -0.356 0.000 1.145 278 Y CA 1.480 59.453 58.100 -0.213 0.000 1.148 278 Y CB -0.464 37.914 38.460 -0.137 0.000 0.981 278 Y HN -0.000 nan 8.280 nan 0.000 0.507 279 A N 0.498 122.950 122.820 -0.613 0.000 1.908 279 A HA -0.186 4.154 4.320 0.033 0.000 0.218 279 A C 2.180 179.733 177.584 -0.052 0.000 1.181 279 A CA 1.835 53.476 52.037 -0.661 0.000 0.627 279 A CB -0.532 18.158 19.000 -0.517 0.000 0.818 279 A HN 0.353 nan 8.150 nan 0.000 0.445 280 K N 0.619 121.026 120.400 0.013 0.000 2.362 280 K HA -0.079 4.261 4.320 0.033 0.000 0.200 280 K C 2.080 178.695 176.600 0.026 0.000 1.046 280 K CA 1.325 57.665 56.287 0.089 0.000 0.952 280 K CB -0.370 32.113 32.500 -0.029 0.000 0.753 280 K HN 0.689 nan 8.250 nan 0.000 0.466 281 S N -0.080 115.561 115.700 -0.099 0.000 2.562 281 S HA -0.024 4.466 4.470 0.033 0.000 0.221 281 S C 0.618 175.037 174.600 -0.301 0.000 0.975 281 S CA -0.152 57.929 58.200 -0.199 0.000 0.918 281 S CB -0.275 62.742 63.200 -0.304 0.000 0.772 281 S HN 0.211 nan 8.310 nan 0.000 0.531 282 H N 1.594 120.552 119.070 -0.187 0.000 2.463 282 H HA 0.406 4.982 4.556 0.033 0.000 0.332 282 H C -0.139 175.237 175.328 0.080 0.000 1.127 282 H CA -0.583 55.400 56.048 -0.108 0.000 1.238 282 H CB 0.942 30.556 29.762 -0.246 0.000 1.478 282 H HN 0.430 nan 8.280 nan 0.000 0.499 283 E N 1.201 121.546 120.200 0.242 0.000 2.392 283 E HA 0.004 4.374 4.350 0.033 0.000 0.256 283 E C -0.031 176.777 176.600 0.347 0.000 1.145 283 E CA -0.389 56.161 56.400 0.251 0.000 0.929 283 E CB 0.608 30.420 29.700 0.185 0.000 0.998 283 E HN 0.516 nan 8.360 nan 0.000 0.442 284 Q N -1.357 118.597 119.800 0.257 0.000 2.463 284 Q HA -0.175 4.185 4.340 0.033 0.000 0.299 284 Q C -1.267 174.888 176.000 0.258 0.000 1.353 284 Q CA -0.027 55.910 55.803 0.224 0.000 0.828 284 Q CB -1.634 27.198 28.738 0.157 0.000 1.157 284 Q HN 0.163 nan 8.270 nan 0.000 0.436 285 V N 0.452 120.509 119.914 0.237 0.000 2.448 285 V HA 0.422 4.562 4.120 0.033 0.000 0.295 285 V C -0.272 175.864 176.094 0.069 0.000 1.025 285 V CA -0.683 61.668 62.300 0.086 0.000 0.859 285 V CB 1.278 33.073 31.823 -0.048 0.000 0.988 285 V HN 0.398 nan 8.190 nan 0.000 0.431 286 W N 6.677 127.831 121.300 -0.243 0.000 2.311 286 W HA 0.592 5.273 4.660 0.034 0.000 0.317 286 W C -0.913 175.443 176.519 -0.271 0.000 1.065 286 W CA -2.015 55.211 57.345 -0.198 0.000 1.364 286 W CB 0.606 29.893 29.460 -0.288 0.000 1.233 286 W HN 0.421 nan 8.180 nan 0.000 0.409 287 F N 5.419 125.386 119.950 0.029 0.000 2.413 287 F HA 0.371 4.917 4.527 0.032 0.000 0.359 287 F C 0.967 176.555 175.800 -0.353 0.000 1.122 287 F CA 0.057 58.012 58.000 -0.076 0.000 1.160 287 F CB 0.961 40.020 39.000 0.097 0.000 1.146 287 F HN 0.096 nan 8.300 nan 0.000 0.514 288 T N 3.285 117.574 114.554 -0.442 0.000 2.812 288 T HA 0.607 4.977 4.350 0.033 0.000 0.294 288 T C -0.427 174.032 174.700 -0.402 0.000 1.159 288 T CA -0.822 60.860 62.100 -0.697 0.000 1.008 288 T CB 1.192 68.962 68.868 -1.830 0.000 1.289 288 T HN 0.547 nan 8.240 nan 0.000 0.514 289 R N 0.664 120.969 120.500 -0.326 0.000 2.674 289 R HA 0.530 4.890 4.340 0.033 0.000 0.266 289 R C 1.424 177.580 176.300 -0.242 0.000 1.016 289 R CA -0.853 55.129 56.100 -0.197 0.000 1.062 289 R CB 0.912 31.173 30.300 -0.065 0.000 1.142 289 R HN 0.568 nan 8.270 nan 0.000 0.517 290 R N 0.269 120.654 120.500 -0.191 0.000 2.115 290 R HA -0.100 4.260 4.340 0.033 0.000 0.230 290 R C 2.024 178.104 176.300 -0.366 0.000 1.111 290 R CA 0.927 56.836 56.100 -0.318 0.000 0.976 290 R CB -0.238 29.880 30.300 -0.303 0.000 0.870 290 R HN 0.353 nan 8.270 nan 0.000 0.445 291 V N 1.780 121.658 119.914 -0.060 0.000 2.515 291 V HA -0.204 3.936 4.120 0.033 0.000 0.250 291 V C 1.143 177.298 176.094 0.102 0.000 1.058 291 V CA 1.940 64.309 62.300 0.114 0.000 1.064 291 V CB -0.197 31.782 31.823 0.260 0.000 0.675 291 V HN 0.261 nan 8.190 nan 0.000 0.461 292 D N 0.152 120.591 120.400 0.066 0.000 2.117 292 D HA -0.128 4.532 4.640 0.033 0.000 0.198 292 D C 2.049 178.535 176.300 0.308 0.000 0.982 292 D CA 1.809 55.918 54.000 0.181 0.000 0.828 292 D CB -0.182 40.693 40.800 0.124 0.000 0.967 292 D HN 0.498 nan 8.370 nan 0.000 0.464 293 I N 1.486 122.116 120.570 0.101 0.000 2.208 293 I HA -0.264 3.926 4.170 0.033 0.000 0.245 293 I C 2.563 178.900 176.117 0.366 0.000 1.097 293 I CA 1.058 62.521 61.300 0.272 0.000 1.363 293 I CB -0.238 37.744 38.000 -0.030 0.000 1.051 293 I HN -0.081 nan 8.210 nan 0.000 0.413 294 A N 0.904 123.809 122.820 0.141 0.000 1.877 294 A HA -0.203 4.137 4.320 0.033 0.000 0.216 294 A C 2.425 180.311 177.584 0.504 0.000 1.186 294 A CA 1.538 53.720 52.037 0.241 0.000 0.620 294 A CB -0.558 18.539 19.000 0.160 0.000 0.822 294 A HN 0.315 nan 8.150 nan 0.000 0.443 295 R N -1.826 118.907 120.500 0.389 0.000 2.075 295 R HA -0.140 4.220 4.340 0.033 0.000 0.232 295 R C 2.251 178.823 176.300 0.452 0.000 1.126 295 R CA 1.552 57.868 56.100 0.361 0.000 0.963 295 R CB -0.558 29.896 30.300 0.258 0.000 0.858 295 R HN 0.812 nan 8.270 nan 0.000 0.435 296 H N -0.186 119.146 119.070 0.435 0.000 2.387 296 H HA -0.189 4.387 4.556 0.034 0.000 0.299 296 H C 1.792 177.388 175.328 0.447 0.000 1.099 296 H CA 1.827 58.135 56.048 0.434 0.000 1.315 296 H CB -0.132 29.974 29.762 0.572 0.000 1.380 296 H HN 0.299 nan 8.280 nan 0.000 0.513 297 W N 0.784 122.289 121.300 0.341 0.000 2.381 297 W HA -0.171 4.510 4.660 0.035 0.000 0.301 297 W C 1.901 178.610 176.519 0.316 0.000 1.205 297 W CA 1.569 59.061 57.345 0.245 0.000 1.285 297 W CB -0.364 29.154 29.460 0.097 0.000 1.133 297 W HN 0.448 nan 8.180 nan 0.000 0.521 298 H N -0.358 119.013 119.070 0.501 0.000 2.387 298 H HA -0.156 4.420 4.556 0.033 0.000 0.299 298 H C 2.220 177.674 175.328 0.209 0.000 1.099 298 H CA 1.811 58.143 56.048 0.474 0.000 1.315 298 H CB -0.353 29.651 29.762 0.404 0.000 1.380 298 H HN 0.151 nan 8.280 nan 0.000 0.513 299 A N 0.139 123.083 122.820 0.206 0.000 1.898 299 A HA -0.080 4.260 4.320 0.033 0.000 0.214 299 A C 2.446 179.946 177.584 -0.141 0.000 1.183 299 A CA 1.685 53.739 52.037 0.028 0.000 0.622 299 A CB -0.334 18.669 19.000 0.005 0.000 0.824 299 A HN 0.325 nan 8.150 nan 0.000 0.444 300 T N -1.424 112.938 114.554 -0.320 0.000 3.033 300 T HA 0.124 4.494 4.350 0.033 0.000 0.248 300 T C 0.449 174.687 174.700 -0.771 0.000 1.040 300 T CA 0.596 62.345 62.100 -0.584 0.000 1.133 300 T CB -0.051 68.329 68.868 -0.812 0.000 0.895 300 T HN 0.520 nan 8.240 nan 0.000 0.465 301 H N 1.422 120.243 119.070 -0.415 0.000 2.511 301 H HA 0.276 4.852 4.556 0.034 0.000 0.228 301 H C -2.807 172.592 175.328 0.119 0.000 1.424 301 H CA -2.009 53.850 56.048 -0.314 0.000 1.321 301 H CB 0.465 29.739 29.762 -0.813 0.000 1.720 301 H HN 0.267 nan 8.280 nan 0.000 0.512 302 P HA -0.105 nan 4.420 nan 0.000 0.269 302 P C 0.169 177.451 177.300 -0.031 0.000 1.215 302 P CA -0.124 63.057 63.100 0.135 0.000 0.780 302 P CB 1.002 32.718 31.700 0.027 0.000 0.898 303 Y N 2.723 122.572 120.300 -0.751 0.000 2.712 303 Y HA 0.163 4.733 4.550 0.033 0.000 0.333 303 Y C 0.631 176.313 175.900 -0.365 0.000 1.225 303 Y CA 0.716 58.240 58.100 -0.961 0.000 1.499 303 Y CB -0.091 37.604 38.460 -1.276 0.000 1.288 303 Y HN 0.486 nan 8.280 nan 0.000 0.575 304 T N 0.000 114.138 114.554 -0.693 0.000 3.816 304 T HA 0.000 4.370 4.350 0.033 0.000 0.228 304 T CA 0.000 61.795 62.100 -0.508 0.000 1.349 304 T CB 0.000 68.744 68.868 -0.207 0.000 0.612 304 T HN 0.000 nan 8.240 nan 0.000 0.658