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 1g6i_1_A DATA FIRST_RESID 34 DATA SEQUENCE AGEMDRDRIE SMFLESWRDY SKHGWGYDVY GPIEHTSHNM PRGNQPLGWI DATA SEQUENCE IVDSVDTLML MYNSSTLYKS EFEAEIQRSE HWINDVLDFD IDAEVNVFET DATA SEQUENCE TIRMLGGLLS AYHLSDVLEV GNKTVYLNKA IDLGDRLALA FLSTQTGIPY DATA SEQUENCE SSINLHSGQA VKNHADGGAS STAEFTTLQM EFKYLAYLTG NRTYWELVER DATA SEQUENCE VYEPLYKNND LLNTYDGLVP IYTFPDTGKF GASTIRFGSR GDSFYEYLLK DATA SEQUENCE QYLLTHETLY YDLYRKSMEG MKKHLLAQSK PSSLWYIGER EQGLQGQLSP DATA SEQUENCE KMDHLVcFMG GLLASGSTEG LSIHEARRRP FFSXXXXXKS DWDLAKGITD DATA SEQUENCE TcYQMYKQSS SGLAPEIVVF NDGNIKXDGW WRSSVGDFFV KPLDRHNLQR DATA SEQUENCE PETVESIMFM YHLSHDHKYR EWGAEIATSF FENTCVDCND PKLRRFTSLS DATA SEQUENCE DCITLPTKKS NNMESFWLAE TLKYLYILFL DEFDLTKVVF NTEAHPFPVL DATA SEQUENCE DEEILKSQSL TTGWSL 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.563 177.584 -0.035 0.000 1.274 34 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 34 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 35 G N 0.900 109.718 108.800 0.030 0.000 2.459 35 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 35 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 35 G C 0.943 175.826 174.900 -0.029 0.000 1.183 35 G CA 1.521 46.652 45.100 0.051 0.000 0.776 35 G HN 0.836 nan 8.290 nan 0.000 0.552 36 E N -0.445 119.747 120.200 -0.015 0.000 2.204 36 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 36 E C 2.294 178.875 176.600 -0.031 0.000 0.990 36 E CA 0.715 57.104 56.400 -0.019 0.000 0.821 36 E CB -0.152 29.545 29.700 -0.005 0.000 0.750 36 E HN 0.527 nan 8.360 nan 0.000 0.477 37 M N 0.666 120.232 119.600 -0.058 0.000 2.123 37 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 37 M C 1.420 177.648 176.300 -0.121 0.000 1.069 37 M CA 1.661 56.922 55.300 -0.065 0.000 1.133 37 M CB 0.159 32.719 32.600 -0.065 0.000 1.356 37 M HN -0.124 nan 8.290 nan 0.000 0.415 38 D N -0.369 119.874 120.400 -0.261 0.000 2.218 38 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 38 D C 1.946 178.083 176.300 -0.272 0.000 0.976 38 D CA 0.929 54.664 54.000 -0.442 0.000 0.853 38 D CB 0.118 40.256 40.800 -1.102 0.000 0.939 38 D HN 0.201 nan 8.370 nan 0.000 0.481 39 R N 0.443 120.855 120.500 -0.148 0.000 2.066 39 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 39 R C 1.392 177.796 176.300 0.173 0.000 1.131 39 R CA 1.504 57.619 56.100 0.025 0.000 0.955 39 R CB -0.171 30.120 30.300 -0.015 0.000 0.851 39 R HN 0.125 nan 8.270 nan 0.000 0.432 40 D N -0.152 120.322 120.400 0.123 0.000 2.144 40 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 40 D C 1.942 178.367 176.300 0.207 0.000 0.984 40 D CA 1.188 55.319 54.000 0.219 0.000 0.834 40 D CB -0.131 40.755 40.800 0.144 0.000 0.955 40 D HN 0.288 nan 8.370 nan 0.000 0.465 41 R N 0.221 120.763 120.500 0.071 0.000 2.066 41 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 41 R C 2.614 178.942 176.300 0.047 0.000 1.131 41 R CA 0.691 56.797 56.100 0.010 0.000 0.955 41 R CB -0.252 29.978 30.300 -0.117 0.000 0.851 41 R HN 0.219 nan 8.270 nan 0.000 0.432 42 I N 0.921 121.531 120.570 0.067 0.000 2.315 42 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 42 I C 1.963 178.158 176.117 0.130 0.000 1.117 42 I CA 1.367 62.727 61.300 0.100 0.000 1.404 42 I CB -0.255 37.852 38.000 0.178 0.000 1.071 42 I HN 0.220 nan 8.210 nan 0.000 0.419 43 E N 0.420 120.729 120.200 0.183 0.000 2.106 43 E HA -0.153 4.196 4.350 -0.000 0.000 0.192 43 E C 2.329 179.005 176.600 0.127 0.000 0.984 43 E CA 1.354 57.871 56.400 0.196 0.000 0.806 43 E CB -0.038 29.883 29.700 0.368 0.000 0.750 43 E HN 0.368 nan 8.360 nan 0.000 0.458 44 S N 0.722 116.471 115.700 0.082 0.000 2.355 44 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 44 S C 1.996 176.700 174.600 0.174 0.000 1.031 44 S CA 1.008 59.213 58.200 0.010 0.000 0.993 44 S CB -0.090 63.187 63.200 0.128 0.000 0.859 44 S HN 0.216 nan 8.310 nan 0.000 0.453 45 M N -0.018 119.714 119.600 0.221 0.000 2.080 45 M HA -0.111 4.369 4.480 -0.000 0.000 0.260 45 M C 2.001 178.483 176.300 0.303 0.000 1.068 45 M CA 1.635 57.103 55.300 0.280 0.000 1.109 45 M CB -0.505 32.104 32.600 0.016 0.000 1.342 45 M HN 0.325 nan 8.290 nan 0.000 0.405 46 F N 1.225 121.207 119.950 0.053 0.000 2.102 46 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 46 F C 1.955 177.862 175.800 0.177 0.000 1.105 46 F CA 1.548 59.576 58.000 0.047 0.000 1.239 46 F CB -0.086 38.881 39.000 -0.056 0.000 0.991 46 F HN -0.042 nan 8.300 nan 0.000 0.474 47 L N 0.008 121.460 121.223 0.383 0.000 2.131 47 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 47 L C 2.314 179.312 176.870 0.214 0.000 1.092 47 L CA 1.498 56.469 54.840 0.219 0.000 0.759 47 L CB -0.706 41.258 42.059 -0.159 0.000 0.903 47 L HN 0.222 nan 8.230 nan 0.000 0.435 48 E N -0.486 119.863 120.200 0.248 0.000 2.077 48 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 48 E C 2.345 179.116 176.600 0.285 0.000 0.989 48 E CA 1.415 57.975 56.400 0.266 0.000 0.800 48 E CB 0.003 29.927 29.700 0.372 0.000 0.746 48 E HN 0.331 nan 8.360 nan 0.000 0.452 49 S N 0.306 116.231 115.700 0.376 0.000 2.355 49 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 49 S C 1.363 176.107 174.600 0.240 0.000 1.031 49 S CA 0.643 59.054 58.200 0.352 0.000 0.993 49 S CB -0.299 63.177 63.200 0.460 0.000 0.859 49 S HN 0.476 nan 8.310 nan 0.000 0.453 50 W N 2.614 123.895 121.300 -0.031 0.000 2.358 50 W HA -0.096 4.564 4.660 -0.000 0.000 0.303 50 W C 2.081 178.658 176.519 0.097 0.000 1.208 50 W CA 1.122 58.477 57.345 0.016 0.000 1.274 50 W CB -0.262 29.209 29.460 0.019 0.000 1.138 50 W HN 0.273 nan 8.180 nan 0.000 0.515 51 R N 0.097 120.701 120.500 0.175 0.000 2.073 51 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 51 R C 1.920 178.194 176.300 -0.044 0.000 1.134 51 R CA 2.179 58.300 56.100 0.036 0.000 0.952 51 R CB -0.875 29.466 30.300 0.068 0.000 0.850 51 R HN 0.102 nan 8.270 nan 0.000 0.433 52 D N -0.253 120.182 120.400 0.058 0.000 2.097 52 D HA -0.221 4.418 4.640 -0.000 0.000 0.195 52 D C 1.789 178.082 176.300 -0.013 0.000 0.989 52 D CA 1.001 55.081 54.000 0.133 0.000 0.827 52 D CB -0.105 40.860 40.800 0.276 0.000 0.966 52 D HN 0.228 nan 8.370 nan 0.000 0.456 53 Y N 0.798 120.922 120.300 -0.294 0.000 2.145 53 Y HA -0.160 4.389 4.550 -0.001 0.000 0.286 53 Y C 2.503 178.081 175.900 -0.536 0.000 1.145 53 Y CA 2.491 60.159 58.100 -0.721 0.000 1.148 53 Y CB -0.860 37.218 38.460 -0.638 0.000 0.981 53 Y HN 0.079 nan 8.280 nan 0.000 0.507 54 S N 0.487 115.833 115.700 -0.590 0.000 2.382 54 S HA -0.223 4.246 4.470 -0.000 0.000 0.228 54 S C 2.139 176.475 174.600 -0.441 0.000 1.027 54 S CA 1.640 59.525 58.200 -0.524 0.000 0.991 54 S CB -0.648 62.202 63.200 -0.584 0.000 0.823 54 S HN 0.530 nan 8.310 nan 0.000 0.469 55 K N -0.663 119.493 120.400 -0.406 0.000 2.062 55 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 55 K C 1.586 177.861 176.600 -0.542 0.000 1.051 55 K CA 1.327 57.336 56.287 -0.464 0.000 0.941 55 K CB -0.081 32.106 32.500 -0.521 0.000 0.719 55 K HN 0.603 nan 8.250 nan 0.000 0.440 56 H N -2.427 116.507 119.070 -0.227 0.000 2.615 56 H HA 0.170 4.726 4.556 -0.000 0.000 0.275 56 H C 1.174 176.409 175.328 -0.156 0.000 0.981 56 H CA 1.028 57.006 56.048 -0.116 0.000 1.252 56 H CB 1.034 30.857 29.762 0.101 0.000 1.447 56 H HN 0.318 nan 8.280 nan 0.000 0.498 57 G N -0.242 108.321 108.800 -0.394 0.000 3.993 57 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.294 57 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.294 57 G C -0.274 174.278 174.900 -0.579 0.000 1.043 57 G CA -0.455 44.429 45.100 -0.360 0.000 0.839 57 G HN 0.214 nan 8.290 nan 0.000 0.516 58 W N 1.058 121.903 121.300 -0.758 0.000 2.443 58 W HA 0.297 4.957 4.660 -0.000 0.000 0.335 58 W C 1.027 177.282 176.519 -0.441 0.000 1.382 58 W CA 1.605 58.504 57.345 -0.743 0.000 1.305 58 W CB 0.311 29.463 29.460 -0.514 0.000 1.283 58 W HN 0.515 nan 8.180 nan 0.000 0.567 59 G N 4.289 112.251 108.800 -1.396 0.000 2.195 59 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.246 59 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.246 59 G C -0.580 173.941 174.900 -0.631 0.000 0.984 59 G CA 0.149 44.517 45.100 -1.220 0.000 0.633 59 G HN 0.589 nan 8.290 nan 0.000 0.525 60 Y N 1.048 121.215 120.300 -0.222 0.000 2.352 60 Y HA 0.485 5.034 4.550 -0.001 0.000 0.326 60 Y C 1.366 177.296 175.900 0.050 0.000 1.166 60 Y CA -0.408 57.678 58.100 -0.023 0.000 1.182 60 Y CB 1.103 39.570 38.460 0.012 0.000 1.216 60 Y HN -0.032 nan 8.280 nan 0.000 0.474 61 D N 0.912 121.422 120.400 0.183 0.000 2.144 61 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 61 D C -0.132 176.229 176.300 0.101 0.000 0.978 61 D CA 1.249 55.340 54.000 0.151 0.000 0.833 61 D CB 0.195 41.005 40.800 0.018 0.000 0.961 61 D HN 0.129 nan 8.370 nan 0.000 0.470 62 V N 0.244 120.138 119.914 -0.033 0.000 2.540 62 V HA 0.368 4.488 4.120 -0.000 0.000 0.302 62 V C -1.010 175.119 176.094 0.059 0.000 1.035 62 V CA -1.000 61.229 62.300 -0.119 0.000 0.873 62 V CB 2.095 33.566 31.823 -0.586 0.000 0.992 62 V HN 0.043 nan 8.190 nan 0.000 0.428 63 Y N 2.164 122.455 120.300 -0.015 0.000 2.433 63 Y HA 0.715 5.265 4.550 -0.001 0.000 0.337 63 Y C 0.168 176.067 175.900 -0.002 0.000 1.026 63 Y CA -0.596 57.530 58.100 0.043 0.000 1.037 63 Y CB 2.224 40.820 38.460 0.226 0.000 1.245 63 Y HN 0.731 nan 8.280 nan 0.000 0.443 64 G N 6.196 114.518 108.800 -0.798 0.000 2.468 64 G HA2 0.434 4.394 3.960 -0.000 0.000 0.315 64 G HA3 0.434 4.394 3.960 -0.000 0.000 0.315 64 G C -2.670 171.593 174.900 -1.061 0.000 1.203 64 G CA -1.864 42.826 45.100 -0.683 0.000 0.962 64 G HN 0.525 nan 8.290 nan 0.000 0.476 65 P HA -0.064 nan 4.420 nan 0.000 0.218 65 P C 1.952 178.881 177.300 -0.619 0.000 1.149 65 P CA 0.428 63.201 63.100 -0.545 0.000 0.817 65 P CB 0.378 31.959 31.700 -0.198 0.000 0.785 66 I N -0.139 120.133 120.570 -0.496 0.000 2.142 66 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 66 I C 1.713 177.504 176.117 -0.543 0.000 1.078 66 I CA 1.707 62.744 61.300 -0.438 0.000 1.343 66 I CB -0.630 37.198 38.000 -0.286 0.000 1.046 66 I HN 0.003 nan 8.210 nan 0.000 0.405 67 E N -0.803 119.114 120.200 -0.470 0.000 2.474 67 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 67 E C -0.358 176.055 176.600 -0.312 0.000 1.039 67 E CA -0.044 56.154 56.400 -0.338 0.000 0.881 67 E CB 0.194 29.770 29.700 -0.207 0.000 0.970 67 E HN 0.388 nan 8.360 nan 0.000 0.486 68 H N 0.498 119.368 119.070 -0.333 0.000 2.791 68 H HA -0.131 4.425 4.556 -0.000 0.000 0.302 68 H C -0.044 175.197 175.328 -0.145 0.000 1.198 68 H CA 1.307 57.183 56.048 -0.287 0.000 1.145 68 H CB -2.457 26.972 29.762 -0.555 0.000 1.385 68 H HN 0.305 nan 8.280 nan 0.000 0.409 69 T N -1.425 113.015 114.554 -0.191 0.000 2.934 69 T HA 0.700 5.050 4.350 -0.000 0.000 0.283 69 T C 0.638 175.307 174.700 -0.053 0.000 1.005 69 T CA -0.140 61.903 62.100 -0.096 0.000 1.041 69 T CB 3.179 71.982 68.868 -0.108 0.000 1.042 69 T HN 0.465 nan 8.240 nan 0.000 0.505 70 S N 0.078 115.743 115.700 -0.058 0.000 2.588 70 S HA 0.703 5.173 4.470 -0.000 0.000 0.269 70 S C -1.284 173.246 174.600 -0.117 0.000 1.157 70 S CA -1.076 57.080 58.200 -0.073 0.000 0.824 70 S CB 1.749 64.874 63.200 -0.125 0.000 1.126 70 S HN 1.458 nan 8.310 nan 0.000 0.464 71 H N -0.297 118.752 119.070 -0.035 0.000 2.950 71 H HA 0.539 5.095 4.556 -0.000 0.000 0.307 71 H C -1.916 173.566 175.328 0.257 0.000 1.403 71 H CA -0.838 55.265 56.048 0.091 0.000 1.145 71 H CB 0.493 30.270 29.762 0.026 0.000 1.844 71 H HN 0.588 nan 8.280 nan 0.000 0.515 72 N N 0.350 119.270 118.700 0.367 0.000 2.472 72 N HA 0.245 4.985 4.740 -0.000 0.000 0.289 72 N C 1.264 176.888 175.510 0.189 0.000 1.156 72 N CA -0.587 52.582 53.050 0.199 0.000 0.940 72 N CB 2.007 40.597 38.487 0.171 0.000 1.200 72 N HN 0.602 nan 8.380 nan 0.000 0.511 73 M N 0.185 119.807 119.600 0.036 0.000 2.156 73 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 73 M C -1.286 175.026 176.300 0.020 0.000 1.067 73 M CA 0.858 56.154 55.300 -0.007 0.000 1.131 73 M CB -1.209 31.260 32.600 -0.219 0.000 1.368 73 M HN 0.273 nan 8.290 nan 0.000 0.416 74 P HA 0.061 nan 4.420 nan 0.000 0.266 74 P C 0.616 177.940 177.300 0.039 0.000 1.195 74 P CA 0.453 63.572 63.100 0.031 0.000 0.768 74 P CB 0.508 32.232 31.700 0.041 0.000 0.838 75 R N 2.870 123.386 120.500 0.028 0.000 2.170 75 R HA -0.102 4.237 4.340 -0.000 0.000 0.242 75 R C 2.109 178.423 176.300 0.023 0.000 1.145 75 R CA 2.181 58.294 56.100 0.021 0.000 0.984 75 R CB -1.988 28.320 30.300 0.013 0.000 0.869 75 R HN 0.694 nan 8.270 nan 0.000 0.455 76 G N -0.800 108.014 108.800 0.024 0.000 2.920 76 G HA2 0.060 4.020 3.960 -0.000 0.000 0.208 76 G HA3 0.060 4.020 3.960 -0.000 0.000 0.208 76 G C 0.678 175.597 174.900 0.032 0.000 1.159 76 G CA 0.698 45.809 45.100 0.019 0.000 0.784 76 G HN 0.709 nan 8.290 nan 0.000 0.535 77 N N -1.151 117.580 118.700 0.051 0.000 2.901 77 N HA -0.163 4.576 4.740 -0.000 0.000 0.248 77 N C 0.264 175.808 175.510 0.057 0.000 1.044 77 N CA 0.705 53.803 53.050 0.080 0.000 0.847 77 N CB -1.432 37.109 38.487 0.090 0.000 1.127 77 N HN 0.557 nan 8.380 nan 0.000 0.562 78 Q N 0.738 120.556 119.800 0.031 0.000 2.293 78 Q HA 0.368 4.708 4.340 -0.000 0.000 0.251 78 Q C -2.215 173.793 176.000 0.013 0.000 0.930 78 Q CA -1.457 54.346 55.803 -0.000 0.000 0.893 78 Q CB 1.000 29.728 28.738 -0.016 0.000 1.215 78 Q HN 0.302 nan 8.270 nan 0.000 0.425 79 P HA 0.052 nan 4.420 nan 0.000 0.277 79 P C -0.351 176.992 177.300 0.071 0.000 1.240 79 P CA 0.007 63.147 63.100 0.067 0.000 0.798 79 P CB 1.046 32.842 31.700 0.159 0.000 0.979 80 L N 0.712 122.051 121.223 0.194 0.000 2.664 80 L HA 0.268 4.608 4.340 -0.000 0.000 0.233 80 L C 1.558 178.695 176.870 0.445 0.000 1.113 80 L CA 0.601 55.635 54.840 0.323 0.000 0.896 80 L CB -0.352 41.981 42.059 0.457 0.000 1.163 80 L HN 0.702 nan 8.230 nan 0.000 0.497 81 G N -0.832 108.235 108.800 0.445 0.000 2.147 81 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 81 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 81 G C 0.788 175.896 174.900 0.347 0.000 1.005 81 G CA 0.293 45.659 45.100 0.443 0.000 0.713 81 G HN 0.482 nan 8.290 nan 0.000 0.515 82 W N -0.460 120.911 121.300 0.119 0.000 2.305 82 W HA -0.193 4.467 4.660 0.000 0.000 0.308 82 W C 2.164 178.703 176.519 0.033 0.000 1.226 82 W CA 1.850 59.249 57.345 0.090 0.000 1.253 82 W CB -0.033 29.468 29.460 0.068 0.000 1.146 82 W HN 0.485 nan 8.180 nan 0.000 0.507 83 I N -1.089 119.533 120.570 0.087 0.000 2.628 83 I HA -0.212 3.958 4.170 -0.000 0.000 0.255 83 I C 2.257 178.334 176.117 -0.066 0.000 1.119 83 I CA 0.470 61.702 61.300 -0.113 0.000 1.448 83 I CB -0.510 37.227 38.000 -0.440 0.000 1.133 83 I HN -0.211 nan 8.210 nan 0.000 0.438 84 I N 0.409 120.916 120.570 -0.105 0.000 2.113 84 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 84 I C 2.539 178.763 176.117 0.178 0.000 1.070 84 I CA 1.412 62.739 61.300 0.045 0.000 1.332 84 I CB -0.358 37.450 38.000 -0.321 0.000 1.044 84 I HN 0.004 nan 8.210 nan 0.000 0.402 85 V N 0.582 120.598 119.914 0.169 0.000 2.407 85 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 85 V C 2.059 178.195 176.094 0.071 0.000 1.055 85 V CA 2.159 64.561 62.300 0.170 0.000 1.049 85 V CB -0.675 31.279 31.823 0.218 0.000 0.662 85 V HN 0.418 nan 8.190 nan 0.000 0.455 86 D N -0.255 120.180 120.400 0.059 0.000 2.264 86 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 86 D C 2.176 178.592 176.300 0.193 0.000 0.966 86 D CA 1.258 55.328 54.000 0.117 0.000 0.864 86 D CB 0.058 40.860 40.800 0.004 0.000 0.933 86 D HN 0.433 nan 8.370 nan 0.000 0.499 87 S N -1.341 114.452 115.700 0.156 0.000 2.511 87 S HA 0.047 4.517 4.470 -0.000 0.000 0.214 87 S C 2.078 176.707 174.600 0.048 0.000 0.997 87 S CA -0.213 58.084 58.200 0.161 0.000 0.908 87 S CB 0.604 63.975 63.200 0.285 0.000 0.803 87 S HN 0.068 nan 8.310 nan 0.000 0.504 88 V N 3.930 123.871 119.914 0.045 0.000 2.282 88 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 88 V C 2.483 178.510 176.094 -0.112 0.000 1.057 88 V CA 2.335 64.617 62.300 -0.029 0.000 1.032 88 V CB -0.822 30.995 31.823 -0.010 0.000 0.645 88 V HN 0.619 nan 8.190 nan 0.000 0.447 89 D N -0.774 119.577 120.400 -0.081 0.000 2.219 89 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 89 D C 1.852 178.070 176.300 -0.137 0.000 0.970 89 D CA 1.680 55.630 54.000 -0.084 0.000 0.851 89 D CB -0.782 40.032 40.800 0.023 0.000 0.943 89 D HN 0.424 nan 8.370 nan 0.000 0.488 90 T N 0.640 115.091 114.554 -0.172 0.000 2.857 90 T HA 0.039 4.389 4.350 -0.000 0.000 0.266 90 T C 2.075 176.407 174.700 -0.614 0.000 1.048 90 T CA 0.551 62.434 62.100 -0.362 0.000 1.139 90 T CB -0.250 68.432 68.868 -0.311 0.000 0.874 90 T HN 0.144 nan 8.240 nan 0.000 0.455 91 L N 0.331 121.246 121.223 -0.514 0.000 2.046 91 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 91 L C 2.680 179.325 176.870 -0.374 0.000 1.077 91 L CA 1.359 55.901 54.840 -0.497 0.000 0.747 91 L CB -0.541 41.329 42.059 -0.315 0.000 0.896 91 L HN 0.311 nan 8.230 nan 0.000 0.432 92 M N -0.804 118.650 119.600 -0.244 0.000 2.132 92 M HA -0.213 4.266 4.480 -0.000 0.000 0.263 92 M C 2.293 178.523 176.300 -0.118 0.000 1.065 92 M CA 1.698 56.929 55.300 -0.114 0.000 1.122 92 M CB -0.351 32.185 32.600 -0.107 0.000 1.365 92 M HN 0.219 nan 8.290 nan 0.000 0.411 93 L N -0.313 120.782 121.223 -0.213 0.000 2.046 93 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 93 L C 2.578 179.280 176.870 -0.281 0.000 1.077 93 L CA 1.283 56.026 54.840 -0.160 0.000 0.747 93 L CB -0.446 41.547 42.059 -0.110 0.000 0.896 93 L HN 0.373 nan 8.230 nan 0.000 0.432 94 M N -1.712 117.449 119.600 -0.732 0.000 2.175 94 M HA -0.223 4.257 4.480 -0.000 0.000 0.264 94 M C 2.391 178.192 176.300 -0.832 0.000 1.063 94 M CA 1.658 56.265 55.300 -1.154 0.000 1.119 94 M CB -0.552 30.797 32.600 -2.085 0.000 1.377 94 M HN 0.212 nan 8.290 nan 0.000 0.415 95 Y N 1.401 121.259 120.300 -0.736 0.000 2.165 95 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 95 Y C 1.960 177.781 175.900 -0.131 0.000 1.155 95 Y CA 2.042 59.978 58.100 -0.274 0.000 1.164 95 Y CB -0.673 37.712 38.460 -0.124 0.000 0.978 95 Y HN 0.255 nan 8.280 nan 0.000 0.513 96 N N -0.634 117.829 118.700 -0.396 0.000 2.381 96 N HA -0.122 4.617 4.740 -0.000 0.000 0.182 96 N C 0.911 176.271 175.510 -0.250 0.000 1.025 96 N CA 1.561 54.379 53.050 -0.387 0.000 0.888 96 N CB -0.127 38.277 38.487 -0.139 0.000 0.965 96 N HN 0.314 nan 8.380 nan 0.000 0.438 97 S N -1.905 113.709 115.700 -0.144 0.000 2.733 97 S HA 0.177 4.647 4.470 -0.000 0.000 0.247 97 S C -0.026 174.582 174.600 0.014 0.000 1.043 97 S CA -0.552 57.627 58.200 -0.036 0.000 1.066 97 S CB 0.453 63.682 63.200 0.048 0.000 1.045 97 S HN 0.210 nan 8.310 nan 0.000 0.586 98 S N 2.438 118.133 115.700 -0.009 0.000 2.549 98 S HA 0.223 4.692 4.470 -0.000 0.000 0.279 98 S C 1.333 175.968 174.600 0.059 0.000 1.321 98 S CA 0.354 58.618 58.200 0.106 0.000 1.054 98 S CB 0.736 64.090 63.200 0.257 0.000 0.899 98 S HN 0.519 nan 8.310 nan 0.000 0.497 99 T N 2.644 117.228 114.554 0.050 0.000 2.971 99 T HA 0.275 4.625 4.350 -0.000 0.000 0.252 99 T C 1.338 175.996 174.700 -0.070 0.000 1.022 99 T CA -0.114 61.980 62.100 -0.010 0.000 0.980 99 T CB -0.146 68.712 68.868 -0.016 0.000 1.044 99 T HN 0.526 nan 8.240 nan 0.000 0.501 100 L N -1.319 119.813 121.223 -0.152 0.000 2.537 100 L HA 0.400 4.740 4.340 -0.000 0.000 0.224 100 L C 0.832 177.357 176.870 -0.575 0.000 1.065 100 L CA 0.254 54.816 54.840 -0.463 0.000 0.860 100 L CB 0.281 41.857 42.059 -0.806 0.000 1.086 100 L HN 0.219 nan 8.230 nan 0.000 0.482 101 Y N -1.431 118.953 120.300 0.139 0.000 2.707 101 Y HA 0.231 4.781 4.550 -0.000 0.000 0.249 101 Y C 1.778 177.802 175.900 0.207 0.000 1.166 101 Y CA -0.533 57.621 58.100 0.091 0.000 1.184 101 Y CB 0.078 38.500 38.460 -0.063 0.000 1.240 101 Y HN -0.089 nan 8.280 nan 0.000 0.547 102 K N 0.681 121.282 120.400 0.336 0.000 2.089 102 K HA -0.267 4.052 4.320 -0.000 0.000 0.210 102 K C 2.389 179.212 176.600 0.372 0.000 1.048 102 K CA 1.913 58.416 56.287 0.359 0.000 0.926 102 K CB -0.141 32.449 32.500 0.149 0.000 0.714 102 K HN 0.283 nan 8.250 nan 0.000 0.448 103 S N 0.267 116.100 115.700 0.221 0.000 2.382 103 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 103 S C 1.864 176.533 174.600 0.115 0.000 1.027 103 S CA 1.576 59.872 58.200 0.159 0.000 0.991 103 S CB -0.183 63.075 63.200 0.097 0.000 0.823 103 S HN 0.440 nan 8.310 nan 0.000 0.469 104 E N -0.694 119.554 120.200 0.080 0.000 2.072 104 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 104 E C 1.670 178.228 176.600 -0.070 0.000 0.985 104 E CA 1.116 57.496 56.400 -0.034 0.000 0.801 104 E CB -0.220 29.408 29.700 -0.121 0.000 0.750 104 E HN 0.681 nan 8.360 nan 0.000 0.452 105 F N 1.197 121.190 119.950 0.072 0.000 2.134 105 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 105 F C 2.516 178.273 175.800 -0.071 0.000 1.097 105 F CA 1.444 59.437 58.000 -0.013 0.000 1.264 105 F CB -0.101 38.920 39.000 0.035 0.000 1.001 105 F HN 0.133 nan 8.300 nan 0.000 0.479 106 E N 0.525 120.803 120.200 0.130 0.000 2.077 106 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 106 E C 2.316 178.860 176.600 -0.093 0.000 0.989 106 E CA 1.081 57.388 56.400 -0.155 0.000 0.800 106 E CB -0.176 29.459 29.700 -0.109 0.000 0.746 106 E HN 0.335 nan 8.360 nan 0.000 0.452 107 A N 1.073 123.878 122.820 -0.025 0.000 1.933 107 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 107 A C 1.977 179.547 177.584 -0.023 0.000 1.175 107 A CA 1.429 53.448 52.037 -0.030 0.000 0.628 107 A CB -0.386 18.606 19.000 -0.013 0.000 0.814 107 A HN 0.207 nan 8.150 nan 0.000 0.444 108 E N 0.023 120.232 120.200 0.015 0.000 2.150 108 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 108 E C 1.908 178.567 176.600 0.099 0.000 0.985 108 E CA 0.773 57.235 56.400 0.103 0.000 0.814 108 E CB -0.403 29.346 29.700 0.082 0.000 0.752 108 E HN 0.744 nan 8.360 nan 0.000 0.466 109 I N 1.209 121.781 120.570 0.003 0.000 2.226 109 I HA -0.280 3.889 4.170 -0.000 0.000 0.245 109 I C 2.410 178.539 176.117 0.020 0.000 1.100 109 I CA 0.961 62.265 61.300 0.007 0.000 1.374 109 I CB -0.195 37.748 38.000 -0.095 0.000 1.057 109 I HN 0.032 nan 8.210 nan 0.000 0.413 110 Q N 0.398 120.145 119.800 -0.089 0.000 2.050 110 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 110 Q C 2.258 178.022 176.000 -0.393 0.000 0.980 110 Q CA 1.449 57.081 55.803 -0.285 0.000 0.840 110 Q CB -0.544 28.029 28.738 -0.275 0.000 0.898 110 Q HN 0.471 nan 8.270 nan 0.000 0.424 111 R N 0.281 120.710 120.500 -0.119 0.000 2.080 111 R HA -0.106 4.234 4.340 -0.000 0.000 0.236 111 R C 2.384 178.904 176.300 0.367 0.000 1.137 111 R CA 1.692 57.807 56.100 0.026 0.000 0.943 111 R CB 0.015 30.267 30.300 -0.080 0.000 0.846 111 R HN 0.156 nan 8.270 nan 0.000 0.431 112 S N 0.498 116.490 115.700 0.487 0.000 2.356 112 S HA -0.194 4.276 4.470 -0.000 0.000 0.223 112 S C 1.740 176.652 174.600 0.520 0.000 1.032 112 S CA 1.520 60.115 58.200 0.658 0.000 1.005 112 S CB -0.279 63.262 63.200 0.568 0.000 0.867 112 S HN 0.454 nan 8.310 nan 0.000 0.449 113 E N 0.713 121.118 120.200 0.342 0.000 2.058 113 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 113 E C 1.818 178.594 176.600 0.293 0.000 0.997 113 E CA 1.316 57.877 56.400 0.268 0.000 0.801 113 E CB -0.175 29.622 29.700 0.162 0.000 0.746 113 E HN 0.723 nan 8.360 nan 0.000 0.450 114 H N -1.762 117.440 119.070 0.219 0.000 2.353 114 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 114 H C 1.732 177.193 175.328 0.222 0.000 1.090 114 H CA 1.016 57.166 56.048 0.171 0.000 1.327 114 H CB -0.195 29.668 29.762 0.168 0.000 1.383 114 H HN 0.376 nan 8.280 nan 0.000 0.508 115 W N 1.759 123.248 121.300 0.315 0.000 2.355 115 W HA -0.146 4.514 4.660 -0.001 0.000 0.309 115 W C 1.997 178.584 176.519 0.113 0.000 1.206 115 W CA 1.297 58.784 57.345 0.236 0.000 1.284 115 W CB -0.374 29.284 29.460 0.330 0.000 1.145 115 W HN 0.034 nan 8.180 nan 0.000 0.502 116 I N 0.762 121.553 120.570 0.368 0.000 2.208 116 I HA -0.366 3.803 4.170 -0.000 0.000 0.245 116 I C 2.208 178.285 176.117 -0.067 0.000 1.097 116 I CA 1.991 63.378 61.300 0.144 0.000 1.363 116 I CB -0.702 37.480 38.000 0.304 0.000 1.051 116 I HN 0.126 nan 8.210 nan 0.000 0.413 117 N N 0.526 119.216 118.700 -0.016 0.000 2.173 117 N HA -0.158 4.581 4.740 -0.000 0.000 0.184 117 N C 1.394 176.837 175.510 -0.111 0.000 1.025 117 N CA 1.452 54.465 53.050 -0.062 0.000 0.852 117 N CB 0.099 38.568 38.487 -0.030 0.000 0.998 117 N HN 0.167 nan 8.380 nan 0.000 0.427 118 D N -1.230 119.102 120.400 -0.113 0.000 2.301 118 D HA 0.056 4.696 4.640 -0.000 0.000 0.206 118 D C 1.618 177.768 176.300 -0.251 0.000 0.979 118 D CA 0.516 54.432 54.000 -0.140 0.000 0.874 118 D CB 0.354 41.115 40.800 -0.065 0.000 0.968 118 D HN 0.132 nan 8.370 nan 0.000 0.510 119 V N 0.485 120.112 119.914 -0.479 0.000 2.743 119 V HA 0.093 4.213 4.120 -0.000 0.000 0.237 119 V C 0.768 176.390 176.094 -0.785 0.000 1.113 119 V CA -0.271 61.629 62.300 -0.666 0.000 1.141 119 V CB 0.055 31.275 31.823 -1.006 0.000 0.873 119 V HN 0.071 nan 8.190 nan 0.000 0.486 120 L N 2.457 122.993 121.223 -1.145 0.000 2.578 120 L HA 0.182 4.522 4.340 -0.000 0.000 0.279 120 L C -0.484 176.034 176.870 -0.586 0.000 1.227 120 L CA 1.005 55.283 54.840 -0.937 0.000 0.900 120 L CB -0.261 41.298 42.059 -0.834 0.000 1.144 120 L HN 0.311 nan 8.230 nan 0.000 0.496 121 D N 4.127 124.198 120.400 -0.549 0.000 2.616 121 D HA 0.136 4.776 4.640 -0.000 0.000 0.238 121 D C 0.055 176.167 176.300 -0.313 0.000 1.354 121 D CA -0.292 53.508 54.000 -0.334 0.000 0.970 121 D CB 0.464 41.144 40.800 -0.200 0.000 1.369 121 D HN 0.452 nan 8.370 nan 0.000 0.585 122 F N 0.863 120.819 119.950 0.010 0.000 2.811 122 F HA 0.047 4.574 4.527 -0.001 0.000 0.301 122 F C 1.411 177.251 175.800 0.066 0.000 1.151 122 F CA -0.101 57.928 58.000 0.049 0.000 1.412 122 F CB 0.372 39.410 39.000 0.064 0.000 1.113 122 F HN 0.227 nan 8.300 nan 0.000 0.579 123 D N 1.934 122.439 120.400 0.175 0.000 2.608 123 D HA 0.157 4.797 4.640 -0.000 0.000 0.224 123 D C -0.282 176.111 176.300 0.155 0.000 1.123 123 D CA 0.261 54.372 54.000 0.184 0.000 1.030 123 D CB -0.467 40.425 40.800 0.153 0.000 1.093 123 D HN 0.174 nan 8.370 nan 0.000 0.497 124 I N 1.323 121.998 120.570 0.174 0.000 2.406 124 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 124 I C 0.199 176.392 176.117 0.126 0.000 0.999 124 I CA -1.044 60.324 61.300 0.113 0.000 1.124 124 I CB 1.805 39.874 38.000 0.115 0.000 1.289 124 I HN -0.051 nan 8.210 nan 0.000 0.441 125 D N 6.486 126.907 120.400 0.035 0.000 2.508 125 D HA 0.516 5.156 4.640 -0.000 0.000 0.224 125 D C -0.559 175.769 176.300 0.047 0.000 1.171 125 D CA 0.213 54.229 54.000 0.028 0.000 1.006 125 D CB 0.212 40.949 40.800 -0.105 0.000 1.073 125 D HN 0.667 nan 8.370 nan 0.000 0.513 126 A N 2.992 125.861 122.820 0.082 0.000 2.594 126 A HA 0.466 4.786 4.320 -0.000 0.000 0.296 126 A C -0.764 176.868 177.584 0.080 0.000 1.061 126 A CA -0.895 51.182 52.037 0.067 0.000 0.689 126 A CB 1.038 20.074 19.000 0.059 0.000 1.280 126 A HN 0.328 nan 8.150 nan 0.000 0.406 127 E N 0.426 120.664 120.200 0.064 0.000 2.259 127 E HA 0.482 4.832 4.350 -0.000 0.000 0.281 127 E C -0.184 176.456 176.600 0.066 0.000 1.027 127 E CA -0.487 55.953 56.400 0.068 0.000 0.838 127 E CB 1.781 31.515 29.700 0.057 0.000 1.066 127 E HN 0.825 nan 8.360 nan 0.000 0.401 128 V N 0.660 120.624 119.914 0.084 0.000 2.914 128 V HA 0.471 4.590 4.120 -0.000 0.000 0.314 128 V C -0.425 175.738 176.094 0.115 0.000 1.084 128 V CA -1.295 61.058 62.300 0.089 0.000 0.963 128 V CB 1.962 33.856 31.823 0.120 0.000 1.025 128 V HN 0.591 nan 8.190 nan 0.000 0.432 129 N N 1.909 120.693 118.700 0.140 0.000 2.475 129 N HA 0.254 4.993 4.740 -0.000 0.000 0.267 129 N C 0.777 176.411 175.510 0.207 0.000 1.169 129 N CA 0.138 53.298 53.050 0.184 0.000 0.947 129 N CB 1.573 40.199 38.487 0.230 0.000 1.061 129 N HN 0.590 nan 8.380 nan 0.000 0.466 130 V N 4.170 124.195 119.914 0.185 0.000 2.287 130 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 130 V C 1.771 178.006 176.094 0.235 0.000 1.053 130 V CA 1.788 64.190 62.300 0.170 0.000 1.027 130 V CB -1.115 30.766 31.823 0.096 0.000 0.646 130 V HN 0.768 nan 8.190 nan 0.000 0.447 131 F N 1.488 121.517 119.950 0.132 0.000 2.046 131 F HA -0.187 4.340 4.527 -0.001 0.000 0.297 131 F C 2.530 178.417 175.800 0.144 0.000 1.123 131 F CA 2.174 60.247 58.000 0.123 0.000 1.199 131 F CB -0.513 38.536 39.000 0.081 0.000 0.972 131 F HN 0.120 nan 8.300 nan 0.000 0.474 132 E N 0.052 120.174 120.200 -0.131 0.000 2.058 132 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 132 E C 2.239 178.841 176.600 0.002 0.000 0.997 132 E CA 2.086 58.396 56.400 -0.151 0.000 0.801 132 E CB -0.967 28.955 29.700 0.370 0.000 0.746 132 E HN 0.466 nan 8.360 nan 0.000 0.450 133 T N 0.782 115.463 114.554 0.211 0.000 2.867 133 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 133 T C 1.975 176.672 174.700 -0.004 0.000 1.057 133 T CA 1.608 63.824 62.100 0.194 0.000 1.136 133 T CB -0.287 68.719 68.868 0.229 0.000 0.874 133 T HN 0.157 nan 8.240 nan 0.000 0.466 134 T N 2.757 117.311 114.554 0.000 0.000 2.737 134 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 134 T C 2.111 176.781 174.700 -0.050 0.000 1.038 134 T CA 1.359 63.453 62.100 -0.010 0.000 1.144 134 T CB -0.393 68.568 68.868 0.155 0.000 0.866 134 T HN 0.644 nan 8.240 nan 0.000 0.434 135 I N -0.361 120.122 120.570 -0.144 0.000 2.439 135 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 135 I C 2.380 178.475 176.117 -0.038 0.000 1.139 135 I CA 1.234 62.469 61.300 -0.108 0.000 1.438 135 I CB -0.290 37.526 38.000 -0.308 0.000 1.085 135 I HN 0.022 nan 8.210 nan 0.000 0.427 136 R N 0.131 120.524 120.500 -0.177 0.000 2.062 136 R HA 0.195 4.534 4.340 -0.000 0.000 0.218 136 R C 2.312 178.519 176.300 -0.156 0.000 1.161 136 R CA 0.987 56.975 56.100 -0.187 0.000 0.994 136 R CB -0.298 29.624 30.300 -0.630 0.000 0.888 136 R HN 0.234 nan 8.270 nan 0.000 0.442 137 M N 0.464 119.952 119.600 -0.187 0.000 2.134 137 M HA -0.008 4.471 4.480 -0.000 0.000 0.262 137 M C 2.289 178.531 176.300 -0.097 0.000 1.076 137 M CA 1.159 56.414 55.300 -0.075 0.000 1.143 137 M CB -0.922 31.690 32.600 0.020 0.000 1.346 137 M HN 0.109 nan 8.290 nan 0.000 0.421 138 L N 0.891 122.029 121.223 -0.141 0.000 2.017 138 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 138 L C 2.336 179.159 176.870 -0.078 0.000 1.073 138 L CA 2.216 56.954 54.840 -0.170 0.000 0.745 138 L CB -1.422 40.477 42.059 -0.268 0.000 0.894 138 L HN 0.334 nan 8.230 nan 0.000 0.432 139 G N -1.197 107.616 108.800 0.021 0.000 2.418 139 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 139 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 139 G C 1.515 176.379 174.900 -0.059 0.000 1.158 139 G CA 0.592 45.825 45.100 0.222 0.000 0.771 139 G HN 0.599 nan 8.290 nan 0.000 0.545 140 G N 0.709 109.213 108.800 -0.494 0.000 2.422 140 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 140 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 140 G C 1.795 176.531 174.900 -0.273 0.000 1.146 140 G CA 0.646 45.235 45.100 -0.851 0.000 0.769 140 G HN 0.426 nan 8.290 nan 0.000 0.547 141 L N -0.226 120.941 121.223 -0.094 0.000 2.093 141 L HA 0.068 4.408 4.340 -0.000 0.000 0.208 141 L C 2.847 179.741 176.870 0.040 0.000 1.085 141 L CA 0.389 55.253 54.840 0.039 0.000 0.755 141 L CB -0.307 41.806 42.059 0.089 0.000 0.904 141 L HN 0.176 nan 8.230 nan 0.000 0.435 142 L N -0.526 120.697 121.223 0.000 0.000 2.056 142 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 142 L C 2.847 179.839 176.870 0.204 0.000 1.078 142 L CA 1.555 56.385 54.840 -0.016 0.000 0.749 142 L CB -0.502 41.408 42.059 -0.248 0.000 0.901 142 L HN 0.380 nan 8.230 nan 0.000 0.433 143 S N -0.282 115.585 115.700 0.278 0.000 2.428 143 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 143 S C 2.108 176.771 174.600 0.105 0.000 1.014 143 S CA 0.615 59.020 58.200 0.341 0.000 0.957 143 S CB -0.253 63.170 63.200 0.371 0.000 0.784 143 S HN 0.320 nan 8.310 nan 0.000 0.499 144 A N 0.951 123.716 122.820 -0.093 0.000 1.930 144 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 144 A C 2.017 179.379 177.584 -0.369 0.000 1.175 144 A CA 1.340 53.120 52.037 -0.429 0.000 0.627 144 A CB -1.150 17.317 19.000 -0.888 0.000 0.815 144 A HN 0.698 nan 8.150 nan 0.000 0.443 145 Y N -0.250 119.963 120.300 -0.145 0.000 2.163 145 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 145 Y C 2.362 178.334 175.900 0.121 0.000 1.136 145 Y CA 2.248 60.397 58.100 0.081 0.000 1.147 145 Y CB -0.691 37.829 38.460 0.099 0.000 0.987 145 Y HN 0.588 nan 8.280 nan 0.000 0.509 146 H N 0.144 119.247 119.070 0.056 0.000 2.290 146 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 146 H C 2.079 177.342 175.328 -0.110 0.000 1.087 146 H CA 2.085 58.136 56.048 0.005 0.000 1.291 146 H CB -0.276 29.585 29.762 0.166 0.000 1.369 146 H HN 0.427 nan 8.280 nan 0.000 0.492 147 L N 0.008 121.065 121.223 -0.277 0.000 2.083 147 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 147 L C 3.002 179.740 176.870 -0.220 0.000 1.083 147 L CA 1.092 55.735 54.840 -0.328 0.000 0.752 147 L CB -0.501 41.437 42.059 -0.202 0.000 0.899 147 L HN 0.292 nan 8.230 nan 0.000 0.433 148 S N -0.092 115.493 115.700 -0.191 0.000 2.382 148 S HA -0.243 4.227 4.470 -0.000 0.000 0.228 148 S C 1.667 176.186 174.600 -0.136 0.000 1.027 148 S CA 1.908 60.044 58.200 -0.107 0.000 0.991 148 S CB -0.142 63.063 63.200 0.008 0.000 0.823 148 S HN 0.513 nan 8.310 nan 0.000 0.469 149 D N 0.275 120.523 120.400 -0.254 0.000 2.084 149 D HA -0.073 4.567 4.640 -0.000 0.000 0.196 149 D C 1.913 178.133 176.300 -0.133 0.000 0.985 149 D CA 1.467 55.328 54.000 -0.233 0.000 0.826 149 D CB -0.601 39.972 40.800 -0.380 0.000 0.978 149 D HN 0.255 nan 8.370 nan 0.000 0.456 150 V N -0.030 119.785 119.914 -0.166 0.000 2.871 150 V HA 0.033 4.153 4.120 -0.000 0.000 0.256 150 V C 1.841 177.872 176.094 -0.106 0.000 1.082 150 V CA 0.982 63.202 62.300 -0.132 0.000 1.105 150 V CB -0.207 31.492 31.823 -0.208 0.000 0.713 150 V HN 0.297 nan 8.190 nan 0.000 0.473 151 L N -0.625 120.537 121.223 -0.102 0.000 2.590 151 L HA 0.328 4.668 4.340 -0.000 0.000 0.227 151 L C 0.842 177.723 176.870 0.019 0.000 1.099 151 L CA 0.264 55.084 54.840 -0.034 0.000 0.872 151 L CB -0.224 41.829 42.059 -0.010 0.000 1.088 151 L HN 0.307 nan 8.230 nan 0.000 0.479 152 E N 0.533 120.728 120.200 -0.009 0.000 2.271 152 E HA -0.196 4.154 4.350 -0.000 0.000 0.223 152 E C -0.510 176.114 176.600 0.041 0.000 1.223 152 E CA 0.188 56.595 56.400 0.012 0.000 0.704 152 E CB -1.281 28.430 29.700 0.019 0.000 1.194 152 E HN 0.170 nan 8.360 nan 0.000 0.375 153 V N -0.238 119.690 119.914 0.024 0.000 2.686 153 V HA 0.750 4.870 4.120 -0.000 0.000 0.306 153 V C 0.413 176.507 176.094 -0.000 0.000 1.065 153 V CA 0.857 63.149 62.300 -0.014 0.000 0.894 153 V CB 1.549 33.322 31.823 -0.084 0.000 1.004 153 V HN 0.789 nan 8.190 nan 0.000 0.424 154 G N 5.083 113.887 108.800 0.007 0.000 2.725 154 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 154 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 154 G C -0.480 174.476 174.900 0.092 0.000 1.357 154 G CA 0.124 45.269 45.100 0.075 0.000 0.866 154 G HN 1.318 nan 8.290 nan 0.000 0.548 155 N N 0.861 119.620 118.700 0.099 0.000 2.621 155 N HA 0.229 4.969 4.740 -0.000 0.000 0.237 155 N C 1.664 177.222 175.510 0.080 0.000 0.997 155 N CA 0.179 53.262 53.050 0.055 0.000 0.918 155 N CB 0.944 39.435 38.487 0.006 0.000 1.122 155 N HN 0.831 nan 8.380 nan 0.000 0.510 156 K N 0.899 121.396 120.400 0.163 0.000 2.160 156 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 156 K C 0.999 177.810 176.600 0.352 0.000 1.047 156 K CA 1.582 58.045 56.287 0.293 0.000 0.930 156 K CB -0.318 32.176 32.500 -0.010 0.000 0.720 156 K HN 0.199 nan 8.250 nan 0.000 0.450 157 T N 1.324 115.988 114.554 0.184 0.000 2.759 157 T HA -0.100 4.249 4.350 -0.000 0.000 0.269 157 T C 2.006 176.725 174.700 0.032 0.000 1.042 157 T CA 1.400 63.575 62.100 0.125 0.000 1.140 157 T CB -0.280 68.626 68.868 0.064 0.000 0.864 157 T HN 0.092 nan 8.240 nan 0.000 0.455 158 V N 0.475 120.329 119.914 -0.101 0.000 2.287 158 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 158 V C 2.050 178.030 176.094 -0.189 0.000 1.053 158 V CA 1.707 63.870 62.300 -0.228 0.000 1.027 158 V CB -0.785 30.771 31.823 -0.445 0.000 0.646 158 V HN 0.597 nan 8.190 nan 0.000 0.447 159 Y N -1.111 119.267 120.300 0.129 0.000 2.200 159 Y HA -0.142 4.407 4.550 -0.000 0.000 0.290 159 Y C 2.429 178.366 175.900 0.060 0.000 1.137 159 Y CA 1.098 59.272 58.100 0.123 0.000 1.163 159 Y CB -0.377 38.184 38.460 0.168 0.000 0.988 159 Y HN 0.118 nan 8.280 nan 0.000 0.518 160 L N 1.077 122.414 121.223 0.190 0.000 2.046 160 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 160 L C 1.377 178.210 176.870 -0.062 0.000 1.077 160 L CA 2.072 56.865 54.840 -0.078 0.000 0.747 160 L CB -1.004 40.914 42.059 -0.235 0.000 0.896 160 L HN 0.384 nan 8.230 nan 0.000 0.432 161 N N -0.223 118.472 118.700 -0.008 0.000 2.120 161 N HA -0.259 4.481 4.740 -0.000 0.000 0.188 161 N C 1.759 177.282 175.510 0.020 0.000 1.024 161 N CA 1.253 54.301 53.050 -0.004 0.000 0.852 161 N CB 0.043 38.531 38.487 0.001 0.000 1.003 161 N HN 0.238 nan 8.380 nan 0.000 0.424 162 K N 1.261 121.692 120.400 0.051 0.000 2.097 162 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 162 K C 1.898 178.542 176.600 0.073 0.000 1.050 162 K CA 1.059 57.414 56.287 0.114 0.000 0.938 162 K CB -0.112 32.495 32.500 0.177 0.000 0.718 162 K HN 0.109 nan 8.250 nan 0.000 0.442 163 A N 0.698 123.520 122.820 0.005 0.000 1.933 163 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 163 A C 2.123 179.617 177.584 -0.149 0.000 1.175 163 A CA 1.468 53.442 52.037 -0.106 0.000 0.628 163 A CB -0.604 18.295 19.000 -0.170 0.000 0.814 163 A HN 0.338 nan 8.150 nan 0.000 0.444 164 I N -0.284 120.226 120.570 -0.101 0.000 2.252 164 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 164 I C 2.409 178.540 176.117 0.024 0.000 1.102 164 I CA 1.806 63.074 61.300 -0.054 0.000 1.385 164 I CB -0.368 37.628 38.000 -0.007 0.000 1.064 164 I HN 0.484 nan 8.210 nan 0.000 0.414 165 D N 1.123 121.545 120.400 0.038 0.000 2.117 165 D HA -0.201 4.438 4.640 -0.000 0.000 0.198 165 D C 2.230 178.563 176.300 0.055 0.000 0.982 165 D CA 1.263 55.308 54.000 0.075 0.000 0.828 165 D CB 0.173 41.035 40.800 0.105 0.000 0.967 165 D HN 0.188 nan 8.370 nan 0.000 0.464 166 L N 1.043 122.250 121.223 -0.027 0.000 2.056 166 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 166 L C 2.449 179.267 176.870 -0.087 0.000 1.078 166 L CA 2.288 57.018 54.840 -0.183 0.000 0.749 166 L CB -1.030 40.723 42.059 -0.509 0.000 0.901 166 L HN 0.097 nan 8.230 nan 0.000 0.433 167 G N -1.029 107.715 108.800 -0.094 0.000 2.442 167 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 167 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 167 G C 1.280 176.370 174.900 0.318 0.000 1.141 167 G CA 0.939 46.027 45.100 -0.021 0.000 0.763 167 G HN 0.429 nan 8.290 nan 0.000 0.554 168 D N 0.351 120.910 120.400 0.264 0.000 2.144 168 D HA -0.024 4.616 4.640 -0.000 0.000 0.200 168 D C 2.735 179.156 176.300 0.203 0.000 0.978 168 D CA 0.513 54.692 54.000 0.297 0.000 0.833 168 D CB -0.164 40.762 40.800 0.209 0.000 0.961 168 D HN 0.284 nan 8.370 nan 0.000 0.470 169 R N -0.096 120.488 120.500 0.141 0.000 2.075 169 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 169 R C 2.029 178.394 176.300 0.109 0.000 1.126 169 R CA 0.513 56.674 56.100 0.103 0.000 0.963 169 R CB -0.171 30.178 30.300 0.082 0.000 0.858 169 R HN 0.101 nan 8.270 nan 0.000 0.435 170 L N 0.443 121.759 121.223 0.155 0.000 2.109 170 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 170 L C 2.340 179.290 176.870 0.133 0.000 1.086 170 L CA 1.561 56.510 54.840 0.180 0.000 0.760 170 L CB -1.012 41.240 42.059 0.323 0.000 0.910 170 L HN 0.145 nan 8.230 nan 0.000 0.437 171 A N -0.865 122.124 122.820 0.281 0.000 2.076 171 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 171 A C 2.260 179.911 177.584 0.111 0.000 1.160 171 A CA 1.282 53.458 52.037 0.233 0.000 0.653 171 A CB -0.736 18.510 19.000 0.410 0.000 0.801 171 A HN 0.426 nan 8.150 nan 0.000 0.455 172 L N -1.000 120.256 121.223 0.056 0.000 2.265 172 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 172 L C 2.923 179.747 176.870 -0.077 0.000 1.117 172 L CA 0.677 55.524 54.840 0.012 0.000 0.782 172 L CB -0.460 41.611 42.059 0.020 0.000 0.914 172 L HN 0.455 nan 8.230 nan 0.000 0.441 173 A N -0.041 122.653 122.820 -0.209 0.000 2.019 173 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 173 A C 1.880 179.220 177.584 -0.406 0.000 1.164 173 A CA 1.258 53.095 52.037 -0.334 0.000 0.644 173 A CB -0.729 18.000 19.000 -0.453 0.000 0.805 173 A HN 0.412 nan 8.150 nan 0.000 0.449 174 F N -0.387 119.485 119.950 -0.129 0.000 2.748 174 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 174 F C 1.384 177.092 175.800 -0.154 0.000 1.154 174 F CA 0.337 58.239 58.000 -0.163 0.000 1.446 174 F CB -0.056 38.844 39.000 -0.168 0.000 1.112 174 F HN 0.093 nan 8.300 nan 0.000 0.584 175 L N -0.570 120.651 121.223 -0.005 0.000 2.607 175 L HA 0.047 4.386 4.340 -0.000 0.000 0.228 175 L C 2.236 179.052 176.870 -0.090 0.000 1.123 175 L CA 0.312 55.135 54.840 -0.029 0.000 0.890 175 L CB -0.478 41.575 42.059 -0.010 0.000 1.103 175 L HN 0.160 nan 8.230 nan 0.000 0.468 176 S N -1.674 113.913 115.700 -0.187 0.000 2.377 176 S HA 0.012 4.482 4.470 -0.000 0.000 0.223 176 S C 1.036 175.456 174.600 -0.299 0.000 1.030 176 S CA 0.357 58.387 58.200 -0.283 0.000 0.970 176 S CB -0.121 62.733 63.200 -0.576 0.000 0.830 176 S HN 0.274 nan 8.310 nan 0.000 0.473 177 T N 1.820 116.182 114.554 -0.320 0.000 2.940 177 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 177 T C 0.963 175.590 174.700 -0.122 0.000 1.045 177 T CA -0.484 61.487 62.100 -0.215 0.000 1.018 177 T CB 1.850 70.561 68.868 -0.261 0.000 1.151 177 T HN 0.474 nan 8.240 nan 0.000 0.529 178 Q N 0.193 119.945 119.800 -0.080 0.000 2.187 178 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 178 Q C 1.895 177.856 176.000 -0.066 0.000 0.957 178 Q CA 1.596 57.365 55.803 -0.057 0.000 0.857 178 Q CB -0.744 27.973 28.738 -0.036 0.000 0.929 178 Q HN 0.788 nan 8.270 nan 0.000 0.453 179 T N -3.138 111.363 114.554 -0.088 0.000 2.951 179 T HA 0.197 4.546 4.350 -0.000 0.000 0.268 179 T C 1.602 176.231 174.700 -0.119 0.000 1.073 179 T CA 0.916 62.954 62.100 -0.103 0.000 1.134 179 T CB -0.052 68.737 68.868 -0.130 0.000 0.884 179 T HN 0.656 nan 8.240 nan 0.000 0.479 180 G N 1.190 109.918 108.800 -0.121 0.000 2.194 180 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.236 180 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.236 180 G C 0.059 174.907 174.900 -0.086 0.000 0.987 180 G CA -0.067 44.981 45.100 -0.086 0.000 0.635 180 G HN 0.650 nan 8.290 nan 0.000 0.520 181 I N 3.947 124.381 120.570 -0.228 0.000 2.396 181 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 181 I C -1.345 174.554 176.117 -0.363 0.000 1.056 181 I CA -1.906 59.145 61.300 -0.414 0.000 1.365 181 I CB 1.071 38.649 38.000 -0.703 0.000 1.407 181 I HN -0.009 nan 8.210 nan 0.000 0.509 182 P HA 0.103 nan 4.420 nan 0.000 0.277 182 P C -1.094 176.108 177.300 -0.163 0.000 1.240 182 P CA -0.215 62.703 63.100 -0.304 0.000 0.798 182 P CB 0.655 32.141 31.700 -0.356 0.000 0.979 183 Y N -0.020 120.222 120.300 -0.097 0.000 2.330 183 Y HA 0.033 4.582 4.550 -0.000 0.000 0.341 183 Y C 2.403 178.296 175.900 -0.012 0.000 1.278 183 Y CA -0.309 57.765 58.100 -0.045 0.000 1.453 183 Y CB -0.504 37.939 38.460 -0.028 0.000 1.342 183 Y HN 0.357 nan 8.280 nan 0.000 0.590 184 S N -0.131 115.692 115.700 0.205 0.000 2.383 184 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 184 S C 0.304 174.987 174.600 0.139 0.000 1.030 184 S CA 1.387 59.681 58.200 0.157 0.000 1.002 184 S CB -0.228 63.053 63.200 0.134 0.000 0.829 184 S HN 0.583 nan 8.310 nan 0.000 0.467 185 S N -0.297 115.479 115.700 0.126 0.000 2.634 185 S HA 0.780 5.250 4.470 -0.000 0.000 0.296 185 S C -0.661 173.995 174.600 0.093 0.000 1.104 185 S CA -0.781 57.482 58.200 0.106 0.000 0.920 185 S CB 2.257 65.511 63.200 0.090 0.000 1.111 185 S HN 0.325 nan 8.310 nan 0.000 0.493 186 I N 1.319 121.938 120.570 0.081 0.000 2.802 186 I HA 0.393 4.563 4.170 -0.000 0.000 0.298 186 I C -1.535 174.630 176.117 0.080 0.000 1.176 186 I CA -0.666 60.676 61.300 0.069 0.000 1.025 186 I CB 2.023 40.047 38.000 0.039 0.000 1.243 186 I HN 0.650 nan 8.210 nan 0.000 0.424 187 N N 6.642 125.391 118.700 0.081 0.000 2.422 187 N HA 0.232 4.972 4.740 -0.000 0.000 0.264 187 N C 0.602 176.178 175.510 0.109 0.000 1.063 187 N CA -0.095 53.014 53.050 0.098 0.000 0.959 187 N CB 1.351 39.898 38.487 0.101 0.000 1.087 187 N HN 0.703 nan 8.380 nan 0.000 0.483 188 L N 2.506 123.810 121.223 0.135 0.000 2.265 188 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 188 L C 2.161 179.128 176.870 0.162 0.000 1.117 188 L CA 0.811 55.740 54.840 0.150 0.000 0.782 188 L CB -0.461 41.716 42.059 0.197 0.000 0.914 188 L HN 0.678 nan 8.230 nan 0.000 0.441 189 H N -0.459 118.658 119.070 0.078 0.000 2.388 189 H HA -0.042 4.514 4.556 -0.000 0.000 0.304 189 H C 2.298 177.658 175.328 0.054 0.000 1.049 189 H CA 1.562 57.650 56.048 0.065 0.000 1.371 189 H CB 0.439 30.234 29.762 0.055 0.000 1.436 189 H HN 0.311 nan 8.280 nan 0.000 0.544 190 S N -0.839 114.875 115.700 0.025 0.000 2.439 190 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 190 S C 1.736 176.321 174.600 -0.024 0.000 1.029 190 S CA 0.854 59.032 58.200 -0.036 0.000 0.946 190 S CB 0.140 63.400 63.200 0.101 0.000 0.797 190 S HN 0.724 nan 8.310 nan 0.000 0.504 191 G N -0.231 108.580 108.800 0.017 0.000 2.157 191 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.248 191 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.248 191 G C 0.142 175.060 174.900 0.029 0.000 0.979 191 G CA 0.347 45.459 45.100 0.019 0.000 0.650 191 G HN 1.229 nan 8.290 nan 0.000 0.529 192 Q N -0.421 119.407 119.800 0.046 0.000 2.296 192 Q HA 0.853 5.193 4.340 -0.000 0.000 0.262 192 Q C 0.474 176.517 176.000 0.073 0.000 0.981 192 Q CA 0.874 56.712 55.803 0.057 0.000 0.905 192 Q CB 0.954 29.729 28.738 0.061 0.000 1.186 192 Q HN 2.193 nan 8.270 nan 0.000 0.399 193 A N 1.643 124.521 122.820 0.097 0.000 2.302 193 A HA 0.765 5.085 4.320 -0.000 0.000 0.285 193 A C -0.206 177.502 177.584 0.206 0.000 1.105 193 A CA -0.162 51.968 52.037 0.156 0.000 0.816 193 A CB 1.381 20.480 19.000 0.165 0.000 1.067 193 A HN 1.839 nan 8.150 nan 0.000 0.489 194 V N 2.751 122.773 119.914 0.181 0.000 2.668 194 V HA 0.387 4.506 4.120 -0.000 0.000 0.304 194 V C -0.281 175.798 176.094 -0.024 0.000 1.071 194 V CA -0.871 61.455 62.300 0.044 0.000 0.894 194 V CB 1.651 33.490 31.823 0.027 0.000 1.008 194 V HN 1.014 nan 8.190 nan 0.000 0.425 195 K N 4.093 124.305 120.400 -0.314 0.000 2.234 195 K HA 0.123 4.443 4.320 -0.000 0.000 0.251 195 K C 0.421 176.960 176.600 -0.102 0.000 1.011 195 K CA -0.109 55.980 56.287 -0.330 0.000 0.889 195 K CB 0.356 32.524 32.500 -0.553 0.000 1.011 195 K HN 0.851 nan 8.250 nan 0.000 0.505 196 N N 0.122 118.796 118.700 -0.043 0.000 2.454 196 N HA -0.113 4.627 4.740 -0.000 0.000 0.260 196 N C 1.579 177.066 175.510 -0.037 0.000 1.218 196 N CA 0.250 53.296 53.050 -0.006 0.000 0.904 196 N CB 0.515 39.009 38.487 0.012 0.000 1.065 196 N HN 0.635 nan 8.380 nan 0.000 0.462 197 H N 2.311 121.369 119.070 -0.020 0.000 2.290 197 H HA 0.059 4.615 4.556 -0.000 0.000 0.298 197 H C 1.188 176.493 175.328 -0.038 0.000 1.087 197 H CA 1.704 57.736 56.048 -0.027 0.000 1.291 197 H CB -0.311 29.445 29.762 -0.010 0.000 1.369 197 H HN 0.816 nan 8.280 nan 0.000 0.492 198 A N -1.023 121.769 122.820 -0.046 0.000 2.580 198 A HA 0.477 4.797 4.320 -0.000 0.000 0.275 198 A C 0.364 177.858 177.584 -0.150 0.000 1.321 198 A CA 0.351 52.343 52.037 -0.075 0.000 0.924 198 A CB 0.410 19.372 19.000 -0.063 0.000 1.512 198 A HN 0.629 nan 8.150 nan 0.000 0.492 199 D N -1.550 118.717 120.400 -0.221 0.000 2.800 199 D HA -0.174 4.466 4.640 -0.000 0.000 0.232 199 D C 0.873 177.037 176.300 -0.227 0.000 1.137 199 D CA 1.850 55.605 54.000 -0.408 0.000 0.718 199 D CB -1.760 38.491 40.800 -0.915 0.000 1.084 199 D HN 1.974 nan 8.370 nan 0.000 0.432 200 G N -0.824 107.944 108.800 -0.053 0.000 2.187 200 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.261 200 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.261 200 G C 1.212 176.228 174.900 0.194 0.000 1.000 200 G CA 1.193 46.360 45.100 0.112 0.000 0.718 200 G HN 1.633 nan 8.290 nan 0.000 0.519 201 G N -2.071 106.750 108.800 0.036 0.000 2.157 201 G HA2 0.188 4.148 3.960 -0.000 0.000 0.248 201 G HA3 0.188 4.148 3.960 -0.000 0.000 0.248 201 G C 0.805 175.725 174.900 0.034 0.000 0.979 201 G CA 1.128 46.246 45.100 0.030 0.000 0.650 201 G HN 2.278 nan 8.290 nan 0.000 0.529 202 A N -0.068 122.666 122.820 -0.144 0.000 2.332 202 A HA 0.772 5.091 4.320 -0.000 0.000 0.258 202 A C 0.811 178.368 177.584 -0.044 0.000 1.087 202 A CA 0.907 52.745 52.037 -0.331 0.000 0.802 202 A CB 0.610 19.061 19.000 -0.915 0.000 1.042 202 A HN 0.976 nan 8.150 nan 0.000 0.489 203 S N 0.107 115.851 115.700 0.073 0.000 2.654 203 S HA 0.458 4.928 4.470 -0.000 0.000 0.283 203 S C 0.269 175.042 174.600 0.288 0.000 1.180 203 S CA -0.500 57.823 58.200 0.204 0.000 1.021 203 S CB 1.231 64.562 63.200 0.219 0.000 1.018 203 S HN 0.702 nan 8.310 nan 0.000 0.532 204 S N 2.002 117.814 115.700 0.186 0.000 2.505 204 S HA 0.105 4.574 4.470 -0.000 0.000 0.276 204 S C 1.418 175.901 174.600 -0.194 0.000 1.274 204 S CA -0.542 57.600 58.200 -0.096 0.000 1.053 204 S CB 0.941 64.023 63.200 -0.196 0.000 0.919 204 S HN 0.753 nan 8.310 nan 0.000 0.490 205 T N 3.528 117.867 114.554 -0.359 0.000 2.665 205 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 205 T C 2.114 176.269 174.700 -0.910 0.000 1.035 205 T CA 1.671 63.367 62.100 -0.674 0.000 1.151 205 T CB -0.399 68.131 68.868 -0.564 0.000 0.862 205 T HN 0.753 nan 8.240 nan 0.000 0.438 206 A N 1.327 123.768 122.820 -0.633 0.000 2.019 206 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 206 A C 2.186 179.387 177.584 -0.638 0.000 1.164 206 A CA 1.398 53.094 52.037 -0.569 0.000 0.644 206 A CB -0.503 18.186 19.000 -0.518 0.000 0.805 206 A HN 0.581 nan 8.150 nan 0.000 0.449 207 E N -0.898 118.928 120.200 -0.623 0.000 2.153 207 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 207 E C 1.220 177.803 176.600 -0.028 0.000 0.988 207 E CA 1.515 57.649 56.400 -0.444 0.000 0.811 207 E CB -0.230 29.348 29.700 -0.204 0.000 0.746 207 E HN 0.959 nan 8.360 nan 0.000 0.466 208 F N -1.186 118.726 119.950 -0.063 0.000 2.653 208 F HA 0.274 4.800 4.527 -0.000 0.000 0.304 208 F C 1.321 177.116 175.800 -0.007 0.000 1.092 208 F CA 0.087 58.096 58.000 0.015 0.000 1.279 208 F CB 0.002 38.999 39.000 -0.006 0.000 1.044 208 F HN -0.214 nan 8.300 nan 0.000 0.564 209 T N -3.576 110.805 114.554 -0.289 0.000 3.182 209 T HA 0.250 4.600 4.350 -0.000 0.000 0.277 209 T C 0.450 175.118 174.700 -0.054 0.000 1.013 209 T CA 0.001 62.018 62.100 -0.138 0.000 0.900 209 T CB -0.270 68.570 68.868 -0.047 0.000 1.098 209 T HN 0.107 nan 8.240 nan 0.000 0.543 210 T N 1.948 116.456 114.554 -0.078 0.000 3.533 210 T HA 0.431 4.781 4.350 -0.000 0.000 0.275 210 T C 0.579 175.348 174.700 0.115 0.000 1.000 210 T CA -0.348 61.546 62.100 -0.344 0.000 1.015 210 T CB -0.086 68.575 68.868 -0.345 0.000 1.153 210 T HN 0.297 nan 8.240 nan 0.000 0.504 211 L N -0.575 120.874 121.223 0.377 0.000 3.039 211 L HA 0.265 4.604 4.340 -0.000 0.000 0.269 211 L C 2.033 179.252 176.870 0.581 0.000 1.169 211 L CA -0.105 55.057 54.840 0.537 0.000 0.986 211 L CB 0.152 42.574 42.059 0.604 0.000 1.377 211 L HN 0.071 nan 8.230 nan 0.000 0.575 212 Q N 0.450 120.544 119.800 0.491 0.000 2.079 212 Q HA -0.126 4.213 4.340 -0.000 0.000 0.200 212 Q C 2.183 178.251 176.000 0.113 0.000 0.974 212 Q CA 1.768 57.724 55.803 0.254 0.000 0.840 212 Q CB -0.177 28.648 28.738 0.146 0.000 0.898 212 Q HN 0.412 nan 8.270 nan 0.000 0.430 213 M N 0.122 119.726 119.600 0.006 0.000 2.117 213 M HA -0.225 4.255 4.480 -0.000 0.000 0.262 213 M C 1.273 177.757 176.300 0.306 0.000 1.065 213 M CA 1.589 56.863 55.300 -0.044 0.000 1.114 213 M CB 0.133 32.502 32.600 -0.385 0.000 1.361 213 M HN 0.092 nan 8.290 nan 0.000 0.408 214 E N -0.176 120.239 120.200 0.358 0.000 2.031 214 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 214 E C 1.596 178.182 176.600 -0.022 0.000 0.994 214 E CA 1.878 58.431 56.400 0.256 0.000 0.800 214 E CB -0.288 29.480 29.700 0.113 0.000 0.752 214 E HN 0.495 nan 8.360 nan 0.000 0.447 215 F N 0.991 121.020 119.950 0.132 0.000 2.325 215 F HA -0.016 4.510 4.527 -0.000 0.000 0.299 215 F C 1.973 177.841 175.800 0.114 0.000 1.090 215 F CA 0.965 59.009 58.000 0.074 0.000 1.392 215 F CB 0.024 39.113 39.000 0.148 0.000 1.053 215 F HN -0.116 nan 8.300 nan 0.000 0.521 216 K N -1.111 119.439 120.400 0.250 0.000 2.103 216 K HA -0.189 4.131 4.320 -0.000 0.000 0.204 216 K C 1.960 178.777 176.600 0.361 0.000 1.052 216 K CA 1.107 57.553 56.287 0.265 0.000 0.945 216 K CB -0.472 31.957 32.500 -0.118 0.000 0.722 216 K HN 0.197 nan 8.250 nan 0.000 0.443 217 Y N 1.740 122.063 120.300 0.040 0.000 2.242 217 Y HA -0.160 4.390 4.550 -0.000 0.000 0.291 217 Y C 1.902 177.771 175.900 -0.052 0.000 1.137 217 Y CA 0.706 58.757 58.100 -0.081 0.000 1.181 217 Y CB -0.396 37.801 38.460 -0.439 0.000 0.989 217 Y HN -0.066 nan 8.280 nan 0.000 0.527 218 L N 0.569 121.676 121.223 -0.193 0.000 2.083 218 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 218 L C 2.402 179.232 176.870 -0.068 0.000 1.083 218 L CA 2.066 56.690 54.840 -0.361 0.000 0.752 218 L CB -1.201 40.506 42.059 -0.586 0.000 0.899 218 L HN 0.201 nan 8.230 nan 0.000 0.433 219 A N -1.426 121.533 122.820 0.232 0.000 1.898 219 A HA -0.274 4.045 4.320 -0.000 0.000 0.216 219 A C 2.288 180.034 177.584 0.269 0.000 1.181 219 A CA 1.668 53.958 52.037 0.421 0.000 0.620 219 A CB -1.158 18.186 19.000 0.574 0.000 0.819 219 A HN 0.612 nan 8.150 nan 0.000 0.442 220 Y N 0.470 120.863 120.300 0.154 0.000 2.181 220 Y HA -0.148 4.401 4.550 -0.000 0.000 0.288 220 Y C 1.887 177.786 175.900 -0.001 0.000 1.146 220 Y CA 1.932 60.095 58.100 0.105 0.000 1.164 220 Y CB -0.179 38.408 38.460 0.213 0.000 0.982 220 Y HN 0.217 nan 8.280 nan 0.000 0.515 221 L N -0.818 120.376 121.223 -0.048 0.000 2.179 221 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 221 L C 2.420 179.178 176.870 -0.187 0.000 1.096 221 L CA 1.641 56.344 54.840 -0.228 0.000 0.779 221 L CB -0.679 41.089 42.059 -0.485 0.000 0.922 221 L HN 0.350 nan 8.230 nan 0.000 0.443 222 T N -4.565 109.932 114.554 -0.094 0.000 3.051 222 T HA 0.193 4.542 4.350 -0.000 0.000 0.255 222 T C 1.550 176.245 174.700 -0.010 0.000 1.085 222 T CA 0.580 62.666 62.100 -0.023 0.000 1.109 222 T CB 0.565 69.499 68.868 0.110 0.000 0.921 222 T HN 0.394 nan 8.240 nan 0.000 0.488 223 G N 1.735 110.529 108.800 -0.011 0.000 2.159 223 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 223 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 223 G C 0.017 174.919 174.900 0.003 0.000 0.977 223 G CA 0.031 45.112 45.100 -0.032 0.000 0.652 223 G HN 0.735 nan 8.290 nan 0.000 0.531 224 N N 0.590 119.331 118.700 0.069 0.000 2.439 224 N HA 0.319 5.059 4.740 -0.000 0.000 0.243 224 N C 1.636 177.174 175.510 0.048 0.000 1.088 224 N CA -0.398 52.661 53.050 0.014 0.000 0.940 224 N CB 0.307 38.761 38.487 -0.055 0.000 1.180 224 N HN 0.472 nan 8.380 nan 0.000 0.505 225 R N 1.237 121.737 120.500 -0.001 0.000 2.189 225 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 225 R C 1.432 177.775 176.300 0.072 0.000 1.092 225 R CA 1.226 57.345 56.100 0.031 0.000 0.989 225 R CB -0.077 30.198 30.300 -0.043 0.000 0.876 225 R HN 0.461 nan 8.270 nan 0.000 0.457 226 T N 0.566 115.083 114.554 -0.061 0.000 2.720 226 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 226 T C 1.397 176.081 174.700 -0.025 0.000 1.037 226 T CA 1.521 63.561 62.100 -0.099 0.000 1.144 226 T CB -0.356 68.377 68.868 -0.226 0.000 0.864 226 T HN 0.345 nan 8.240 nan 0.000 0.444 227 Y N -0.200 120.194 120.300 0.156 0.000 2.128 227 Y HA -0.182 4.368 4.550 -0.001 0.000 0.284 227 Y C 2.589 178.593 175.900 0.173 0.000 1.154 227 Y CA 0.994 59.214 58.100 0.201 0.000 1.149 227 Y CB -0.282 38.403 38.460 0.375 0.000 0.976 227 Y HN 0.295 nan 8.280 nan 0.000 0.505 228 W N 1.918 123.349 121.300 0.220 0.000 2.355 228 W HA -0.184 4.476 4.660 -0.000 0.000 0.309 228 W C 1.648 178.198 176.519 0.052 0.000 1.206 228 W CA 2.134 59.569 57.345 0.150 0.000 1.284 228 W CB -0.397 29.159 29.460 0.160 0.000 1.145 228 W HN 0.254 nan 8.180 nan 0.000 0.502 229 E N 0.447 120.880 120.200 0.389 0.000 2.077 229 E HA -0.236 4.113 4.350 -0.000 0.000 0.193 229 E C 2.319 178.904 176.600 -0.026 0.000 0.989 229 E CA 1.827 58.358 56.400 0.219 0.000 0.800 229 E CB -0.680 29.103 29.700 0.137 0.000 0.746 229 E HN 0.285 nan 8.360 nan 0.000 0.452 230 L N 0.341 121.454 121.223 -0.184 0.000 2.056 230 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 230 L C 2.555 178.895 176.870 -0.882 0.000 1.078 230 L CA 0.607 55.133 54.840 -0.523 0.000 0.749 230 L CB -0.376 41.295 42.059 -0.648 0.000 0.901 230 L HN 0.073 nan 8.230 nan 0.000 0.433 231 V N 0.661 120.117 119.914 -0.763 0.000 2.667 231 V HA -0.211 3.909 4.120 -0.000 0.000 0.252 231 V C 2.440 178.386 176.094 -0.246 0.000 1.065 231 V CA 1.916 63.853 62.300 -0.604 0.000 1.083 231 V CB -0.291 31.378 31.823 -0.257 0.000 0.692 231 V HN 0.668 nan 8.190 nan 0.000 0.468 232 E N -0.204 119.913 120.200 -0.138 0.000 2.299 232 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 232 E C 2.163 178.754 176.600 -0.016 0.000 0.998 232 E CA 0.557 57.008 56.400 0.085 0.000 0.851 232 E CB -0.378 29.429 29.700 0.179 0.000 0.795 232 E HN 0.417 nan 8.360 nan 0.000 0.492 233 R N 1.769 122.189 120.500 -0.133 0.000 2.127 233 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 233 R C 2.386 178.549 176.300 -0.229 0.000 1.134 233 R CA 1.637 57.634 56.100 -0.173 0.000 0.975 233 R CB -0.999 29.210 30.300 -0.152 0.000 0.865 233 R HN 0.320 nan 8.270 nan 0.000 0.447 234 V N -1.452 118.318 119.914 -0.241 0.000 2.594 234 V HA -0.204 3.915 4.120 -0.000 0.000 0.253 234 V C 1.591 177.538 176.094 -0.247 0.000 1.069 234 V CA 1.477 63.639 62.300 -0.229 0.000 1.082 234 V CB -0.942 30.814 31.823 -0.112 0.000 0.680 234 V HN 0.284 nan 8.190 nan 0.000 0.469 235 Y N 1.233 121.403 120.300 -0.217 0.000 2.220 235 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 235 Y C 2.800 178.450 175.900 -0.417 0.000 1.129 235 Y CA 1.971 59.918 58.100 -0.255 0.000 1.161 235 Y CB -0.324 37.875 38.460 -0.436 0.000 0.997 235 Y HN 0.323 nan 8.280 nan 0.000 0.522 236 E N 0.765 120.586 120.200 -0.632 0.000 2.033 236 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 236 E C -0.626 175.964 176.600 -0.017 0.000 1.011 236 E CA 1.883 58.120 56.400 -0.272 0.000 0.815 236 E CB -0.940 28.673 29.700 -0.144 0.000 0.755 236 E HN 0.243 nan 8.360 nan 0.000 0.451 237 P HA -0.172 nan 4.420 nan 0.000 0.217 237 P C 1.796 179.052 177.300 -0.073 0.000 1.150 237 P CA 0.952 64.019 63.100 -0.054 0.000 0.832 237 P CB -0.107 31.535 31.700 -0.096 0.000 0.787 238 L N -1.065 120.118 121.223 -0.066 0.000 2.012 238 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 238 L C 2.718 179.482 176.870 -0.176 0.000 1.073 238 L CA 1.984 56.728 54.840 -0.159 0.000 0.748 238 L CB -1.451 40.594 42.059 -0.023 0.000 0.891 238 L HN -0.170 nan 8.230 nan 0.000 0.431 239 Y N -0.858 119.469 120.300 0.046 0.000 2.243 239 Y HA -0.165 4.385 4.550 -0.000 0.000 0.293 239 Y C 2.622 178.587 175.900 0.109 0.000 1.124 239 Y CA 1.583 59.768 58.100 0.142 0.000 1.159 239 Y CB -0.200 38.438 38.460 0.296 0.000 1.008 239 Y HN 0.098 nan 8.280 nan 0.000 0.527 240 K N 0.437 120.982 120.400 0.242 0.000 2.007 240 K HA -0.096 4.223 4.320 -0.000 0.000 0.206 240 K C 1.511 178.160 176.600 0.082 0.000 1.047 240 K CA 1.532 57.918 56.287 0.164 0.000 0.937 240 K CB -0.214 32.372 32.500 0.143 0.000 0.718 240 K HN 0.127 nan 8.250 nan 0.000 0.438 241 N N 0.522 119.230 118.700 0.013 0.000 2.453 241 N HA -0.089 4.650 4.740 -0.000 0.000 0.183 241 N C 0.321 175.806 175.510 -0.040 0.000 1.041 241 N CA 1.093 54.128 53.050 -0.025 0.000 0.900 241 N CB -0.129 38.316 38.487 -0.071 0.000 0.961 241 N HN 0.330 nan 8.380 nan 0.000 0.443 242 N N -0.311 118.346 118.700 -0.073 0.000 2.184 242 N HA 0.014 4.753 4.740 -0.000 0.000 0.206 242 N C -0.785 174.854 175.510 0.216 0.000 1.151 242 N CA -0.118 52.926 53.050 -0.010 0.000 0.878 242 N CB 0.654 38.898 38.487 -0.406 0.000 1.014 242 N HN -0.077 nan 8.380 nan 0.000 0.512 243 D N 0.239 120.745 120.400 0.177 0.000 2.689 243 D HA -0.170 4.470 4.640 -0.000 0.000 0.237 243 D C 0.792 177.287 176.300 0.325 0.000 1.148 243 D CA 0.024 54.158 54.000 0.224 0.000 0.656 243 D CB -0.832 40.077 40.800 0.182 0.000 1.050 243 D HN 0.134 nan 8.370 nan 0.000 0.426 244 L N 0.413 121.817 121.223 0.302 0.000 2.012 244 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 244 L C 1.985 179.066 176.870 0.352 0.000 1.073 244 L CA 1.852 56.881 54.840 0.314 0.000 0.748 244 L CB -0.502 41.538 42.059 -0.031 0.000 0.891 244 L HN 0.541 nan 8.230 nan 0.000 0.431 245 L N -0.717 120.727 121.223 0.368 0.000 2.005 245 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 245 L C 2.480 179.486 176.870 0.226 0.000 1.072 245 L CA 1.926 56.955 54.840 0.315 0.000 0.744 245 L CB -0.787 41.449 42.059 0.296 0.000 0.895 245 L HN 0.526 nan 8.230 nan 0.000 0.433 246 N N -0.739 118.078 118.700 0.196 0.000 2.062 246 N HA -0.162 4.578 4.740 -0.000 0.000 0.191 246 N C 1.670 177.240 175.510 0.099 0.000 1.042 246 N CA 1.934 55.064 53.050 0.133 0.000 0.845 246 N CB 0.149 38.704 38.487 0.112 0.000 1.024 246 N HN 0.188 nan 8.380 nan 0.000 0.424 247 T N -0.649 113.964 114.554 0.098 0.000 2.812 247 T HA -0.054 4.295 4.350 -0.000 0.000 0.264 247 T C 0.857 175.438 174.700 -0.198 0.000 1.042 247 T CA 1.108 63.170 62.100 -0.063 0.000 1.140 247 T CB -0.228 68.571 68.868 -0.115 0.000 0.870 247 T HN 0.348 nan 8.240 nan 0.000 0.445 248 Y N 0.684 121.018 120.300 0.056 0.000 2.458 248 Y HA 0.265 4.815 4.550 -0.000 0.000 0.256 248 Y C 0.456 176.352 175.900 -0.007 0.000 1.159 248 Y CA -0.868 57.228 58.100 -0.006 0.000 1.261 248 Y CB 0.036 38.495 38.460 -0.001 0.000 1.119 248 Y HN 0.040 nan 8.280 nan 0.000 0.524 249 D N 0.339 120.846 120.400 0.177 0.000 2.751 249 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 249 D C 1.466 177.906 176.300 0.233 0.000 1.149 249 D CA 1.642 55.753 54.000 0.185 0.000 0.682 249 D CB -1.260 39.649 40.800 0.182 0.000 1.068 249 D HN 0.641 nan 8.370 nan 0.000 0.429 250 G N -1.533 107.437 108.800 0.282 0.000 2.162 250 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 250 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 250 G C 0.277 175.394 174.900 0.363 0.000 0.976 250 G CA 0.402 45.707 45.100 0.342 0.000 0.655 250 G HN 0.519 nan 8.290 nan 0.000 0.533 251 L N 1.125 122.503 121.223 0.258 0.000 2.272 251 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 251 L C 0.835 177.646 176.870 -0.098 0.000 1.032 251 L CA -1.249 53.733 54.840 0.236 0.000 0.810 251 L CB 1.736 43.915 42.059 0.200 0.000 1.205 251 L HN 0.172 nan 8.230 nan 0.000 0.422 252 V N 1.965 121.697 119.914 -0.303 0.000 2.439 252 V HA 0.545 4.665 4.120 -0.000 0.000 0.282 252 V C -2.444 173.164 176.094 -0.809 0.000 1.039 252 V CA -2.289 59.505 62.300 -0.842 0.000 0.913 252 V CB 0.898 32.063 31.823 -1.096 0.000 0.983 252 V HN 0.500 nan 8.190 nan 0.000 0.460 253 P HA 0.303 nan 4.420 nan 0.000 0.272 253 P C 1.121 178.057 177.300 -0.606 0.000 1.223 253 P CA -0.270 62.402 63.100 -0.712 0.000 0.784 253 P CB 0.594 31.849 31.700 -0.740 0.000 0.923 254 I N -1.909 118.396 120.570 -0.443 0.000 3.176 254 I HA 0.032 4.202 4.170 -0.000 0.000 0.275 254 I C -0.247 175.453 176.117 -0.695 0.000 1.298 254 I CA 0.832 61.795 61.300 -0.562 0.000 1.445 254 I CB -0.576 37.067 38.000 -0.594 0.000 1.075 254 I HN 0.161 nan 8.210 nan 0.000 0.482 255 Y N 0.643 120.835 120.300 -0.180 0.000 2.409 255 Y HA 0.560 5.110 4.550 -0.000 0.000 0.343 255 Y C -0.188 175.667 175.900 -0.074 0.000 0.973 255 Y CA -0.888 57.119 58.100 -0.155 0.000 1.064 255 Y CB 2.194 40.521 38.460 -0.222 0.000 1.207 255 Y HN -0.165 nan 8.280 nan 0.000 0.452 256 T N 3.914 118.544 114.554 0.126 0.000 2.928 256 T HA 0.382 4.732 4.350 -0.000 0.000 0.296 256 T C -0.946 173.722 174.700 -0.054 0.000 1.000 256 T CA -0.828 61.344 62.100 0.120 0.000 0.989 256 T CB 0.439 69.496 68.868 0.316 0.000 1.005 256 T HN 0.255 nan 8.240 nan 0.000 0.442 257 F N 5.055 125.052 119.950 0.077 0.000 2.506 257 F HA 0.223 4.750 4.527 -0.001 0.000 0.371 257 F C -0.797 174.982 175.800 -0.035 0.000 1.078 257 F CA -1.842 56.176 58.000 0.030 0.000 1.195 257 F CB 0.956 39.966 39.000 0.017 0.000 1.099 257 F HN 0.414 nan 8.300 nan 0.000 0.548 258 P HA -0.179 nan 4.420 nan 0.000 0.218 258 P C 0.649 177.948 177.300 -0.002 0.000 1.149 258 P CA 1.460 64.544 63.100 -0.026 0.000 0.817 258 P CB 0.334 32.067 31.700 0.054 0.000 0.785 259 D N -0.436 120.029 120.400 0.108 0.000 2.224 259 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 259 D C 1.931 178.238 176.300 0.012 0.000 0.965 259 D CA 1.914 55.948 54.000 0.057 0.000 0.852 259 D CB -0.375 40.478 40.800 0.089 0.000 0.947 259 D HN 0.357 nan 8.370 nan 0.000 0.494 260 T N -4.000 110.572 114.554 0.029 0.000 2.990 260 T HA 0.340 4.690 4.350 -0.000 0.000 0.249 260 T C 1.744 176.428 174.700 -0.027 0.000 1.039 260 T CA 0.787 62.887 62.100 -0.001 0.000 1.036 260 T CB 0.848 69.716 68.868 0.001 0.000 0.994 260 T HN 0.149 nan 8.240 nan 0.000 0.489 261 G N 1.780 110.560 108.800 -0.034 0.000 2.162 261 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 261 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 261 G C -0.050 174.753 174.900 -0.163 0.000 0.976 261 G CA 0.256 45.286 45.100 -0.117 0.000 0.655 261 G HN 0.671 nan 8.290 nan 0.000 0.533 262 K N -0.202 120.170 120.400 -0.047 0.000 2.143 262 K HA 0.538 4.858 4.320 -0.000 0.000 0.272 262 K C 0.238 176.878 176.600 0.067 0.000 1.001 262 K CA -0.723 55.526 56.287 -0.062 0.000 0.915 262 K CB 0.876 33.409 32.500 0.055 0.000 1.047 262 K HN 0.138 nan 8.250 nan 0.000 0.458 263 F N 0.581 120.570 119.950 0.065 0.000 2.563 263 F HA 0.077 4.604 4.527 -0.001 0.000 0.363 263 F C 1.523 177.405 175.800 0.135 0.000 1.123 263 F CA -0.290 57.714 58.000 0.008 0.000 1.307 263 F CB 0.605 39.529 39.000 -0.126 0.000 1.115 263 F HN 0.542 nan 8.300 nan 0.000 0.592 264 G N 1.119 110.079 108.800 0.268 0.000 2.412 264 G HA2 0.514 4.474 3.960 -0.000 0.000 0.318 264 G HA3 0.514 4.474 3.960 -0.000 0.000 0.318 264 G C -0.918 174.108 174.900 0.208 0.000 1.146 264 G CA -0.876 44.381 45.100 0.262 0.000 0.882 264 G HN 0.929 nan 8.290 nan 0.000 0.501 265 A N 1.167 124.115 122.820 0.213 0.000 2.540 265 A HA 0.502 4.821 4.320 -0.000 0.000 0.264 265 A C 0.881 178.540 177.584 0.126 0.000 1.080 265 A CA 0.743 52.872 52.037 0.153 0.000 0.776 265 A CB -0.675 18.405 19.000 0.133 0.000 1.011 265 A HN 1.919 nan 8.150 nan 0.000 0.514 266 S N 1.257 117.015 115.700 0.097 0.000 2.636 266 S HA 0.632 5.102 4.470 -0.000 0.000 0.268 266 S C -0.303 174.312 174.600 0.026 0.000 1.159 266 S CA -0.626 57.630 58.200 0.094 0.000 0.815 266 S CB 0.531 63.832 63.200 0.169 0.000 1.130 266 S HN 0.646 nan 8.310 nan 0.000 0.471 267 T N 1.445 116.010 114.554 0.019 0.000 2.918 267 T HA 0.433 4.783 4.350 -0.000 0.000 0.302 267 T C -0.110 174.554 174.700 -0.060 0.000 1.045 267 T CA -0.037 62.063 62.100 -0.001 0.000 1.114 267 T CB -0.160 68.719 68.868 0.018 0.000 0.965 267 T HN 0.485 nan 8.240 nan 0.000 0.540 268 I N 4.238 124.795 120.570 -0.022 0.000 2.328 268 I HA 0.463 4.632 4.170 -0.000 0.000 0.287 268 I C 0.384 176.539 176.117 0.063 0.000 1.012 268 I CA -0.539 60.745 61.300 -0.027 0.000 1.195 268 I CB 0.524 38.526 38.000 0.004 0.000 1.350 268 I HN 0.610 nan 8.210 nan 0.000 0.464 269 R N 4.251 124.798 120.500 0.078 0.000 2.710 269 R HA 0.413 4.753 4.340 -0.000 0.000 0.270 269 R C -1.177 175.276 176.300 0.255 0.000 1.021 269 R CA -0.753 55.456 56.100 0.181 0.000 0.889 269 R CB 0.995 31.361 30.300 0.111 0.000 1.243 269 R HN 0.299 nan 8.270 nan 0.000 0.464 270 F N 0.551 120.563 119.950 0.103 0.000 2.732 270 F HA 0.291 4.818 4.527 -0.000 0.000 0.303 270 F C 1.384 177.291 175.800 0.179 0.000 1.110 270 F CA 0.177 58.279 58.000 0.171 0.000 1.355 270 F CB 1.027 40.072 39.000 0.075 0.000 1.081 270 F HN 0.833 nan 8.300 nan 0.000 0.565 271 G N -0.241 108.696 108.800 0.229 0.000 2.531 271 G HA2 0.203 4.162 3.960 -0.000 0.000 0.253 271 G HA3 0.203 4.162 3.960 -0.000 0.000 0.253 271 G C -0.165 174.759 174.900 0.041 0.000 1.439 271 G CA -0.232 44.953 45.100 0.142 0.000 1.056 271 G HN 0.189 nan 8.290 nan 0.000 0.555 272 S N -1.368 114.336 115.700 0.006 0.000 2.558 272 S HA 0.116 4.585 4.470 -0.000 0.000 0.291 272 S C 0.968 175.480 174.600 -0.147 0.000 1.306 272 S CA 0.982 59.146 58.200 -0.060 0.000 1.056 272 S CB 0.584 63.770 63.200 -0.023 0.000 0.836 272 S HN 0.831 nan 8.310 nan 0.000 0.504 273 R N 0.865 121.221 120.500 -0.240 0.000 3.785 273 R HA -0.177 4.163 4.340 -0.000 0.000 0.476 273 R C 1.117 177.189 176.300 -0.380 0.000 0.905 273 R CA 1.292 57.174 56.100 -0.362 0.000 1.412 273 R CB -2.061 27.984 30.300 -0.425 0.000 2.077 273 R HN 0.878 nan 8.270 nan 0.000 0.504 274 G N 0.496 109.135 108.800 -0.268 0.000 2.906 274 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.200 274 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.200 274 G C 0.783 175.594 174.900 -0.148 0.000 1.101 274 G CA 0.574 45.526 45.100 -0.246 0.000 0.760 274 G HN 0.293 nan 8.290 nan 0.000 0.694 275 D N 2.853 123.231 120.400 -0.036 0.000 2.472 275 D HA -0.312 4.328 4.640 -0.000 0.000 0.194 275 D C 2.241 178.543 176.300 0.004 0.000 1.023 275 D CA 2.763 56.810 54.000 0.078 0.000 0.869 275 D CB -1.327 39.455 40.800 -0.030 0.000 0.997 275 D HN 0.436 nan 8.370 nan 0.000 0.463 276 S N -1.099 114.454 115.700 -0.245 0.000 2.555 276 S HA -0.038 4.432 4.470 -0.000 0.000 0.230 276 S C 1.820 176.305 174.600 -0.192 0.000 0.978 276 S CA 0.424 58.455 58.200 -0.281 0.000 0.934 276 S CB -1.042 61.917 63.200 -0.402 0.000 0.766 276 S HN 0.450 nan 8.310 nan 0.000 0.533 277 F N 2.095 121.835 119.950 -0.350 0.000 2.102 277 F HA -0.082 4.444 4.527 -0.000 0.000 0.298 277 F C 1.905 177.585 175.800 -0.200 0.000 1.105 277 F CA 1.109 58.885 58.000 -0.375 0.000 1.239 277 F CB -0.444 38.163 39.000 -0.656 0.000 0.991 277 F HN 0.129 nan 8.300 nan 0.000 0.474 278 Y N 0.598 120.825 120.300 -0.122 0.000 2.200 278 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 278 Y C 2.642 178.618 175.900 0.126 0.000 1.137 278 Y CA 1.525 59.593 58.100 -0.053 0.000 1.163 278 Y CB -0.918 37.602 38.460 0.100 0.000 0.988 278 Y HN 0.208 nan 8.280 nan 0.000 0.518 279 E N -0.147 120.280 120.200 0.378 0.000 2.049 279 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 279 E C 1.431 178.224 176.600 0.320 0.000 1.007 279 E CA 1.593 58.237 56.400 0.406 0.000 0.809 279 E CB -0.306 29.589 29.700 0.325 0.000 0.749 279 E HN 0.478 nan 8.360 nan 0.000 0.450 280 Y N 0.386 120.667 120.300 -0.031 0.000 2.583 280 Y HA 0.020 4.570 4.550 -0.000 0.000 0.293 280 Y C 1.901 177.733 175.900 -0.114 0.000 1.157 280 Y CA 0.292 58.353 58.100 -0.065 0.000 1.315 280 Y CB -0.084 38.361 38.460 -0.025 0.000 1.021 280 Y HN 0.120 nan 8.280 nan 0.000 0.536 281 L N -1.366 119.866 121.223 0.015 0.000 2.023 281 L HA -0.207 4.132 4.340 -0.000 0.000 0.205 281 L C 2.328 179.199 176.870 0.003 0.000 1.073 281 L CA 0.947 55.794 54.840 0.012 0.000 0.745 281 L CB -0.643 41.428 42.059 0.019 0.000 0.900 281 L HN 0.204 nan 8.230 nan 0.000 0.435 282 L N 0.048 121.172 121.223 -0.165 0.000 2.027 282 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 282 L C 2.454 179.240 176.870 -0.140 0.000 1.074 282 L CA 1.814 56.431 54.840 -0.373 0.000 0.745 282 L CB -0.525 40.947 42.059 -0.980 0.000 0.898 282 L HN 0.062 nan 8.230 nan 0.000 0.433 283 K N -0.811 119.500 120.400 -0.149 0.000 2.209 283 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 283 K C 2.103 178.550 176.600 -0.255 0.000 1.048 283 K CA 1.542 57.710 56.287 -0.198 0.000 0.940 283 K CB -0.150 32.195 32.500 -0.257 0.000 0.729 283 K HN 0.553 nan 8.250 nan 0.000 0.451 284 Q N -0.388 119.265 119.800 -0.246 0.000 2.079 284 Q HA -0.185 4.154 4.340 -0.000 0.000 0.200 284 Q C 1.907 177.817 176.000 -0.151 0.000 0.974 284 Q CA 1.511 57.132 55.803 -0.303 0.000 0.840 284 Q CB -0.165 28.245 28.738 -0.546 0.000 0.898 284 Q HN 0.415 nan 8.270 nan 0.000 0.430 285 Y N 1.092 121.327 120.300 -0.109 0.000 2.128 285 Y HA -0.238 4.311 4.550 -0.000 0.000 0.284 285 Y C 1.796 177.607 175.900 -0.149 0.000 1.154 285 Y CA 1.336 59.419 58.100 -0.028 0.000 1.149 285 Y CB -0.069 38.444 38.460 0.088 0.000 0.976 285 Y HN 0.018 nan 8.280 nan 0.000 0.505 286 L N -0.092 120.932 121.223 -0.333 0.000 2.131 286 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 286 L C 2.407 178.964 176.870 -0.521 0.000 1.092 286 L CA 0.632 55.198 54.840 -0.457 0.000 0.759 286 L CB -0.504 41.419 42.059 -0.227 0.000 0.903 286 L HN 0.406 nan 8.230 nan 0.000 0.435 287 L N -0.145 120.812 121.223 -0.442 0.000 2.145 287 L HA -0.054 4.286 4.340 -0.000 0.000 0.201 287 L C 2.329 178.894 176.870 -0.507 0.000 1.075 287 L CA 2.364 56.944 54.840 -0.433 0.000 0.773 287 L CB -0.639 41.229 42.059 -0.318 0.000 0.936 287 L HN 0.418 nan 8.230 nan 0.000 0.451 288 T N -5.236 109.079 114.554 -0.398 0.000 3.023 288 T HA 0.101 4.450 4.350 -0.000 0.000 0.253 288 T C 0.606 175.237 174.700 -0.115 0.000 1.038 288 T CA 0.514 62.508 62.100 -0.175 0.000 0.962 288 T CB -0.214 68.733 68.868 0.132 0.000 1.018 288 T HN 0.554 nan 8.240 nan 0.000 0.521 289 H N 0.738 119.730 119.070 -0.131 0.000 3.109 289 H HA -0.110 4.446 4.556 -0.000 0.000 0.245 289 H C -0.505 174.906 175.328 0.138 0.000 1.187 289 H CA 0.763 56.717 56.048 -0.157 0.000 1.136 289 H CB -2.276 27.420 29.762 -0.110 0.000 1.243 289 H HN 0.574 nan 8.280 nan 0.000 0.328 290 E N 1.356 121.747 120.200 0.318 0.000 2.104 290 E HA 0.055 4.405 4.350 -0.000 0.000 0.278 290 E C 1.374 178.232 176.600 0.429 0.000 1.127 290 E CA 0.457 57.084 56.400 0.377 0.000 0.897 290 E CB 0.740 30.725 29.700 0.474 0.000 1.043 290 E HN 0.506 nan 8.360 nan 0.000 0.410 291 T N 1.121 115.852 114.554 0.295 0.000 2.849 291 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 291 T C 1.733 176.427 174.700 -0.009 0.000 1.066 291 T CA 0.645 62.828 62.100 0.139 0.000 1.130 291 T CB -0.046 68.853 68.868 0.053 0.000 0.864 291 T HN 0.348 nan 8.240 nan 0.000 0.481 292 L N 0.497 121.639 121.223 -0.135 0.000 2.043 292 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 292 L C 2.243 178.859 176.870 -0.423 0.000 1.075 292 L CA 1.672 56.275 54.840 -0.395 0.000 0.752 292 L CB -0.999 40.628 42.059 -0.720 0.000 0.891 292 L HN 0.349 nan 8.230 nan 0.000 0.432 293 Y N -2.414 117.849 120.300 -0.061 0.000 2.352 293 Y HA -0.244 4.306 4.550 -0.000 0.000 0.292 293 Y C 2.360 178.252 175.900 -0.013 0.000 1.136 293 Y CA 1.745 59.812 58.100 -0.056 0.000 1.227 293 Y CB -0.675 37.764 38.460 -0.036 0.000 0.991 293 Y HN 0.317 nan 8.280 nan 0.000 0.545 294 Y N 1.136 121.402 120.300 -0.056 0.000 2.220 294 Y HA -0.208 4.341 4.550 -0.000 0.000 0.291 294 Y C 1.846 177.715 175.900 -0.053 0.000 1.129 294 Y CA 1.571 59.562 58.100 -0.182 0.000 1.161 294 Y CB -0.302 37.680 38.460 -0.797 0.000 0.997 294 Y HN 0.034 nan 8.280 nan 0.000 0.522 295 D N 0.413 120.803 120.400 -0.016 0.000 2.123 295 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 295 D C 2.263 178.507 176.300 -0.094 0.000 0.992 295 D CA 1.682 55.648 54.000 -0.057 0.000 0.833 295 D CB -0.433 40.327 40.800 -0.068 0.000 0.954 295 D HN 0.410 nan 8.370 nan 0.000 0.455 296 L N -0.293 120.877 121.223 -0.087 0.000 2.056 296 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 296 L C 2.468 179.393 176.870 0.093 0.000 1.078 296 L CA 0.904 55.747 54.840 0.005 0.000 0.749 296 L CB -0.522 41.521 42.059 -0.026 0.000 0.901 296 L HN 0.068 nan 8.230 nan 0.000 0.433 297 Y N 1.348 121.588 120.300 -0.100 0.000 2.128 297 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 297 Y C 2.815 178.625 175.900 -0.149 0.000 1.154 297 Y CA 1.866 59.902 58.100 -0.106 0.000 1.149 297 Y CB -0.291 38.044 38.460 -0.209 0.000 0.976 297 Y HN -0.006 nan 8.280 nan 0.000 0.505 298 R N 1.249 121.496 120.500 -0.423 0.000 2.083 298 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 298 R C 2.056 178.216 176.300 -0.233 0.000 1.137 298 R CA 1.921 57.757 56.100 -0.440 0.000 0.951 298 R CB -0.466 29.638 30.300 -0.327 0.000 0.851 298 R HN 0.190 nan 8.270 nan 0.000 0.434 299 K N 0.024 120.370 120.400 -0.090 0.000 2.032 299 K HA -0.037 4.282 4.320 -0.000 0.000 0.209 299 K C 2.219 178.860 176.600 0.068 0.000 1.048 299 K CA 1.833 58.134 56.287 0.023 0.000 0.927 299 K CB -0.451 32.114 32.500 0.108 0.000 0.712 299 K HN 0.182 nan 8.250 nan 0.000 0.441 300 S N 0.863 116.634 115.700 0.119 0.000 2.383 300 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 300 S C 1.939 176.577 174.600 0.063 0.000 1.026 300 S CA 0.976 59.320 58.200 0.240 0.000 0.981 300 S CB -0.051 63.468 63.200 0.532 0.000 0.818 300 S HN 0.193 nan 8.310 nan 0.000 0.472 301 M N 1.228 120.723 119.600 -0.175 0.000 2.175 301 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 301 M C 1.913 178.100 176.300 -0.189 0.000 1.063 301 M CA 1.220 56.353 55.300 -0.279 0.000 1.119 301 M CB -1.275 31.004 32.600 -0.535 0.000 1.377 301 M HN 0.174 nan 8.290 nan 0.000 0.415 302 E N -0.024 120.093 120.200 -0.138 0.000 2.106 302 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 302 E C 2.191 178.776 176.600 -0.025 0.000 0.984 302 E CA 1.365 57.710 56.400 -0.091 0.000 0.806 302 E CB -0.698 28.964 29.700 -0.063 0.000 0.750 302 E HN 0.566 nan 8.360 nan 0.000 0.458 303 G N 1.595 110.428 108.800 0.054 0.000 2.418 303 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 303 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 303 G C 1.522 176.525 174.900 0.171 0.000 1.158 303 G CA 0.942 46.153 45.100 0.186 0.000 0.771 303 G HN 0.169 nan 8.290 nan 0.000 0.545 304 M N 0.755 120.375 119.600 0.033 0.000 2.117 304 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 304 M C 2.294 178.497 176.300 -0.162 0.000 1.065 304 M CA 1.626 56.856 55.300 -0.116 0.000 1.114 304 M CB -0.512 31.861 32.600 -0.378 0.000 1.361 304 M HN 0.170 nan 8.290 nan 0.000 0.408 305 K N -0.198 120.100 120.400 -0.169 0.000 2.148 305 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 305 K C 2.202 178.717 176.600 -0.141 0.000 1.050 305 K CA 0.904 57.083 56.287 -0.181 0.000 0.942 305 K CB -0.181 32.201 32.500 -0.196 0.000 0.724 305 K HN 0.193 nan 8.250 nan 0.000 0.446 306 K N 0.783 121.102 120.400 -0.134 0.000 2.062 306 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 306 K C 1.429 177.816 176.600 -0.355 0.000 1.051 306 K CA 1.740 57.873 56.287 -0.256 0.000 0.941 306 K CB 0.086 32.389 32.500 -0.329 0.000 0.719 306 K HN 0.298 nan 8.250 nan 0.000 0.440 307 H N -1.159 117.892 119.070 -0.031 0.000 2.729 307 H HA 0.243 4.799 4.556 -0.000 0.000 0.263 307 H C 1.379 176.694 175.328 -0.023 0.000 0.961 307 H CA 0.382 56.424 56.048 -0.011 0.000 1.217 307 H CB 0.583 30.358 29.762 0.021 0.000 1.447 307 H HN -0.007 nan 8.280 nan 0.000 0.496 308 L N -0.183 121.064 121.223 0.039 0.000 2.701 308 L HA 0.217 4.557 4.340 -0.000 0.000 0.238 308 L C -0.283 176.519 176.870 -0.113 0.000 1.106 308 L CA -0.210 54.616 54.840 -0.023 0.000 0.898 308 L CB 0.555 42.571 42.059 -0.071 0.000 1.188 308 L HN 0.089 nan 8.230 nan 0.000 0.508 309 L N 1.167 122.306 121.223 -0.141 0.000 2.371 309 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 309 L C 0.065 176.817 176.870 -0.198 0.000 1.124 309 L CA 0.220 54.962 54.840 -0.164 0.000 0.816 309 L CB 1.072 43.072 42.059 -0.099 0.000 1.129 309 L HN 0.085 nan 8.230 nan 0.000 0.448 310 A N 4.061 126.621 122.820 -0.433 0.000 2.564 310 A HA 0.736 5.056 4.320 -0.000 0.000 0.291 310 A C -1.558 175.502 177.584 -0.873 0.000 1.102 310 A CA -0.672 51.005 52.037 -0.600 0.000 0.660 310 A CB 1.201 19.813 19.000 -0.647 0.000 1.283 310 A HN 0.584 nan 8.150 nan 0.000 0.430 311 Q N 0.373 119.777 119.800 -0.660 0.000 2.375 311 Q HA 0.593 4.933 4.340 -0.000 0.000 0.271 311 Q C -0.140 175.805 176.000 -0.091 0.000 1.074 311 Q CA -0.634 54.832 55.803 -0.562 0.000 0.808 311 Q CB 2.268 30.511 28.738 -0.825 0.000 1.327 311 Q HN 0.991 nan 8.270 nan 0.000 0.441 312 S N 1.238 116.978 115.700 0.067 0.000 2.655 312 S HA 0.579 5.049 4.470 -0.000 0.000 0.265 312 S C -0.492 174.145 174.600 0.062 0.000 1.240 312 S CA -0.652 57.663 58.200 0.191 0.000 0.986 312 S CB 0.932 64.290 63.200 0.263 0.000 0.985 312 S HN 0.377 nan 8.310 nan 0.000 0.562 313 K N 1.192 121.646 120.400 0.089 0.000 2.316 313 K HA 0.527 4.847 4.320 -0.000 0.000 0.251 313 K C -2.215 174.399 176.600 0.024 0.000 0.934 313 K CA -2.163 54.146 56.287 0.037 0.000 0.802 313 K CB 1.899 34.425 32.500 0.043 0.000 1.171 313 K HN 0.397 nan 8.250 nan 0.000 0.426 314 P HA 0.094 nan 4.420 nan 0.000 0.267 314 P C -0.222 177.069 177.300 -0.016 0.000 1.289 314 P CA 0.163 63.255 63.100 -0.013 0.000 0.866 314 P CB 0.637 32.324 31.700 -0.022 0.000 1.309 315 S N -0.195 115.503 115.700 -0.005 0.000 2.593 315 S HA 0.044 4.513 4.470 -0.000 0.000 0.217 315 S C 0.844 175.421 174.600 -0.038 0.000 0.966 315 S CA 0.238 58.436 58.200 -0.003 0.000 0.914 315 S CB -0.707 62.509 63.200 0.027 0.000 0.776 315 S HN 0.094 nan 8.310 nan 0.000 0.523 316 S N 1.051 116.703 115.700 -0.081 0.000 3.682 316 S HA -0.141 4.329 4.470 -0.000 0.000 0.354 316 S C 0.044 174.465 174.600 -0.298 0.000 1.034 316 S CA 0.132 58.206 58.200 -0.210 0.000 1.084 316 S CB -1.817 61.254 63.200 -0.214 0.000 0.903 316 S HN 0.512 nan 8.310 nan 0.000 0.470 317 L N 0.601 121.729 121.223 -0.157 0.000 2.367 317 L HA 0.283 4.622 4.340 -0.000 0.000 0.275 317 L C 0.775 177.503 176.870 -0.238 0.000 1.129 317 L CA -0.259 54.513 54.840 -0.114 0.000 0.839 317 L CB 0.294 42.367 42.059 0.023 0.000 1.133 317 L HN 0.372 nan 8.230 nan 0.000 0.453 318 W N 4.061 125.284 121.300 -0.128 0.000 2.216 318 W HA 0.319 4.978 4.660 -0.000 0.000 0.326 318 W C -0.036 176.315 176.519 -0.281 0.000 1.319 318 W CA 0.123 57.331 57.345 -0.229 0.000 1.213 318 W CB 0.232 29.575 29.460 -0.195 0.000 1.171 318 W HN 0.346 nan 8.180 nan 0.000 0.557 319 Y N 0.442 120.625 120.300 -0.196 0.000 2.597 319 Y HA 0.737 5.287 4.550 -0.000 0.000 0.340 319 Y C -1.223 174.571 175.900 -0.176 0.000 1.097 319 Y CA -2.433 55.448 58.100 -0.365 0.000 1.037 319 Y CB 0.804 38.673 38.460 -0.985 0.000 1.305 319 Y HN 0.246 nan 8.280 nan 0.000 0.463 320 I N 2.914 123.525 120.570 0.069 0.000 2.330 320 I HA 0.599 4.769 4.170 -0.000 0.000 0.289 320 I C 0.579 176.818 176.117 0.202 0.000 1.001 320 I CA -0.564 60.717 61.300 -0.031 0.000 1.193 320 I CB 1.349 39.210 38.000 -0.231 0.000 1.345 320 I HN 0.974 nan 8.210 nan 0.000 0.461 321 G N 5.039 113.961 108.800 0.204 0.000 2.532 321 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 321 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 321 G C -0.661 174.347 174.900 0.181 0.000 1.349 321 G CA -0.405 44.866 45.100 0.286 0.000 1.038 321 G HN 0.601 nan 8.290 nan 0.000 0.518 322 E N -0.621 119.684 120.200 0.174 0.000 2.263 322 E HA 0.493 4.842 4.350 -0.000 0.000 0.264 322 E C -0.699 175.973 176.600 0.120 0.000 0.923 322 E CA -0.869 55.616 56.400 0.141 0.000 0.802 322 E CB 1.948 31.722 29.700 0.123 0.000 1.228 322 E HN 0.103 nan 8.360 nan 0.000 0.417 323 R N 1.993 122.553 120.500 0.101 0.000 2.352 323 R HA 0.159 4.499 4.340 -0.000 0.000 0.304 323 R C -0.038 176.302 176.300 0.068 0.000 1.104 323 R CA -0.119 56.032 56.100 0.085 0.000 0.991 323 R CB 0.632 30.978 30.300 0.078 0.000 1.140 323 R HN 0.684 nan 8.270 nan 0.000 0.540 324 E N 0.779 121.020 120.200 0.069 0.000 2.208 324 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 324 E C 0.025 176.660 176.600 0.058 0.000 0.988 324 E CA 0.804 57.241 56.400 0.062 0.000 0.828 324 E CB 0.481 30.221 29.700 0.066 0.000 0.763 324 E HN 0.237 nan 8.360 nan 0.000 0.478 325 Q N 0.369 120.203 119.800 0.057 0.000 2.773 325 Q HA 0.277 4.617 4.340 -0.000 0.000 0.373 325 Q C 0.078 176.106 176.000 0.047 0.000 0.940 325 Q CA 0.011 55.846 55.803 0.053 0.000 1.015 325 Q CB 0.956 29.724 28.738 0.049 0.000 1.349 325 Q HN 0.276 nan 8.270 nan 0.000 0.413 326 G N 0.390 109.220 108.800 0.050 0.000 2.894 326 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.247 326 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.247 326 G C 0.580 175.492 174.900 0.020 0.000 1.442 326 G CA -0.335 44.786 45.100 0.036 0.000 0.897 326 G HN 0.473 nan 8.290 nan 0.000 0.550 327 L N 0.173 121.382 121.223 -0.024 0.000 2.376 327 L HA -0.030 4.310 4.340 -0.000 0.000 0.219 327 L C 2.730 179.625 176.870 0.042 0.000 1.133 327 L CA 1.210 56.034 54.840 -0.028 0.000 0.816 327 L CB -0.347 41.596 42.059 -0.194 0.000 0.933 327 L HN 0.511 nan 8.230 nan 0.000 0.449 328 Q N 0.114 119.927 119.800 0.022 0.000 2.424 328 Q HA 0.134 4.473 4.340 -0.000 0.000 0.204 328 Q C 1.210 177.235 176.000 0.042 0.000 0.933 328 Q CA 0.468 56.292 55.803 0.035 0.000 0.929 328 Q CB -0.019 28.729 28.738 0.017 0.000 1.037 328 Q HN 0.417 nan 8.270 nan 0.000 0.511 329 G N 0.378 109.205 108.800 0.045 0.000 2.508 329 G HA2 0.363 4.323 3.960 -0.000 0.000 0.278 329 G HA3 0.363 4.323 3.960 -0.000 0.000 0.278 329 G C -0.130 174.805 174.900 0.059 0.000 1.389 329 G CA 0.147 45.276 45.100 0.049 0.000 1.050 329 G HN 0.324 nan 8.290 nan 0.000 0.522 330 Q N -1.470 118.366 119.800 0.060 0.000 2.317 330 Q HA 0.593 4.933 4.340 -0.000 0.000 0.229 330 Q C -0.277 175.772 176.000 0.083 0.000 0.984 330 Q CA -0.649 55.194 55.803 0.067 0.000 0.911 330 Q CB 1.005 29.781 28.738 0.063 0.000 1.217 330 Q HN 0.867 nan 8.270 nan 0.000 0.501 331 L N 1.201 122.480 121.223 0.093 0.000 2.264 331 L HA 0.526 4.865 4.340 -0.000 0.000 0.289 331 L C 0.215 177.170 176.870 0.142 0.000 1.044 331 L CA -0.084 54.825 54.840 0.115 0.000 0.807 331 L CB 1.725 43.850 42.059 0.110 0.000 1.192 331 L HN 0.672 nan 8.230 nan 0.000 0.425 332 S N 6.510 122.299 115.700 0.149 0.000 2.513 332 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 332 S C -1.670 173.057 174.600 0.211 0.000 1.254 332 S CA -1.177 57.117 58.200 0.158 0.000 1.053 332 S CB 0.871 64.148 63.200 0.129 0.000 0.958 332 S HN 0.661 nan 8.310 nan 0.000 0.491 333 P HA 0.047 nan 4.420 nan 0.000 0.253 333 P C -0.031 177.319 177.300 0.084 0.000 1.260 333 P CA -0.013 63.187 63.100 0.166 0.000 0.800 333 P CB 0.070 31.849 31.700 0.132 0.000 1.162 334 K N 1.396 121.858 120.400 0.102 0.000 2.368 334 K HA 0.276 4.596 4.320 -0.000 0.000 0.282 334 K C -0.667 175.990 176.600 0.094 0.000 1.035 334 K CA -0.065 56.249 56.287 0.046 0.000 0.973 334 K CB 0.202 32.722 32.500 0.032 0.000 0.957 334 K HN 0.091 nan 8.250 nan 0.000 0.474 335 M N 4.295 123.930 119.600 0.058 0.000 2.224 335 M HA 0.187 4.667 4.480 -0.000 0.000 0.281 335 M C -1.368 174.968 176.300 0.060 0.000 1.025 335 M CA -0.675 54.700 55.300 0.125 0.000 0.954 335 M CB 1.509 34.283 32.600 0.290 0.000 1.639 335 M HN 0.484 nan 8.290 nan 0.000 0.461 336 D N 2.327 122.779 120.400 0.087 0.000 2.399 336 D HA 0.021 4.660 4.640 -0.000 0.000 0.241 336 D C 0.675 177.036 176.300 0.102 0.000 1.133 336 D CA 0.426 54.473 54.000 0.079 0.000 0.890 336 D CB 0.946 41.804 40.800 0.096 0.000 1.201 336 D HN 0.705 nan 8.370 nan 0.000 0.432 337 H N 1.827 120.904 119.070 0.012 0.000 2.456 337 H HA -0.047 4.509 4.556 -0.000 0.000 0.296 337 H C 1.774 177.171 175.328 0.115 0.000 1.079 337 H CA 1.306 57.377 56.048 0.040 0.000 1.322 337 H CB -0.013 29.752 29.762 0.006 0.000 1.388 337 H HN 0.369 nan 8.280 nan 0.000 0.538 338 L N -0.461 120.841 121.223 0.133 0.000 2.187 338 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 338 L C 2.212 179.216 176.870 0.223 0.000 1.100 338 L CA 0.855 55.769 54.840 0.123 0.000 0.765 338 L CB -0.291 41.825 42.059 0.094 0.000 0.904 338 L HN 0.257 nan 8.230 nan 0.000 0.437 339 V N -1.553 118.491 119.914 0.216 0.000 2.759 339 V HA -0.271 3.849 4.120 -0.000 0.000 0.256 339 V C 2.406 178.605 176.094 0.175 0.000 1.080 339 V CA 1.342 63.821 62.300 0.299 0.000 1.101 339 V CB -0.649 31.297 31.823 0.204 0.000 0.698 339 V HN 0.574 nan 8.190 nan 0.000 0.477 340 c N 1.049 119.673 118.600 0.040 0.000 2.413 340 c HA -0.170 4.400 4.570 -0.000 0.000 0.292 340 c C 2.543 176.630 174.090 -0.005 0.000 1.435 340 c CA 1.042 57.343 56.329 -0.048 0.000 1.791 340 c CB -1.903 40.477 42.510 -0.216 0.000 1.784 340 c HN 0.830 nan 8.230 nan 0.000 0.548 341 F N -1.026 118.894 119.950 -0.050 0.000 2.604 341 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 341 F C 2.011 177.785 175.800 -0.044 0.000 1.131 341 F CA 0.852 58.828 58.000 -0.041 0.000 1.457 341 F CB -0.762 38.237 39.000 -0.002 0.000 1.095 341 F HN 0.013 nan 8.300 nan 0.000 0.574 342 M N 1.694 120.742 119.600 -0.921 0.000 2.279 342 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 342 M C 2.399 178.432 176.300 -0.444 0.000 1.062 342 M CA 1.265 56.063 55.300 -0.837 0.000 1.099 342 M CB -1.947 30.313 32.600 -0.567 0.000 1.394 342 M HN 0.450 nan 8.290 nan 0.000 0.426 343 G N 0.003 108.621 108.800 -0.303 0.000 2.459 343 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 343 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 343 G C 1.557 176.299 174.900 -0.265 0.000 1.183 343 G CA 1.071 46.029 45.100 -0.236 0.000 0.776 343 G HN 0.531 nan 8.290 nan 0.000 0.552 344 G N 0.473 109.111 108.800 -0.269 0.000 2.422 344 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 344 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 344 G C 1.765 176.293 174.900 -0.621 0.000 1.146 344 G CA 0.990 45.820 45.100 -0.449 0.000 0.769 344 G HN 0.388 nan 8.290 nan 0.000 0.547 345 L N 0.307 121.266 121.223 -0.440 0.000 1.994 345 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 345 L C 2.787 179.565 176.870 -0.153 0.000 1.071 345 L CA 1.350 56.016 54.840 -0.290 0.000 0.745 345 L CB -0.394 41.550 42.059 -0.191 0.000 0.892 345 L HN 0.194 nan 8.230 nan 0.000 0.431 346 L N -0.816 120.326 121.223 -0.135 0.000 2.042 346 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 346 L C 2.646 179.524 176.870 0.014 0.000 1.076 346 L CA 1.294 56.113 54.840 -0.034 0.000 0.749 346 L CB -0.872 41.104 42.059 -0.138 0.000 0.893 346 L HN 0.389 nan 8.230 nan 0.000 0.432 347 A N -0.914 121.878 122.820 -0.047 0.000 1.898 347 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 347 A C 2.493 180.204 177.584 0.212 0.000 1.181 347 A CA 1.986 54.104 52.037 0.135 0.000 0.620 347 A CB -0.554 18.456 19.000 0.016 0.000 0.819 347 A HN 0.371 nan 8.150 nan 0.000 0.442 348 S N -0.393 115.314 115.700 0.012 0.000 2.368 348 S HA -0.050 4.419 4.470 -0.000 0.000 0.224 348 S C 2.040 176.701 174.600 0.103 0.000 1.029 348 S CA 1.105 59.323 58.200 0.030 0.000 0.988 348 S CB -0.577 62.509 63.200 -0.191 0.000 0.838 348 S HN 0.757 nan 8.310 nan 0.000 0.462 349 G N 0.289 109.142 108.800 0.089 0.000 2.422 349 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 349 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 349 G C 1.524 176.619 174.900 0.325 0.000 1.140 349 G CA 1.039 46.248 45.100 0.183 0.000 0.775 349 G HN 0.531 nan 8.290 nan 0.000 0.545 350 S N 0.158 116.039 115.700 0.302 0.000 2.395 350 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 350 S C 2.543 177.447 174.600 0.506 0.000 1.027 350 S CA 2.056 60.442 58.200 0.309 0.000 0.965 350 S CB -0.306 63.002 63.200 0.180 0.000 0.812 350 S HN 0.547 nan 8.310 nan 0.000 0.482 351 T N -1.954 112.880 114.554 0.467 0.000 3.037 351 T HA 0.304 4.654 4.350 -0.000 0.000 0.251 351 T C 0.478 175.415 174.700 0.396 0.000 1.079 351 T CA 0.629 63.006 62.100 0.462 0.000 1.067 351 T CB -0.380 68.676 68.868 0.314 0.000 0.948 351 T HN 0.492 nan 8.240 nan 0.000 0.496 352 E N 0.470 120.814 120.200 0.242 0.000 2.883 352 E HA -0.242 4.108 4.350 -0.000 0.000 0.271 352 E C 0.989 177.643 176.600 0.089 0.000 1.049 352 E CA 0.406 56.845 56.400 0.066 0.000 0.817 352 E CB -1.751 27.821 29.700 -0.214 0.000 1.407 352 E HN 0.924 nan 8.360 nan 0.000 0.434 353 G N -0.740 108.158 108.800 0.163 0.000 2.213 353 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.226 353 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.226 353 G C 0.306 175.295 174.900 0.148 0.000 0.992 353 G CA 0.175 45.371 45.100 0.159 0.000 0.632 353 G HN 0.198 nan 8.290 nan 0.000 0.511 354 L N 2.025 123.343 121.223 0.160 0.000 2.417 354 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 354 L C 1.099 178.028 176.870 0.098 0.000 1.158 354 L CA -0.472 54.443 54.840 0.124 0.000 0.819 354 L CB 1.077 43.220 42.059 0.140 0.000 1.112 354 L HN 0.165 nan 8.230 nan 0.000 0.458 355 S N 2.057 117.813 115.700 0.094 0.000 2.560 355 S HA 0.070 4.540 4.470 -0.000 0.000 0.284 355 S C 1.604 176.237 174.600 0.056 0.000 1.327 355 S CA -0.513 57.773 58.200 0.143 0.000 1.055 355 S CB 0.601 63.915 63.200 0.191 0.000 0.868 355 S HN 0.547 nan 8.310 nan 0.000 0.506 356 I N 0.300 120.845 120.570 -0.042 0.000 2.248 356 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 356 I C 1.854 177.762 176.117 -0.348 0.000 1.107 356 I CA 1.696 62.734 61.300 -0.437 0.000 1.373 356 I CB -1.018 36.564 38.000 -0.697 0.000 1.055 356 I HN 0.619 nan 8.210 nan 0.000 0.418 357 H N 0.938 119.870 119.070 -0.231 0.000 2.325 357 H HA -0.230 4.325 4.556 -0.000 0.000 0.293 357 H C 2.271 177.469 175.328 -0.217 0.000 1.106 357 H CA 2.272 58.206 56.048 -0.191 0.000 1.247 357 H CB -0.426 29.270 29.762 -0.109 0.000 1.359 357 H HN 0.591 nan 8.280 nan 0.000 0.488 358 E N -0.161 120.018 120.200 -0.035 0.000 2.190 358 E HA 0.067 4.417 4.350 -0.000 0.000 0.191 358 E C 2.266 178.750 176.600 -0.193 0.000 0.978 358 E CA 0.504 56.848 56.400 -0.094 0.000 0.839 358 E CB 0.038 29.717 29.700 -0.035 0.000 0.787 358 E HN 0.435 nan 8.360 nan 0.000 0.473 359 A N 1.342 124.014 122.820 -0.247 0.000 1.898 359 A HA -0.132 4.187 4.320 -0.000 0.000 0.216 359 A C 2.080 179.222 177.584 -0.736 0.000 1.181 359 A CA 1.165 52.996 52.037 -0.343 0.000 0.620 359 A CB -0.417 18.456 19.000 -0.213 0.000 0.819 359 A HN 0.144 nan 8.150 nan 0.000 0.442 360 R N -0.541 119.342 120.500 -1.029 0.000 2.211 360 R HA -0.101 4.238 4.340 -0.000 0.000 0.240 360 R C 1.679 177.625 176.300 -0.590 0.000 1.144 360 R CA 1.412 56.778 56.100 -1.223 0.000 0.992 360 R CB -0.208 29.571 30.300 -0.868 0.000 0.869 360 R HN 0.489 nan 8.270 nan 0.000 0.462 361 R N -0.074 120.175 120.500 -0.419 0.000 2.334 361 R HA 0.130 4.470 4.340 -0.000 0.000 0.216 361 R C -0.000 176.141 176.300 -0.265 0.000 0.905 361 R CA -0.104 55.836 56.100 -0.267 0.000 1.064 361 R CB 0.414 30.595 30.300 -0.198 0.000 1.046 361 R HN -0.061 nan 8.270 nan 0.000 0.508 362 R N 0.672 120.938 120.500 -0.390 0.000 2.457 362 R HA 0.198 4.538 4.340 -0.000 0.000 0.284 362 R C -1.838 174.198 176.300 -0.441 0.000 1.024 362 R CA -2.640 53.138 56.100 -0.537 0.000 1.025 362 R CB 0.182 29.797 30.300 -1.142 0.000 1.063 362 R HN -0.171 nan 8.270 nan 0.000 0.493 363 P HA -0.090 nan 4.420 nan 0.000 0.218 363 P C 0.847 178.125 177.300 -0.037 0.000 1.149 363 P CA 1.156 64.187 63.100 -0.115 0.000 0.817 363 P CB -0.027 31.654 31.700 -0.032 0.000 0.785 364 F N -3.041 116.945 119.950 0.059 0.000 2.748 364 F HA 0.191 4.718 4.527 -0.000 0.000 0.299 364 F C 0.800 176.675 175.800 0.125 0.000 1.154 364 F CA -0.785 57.240 58.000 0.042 0.000 1.446 364 F CB -1.365 37.620 39.000 -0.026 0.000 1.112 364 F HN -0.245 nan 8.300 nan 0.000 0.584 365 F N 2.447 122.337 119.950 -0.101 0.000 2.543 365 F HA 0.291 4.818 4.527 -0.000 0.000 0.375 365 F C 0.711 176.551 175.800 0.067 0.000 1.075 365 F CA -0.318 57.687 58.000 0.009 0.000 1.225 365 F CB 0.535 39.429 39.000 -0.176 0.000 1.099 365 F HN 0.052 nan 8.300 nan 0.000 0.561 373 S N 0.861 116.464 115.700 -0.161 0.000 2.353 373 S HA -0.153 4.317 4.470 -0.000 0.000 0.222 373 S C 1.141 175.630 174.600 -0.186 0.000 1.035 373 S CA 2.223 60.324 58.200 -0.165 0.000 1.025 373 S CB -0.466 62.635 63.200 -0.164 0.000 0.902 373 S HN 0.416 nan 8.310 nan 0.000 0.440 374 D N 0.389 120.688 120.400 -0.169 0.000 2.117 374 D HA -0.101 4.538 4.640 -0.000 0.000 0.197 374 D C 1.517 177.767 176.300 -0.084 0.000 0.987 374 D CA 0.965 54.885 54.000 -0.135 0.000 0.829 374 D CB -0.508 40.254 40.800 -0.063 0.000 0.961 374 D HN 0.623 nan 8.370 nan 0.000 0.460 375 W N 1.702 122.861 121.300 -0.235 0.000 2.379 375 W HA -0.163 4.497 4.660 -0.000 0.000 0.307 375 W C 1.045 177.513 176.519 -0.086 0.000 1.200 375 W CA 1.086 58.363 57.345 -0.113 0.000 1.297 375 W CB -0.025 29.417 29.460 -0.029 0.000 1.140 375 W HN -0.087 nan 8.180 nan 0.000 0.507 376 D N 0.896 121.247 120.400 -0.081 0.000 2.144 376 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 376 D C 2.042 178.145 176.300 -0.329 0.000 0.984 376 D CA 1.339 55.228 54.000 -0.184 0.000 0.834 376 D CB -0.695 40.043 40.800 -0.104 0.000 0.955 376 D HN 0.157 nan 8.370 nan 0.000 0.465 377 L N 0.622 121.624 121.223 -0.369 0.000 2.156 377 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 377 L C 2.043 178.702 176.870 -0.350 0.000 1.095 377 L CA 1.278 55.847 54.840 -0.450 0.000 0.770 377 L CB -0.739 41.051 42.059 -0.447 0.000 0.914 377 L HN -0.045 nan 8.230 nan 0.000 0.439 378 A N -0.322 122.288 122.820 -0.349 0.000 1.883 378 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 378 A C 2.306 179.681 177.584 -0.347 0.000 1.186 378 A CA 2.016 53.842 52.037 -0.352 0.000 0.624 378 A CB -0.491 18.264 19.000 -0.407 0.000 0.822 378 A HN 0.499 nan 8.150 nan 0.000 0.444 379 K N -0.809 119.327 120.400 -0.440 0.000 2.057 379 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 379 K C 2.155 178.733 176.600 -0.036 0.000 1.049 379 K CA 1.067 57.204 56.287 -0.250 0.000 0.931 379 K CB -0.460 31.880 32.500 -0.267 0.000 0.714 379 K HN 0.470 nan 8.250 nan 0.000 0.440 380 G N 1.798 110.547 108.800 -0.085 0.000 2.433 380 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.216 380 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.216 380 G C 1.527 176.483 174.900 0.094 0.000 1.186 380 G CA 0.650 45.783 45.100 0.056 0.000 0.779 380 G HN 0.134 nan 8.290 nan 0.000 0.543 381 I N 0.862 121.420 120.570 -0.020 0.000 2.394 381 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 381 I C 2.853 178.997 176.117 0.046 0.000 1.136 381 I CA 1.245 62.540 61.300 -0.008 0.000 1.425 381 I CB -0.355 37.579 38.000 -0.110 0.000 1.079 381 I HN 0.106 nan 8.210 nan 0.000 0.425 382 T N -0.306 114.281 114.554 0.055 0.000 2.821 382 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 382 T C 1.512 176.417 174.700 0.341 0.000 1.046 382 T CA 1.699 63.893 62.100 0.158 0.000 1.139 382 T CB -0.284 68.644 68.868 0.101 0.000 0.871 382 T HN 0.396 nan 8.240 nan 0.000 0.454 383 D N 0.772 121.387 120.400 0.358 0.000 2.097 383 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 383 D C 2.171 178.587 176.300 0.193 0.000 0.984 383 D CA 1.345 55.556 54.000 0.352 0.000 0.826 383 D CB -0.263 40.755 40.800 0.362 0.000 0.973 383 D HN 0.189 nan 8.370 nan 0.000 0.460 384 T N -0.859 113.798 114.554 0.172 0.000 2.684 384 T HA -0.200 4.149 4.350 -0.000 0.000 0.267 384 T C 2.168 176.960 174.700 0.153 0.000 1.036 384 T CA 1.430 63.616 62.100 0.144 0.000 1.148 384 T CB -0.709 68.210 68.868 0.085 0.000 0.863 384 T HN 0.313 nan 8.240 nan 0.000 0.436 385 c N 0.428 119.124 118.600 0.160 0.000 2.435 385 c HA -0.011 4.559 4.570 -0.000 0.000 0.279 385 c C 2.410 176.651 174.090 0.252 0.000 1.321 385 c CA -0.007 56.433 56.329 0.184 0.000 1.752 385 c CB -1.304 41.294 42.510 0.147 0.000 1.959 385 c HN 0.672 nan 8.230 nan 0.000 0.500 386 Y N 1.776 122.094 120.300 0.030 0.000 2.242 386 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 386 Y C 2.443 178.302 175.900 -0.067 0.000 1.137 386 Y CA 1.569 59.590 58.100 -0.132 0.000 1.181 386 Y CB -0.645 37.432 38.460 -0.638 0.000 0.989 386 Y HN 0.269 nan 8.280 nan 0.000 0.527 387 Q N 0.008 119.657 119.800 -0.253 0.000 2.291 387 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 387 Q C 2.177 178.166 176.000 -0.017 0.000 0.976 387 Q CA 1.569 57.242 55.803 -0.217 0.000 0.875 387 Q CB -0.370 28.375 28.738 0.013 0.000 0.927 387 Q HN 0.637 nan 8.270 nan 0.000 0.450 388 M N -1.145 118.437 119.600 -0.031 0.000 2.460 388 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 388 M C 0.990 177.236 176.300 -0.089 0.000 1.071 388 M CA 1.138 56.306 55.300 -0.219 0.000 1.096 388 M CB -0.001 32.407 32.600 -0.320 0.000 1.408 388 M HN 0.125 nan 8.290 nan 0.000 0.463 389 Y N -0.739 119.477 120.300 -0.140 0.000 2.314 389 Y HA 0.019 4.569 4.550 -0.000 0.000 0.294 389 Y C 2.402 178.193 175.900 -0.181 0.000 1.139 389 Y CA 0.831 58.847 58.100 -0.140 0.000 1.162 389 Y CB -0.365 38.018 38.460 -0.129 0.000 1.121 389 Y HN -0.038 nan 8.280 nan 0.000 0.529 390 K N 0.889 121.152 120.400 -0.229 0.000 2.063 390 K HA -0.186 4.133 4.320 -0.000 0.000 0.208 390 K C 1.519 178.067 176.600 -0.088 0.000 1.048 390 K CA 1.810 57.923 56.287 -0.290 0.000 0.928 390 K CB -0.220 31.880 32.500 -0.667 0.000 0.713 390 K HN 0.352 nan 8.250 nan 0.000 0.442 391 Q N -0.117 119.685 119.800 0.004 0.000 2.403 391 Q HA 0.080 4.420 4.340 -0.000 0.000 0.203 391 Q C -0.131 175.974 176.000 0.174 0.000 0.932 391 Q CA -0.087 55.753 55.803 0.062 0.000 0.945 391 Q CB 0.533 29.312 28.738 0.068 0.000 1.045 391 Q HN 0.144 nan 8.270 nan 0.000 0.511 392 S N -0.024 115.780 115.700 0.173 0.000 2.565 392 S HA 0.085 4.555 4.470 -0.000 0.000 0.274 392 S C 1.293 175.942 174.600 0.082 0.000 1.309 392 S CA -0.231 58.055 58.200 0.143 0.000 1.043 392 S CB 1.193 64.366 63.200 -0.045 0.000 0.939 392 S HN 0.368 nan 8.310 nan 0.000 0.504 393 S N 3.332 119.066 115.700 0.057 0.000 2.400 393 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 393 S C 1.679 176.263 174.600 -0.027 0.000 1.025 393 S CA 1.391 59.622 58.200 0.051 0.000 0.993 393 S CB -0.736 62.476 63.200 0.020 0.000 0.808 393 S HN 0.955 nan 8.310 nan 0.000 0.478 394 S N -0.120 115.522 115.700 -0.097 0.000 2.535 394 S HA 0.513 4.982 4.470 -0.000 0.000 0.214 394 S C 1.532 176.096 174.600 -0.061 0.000 0.980 394 S CA 0.350 58.500 58.200 -0.085 0.000 0.907 394 S CB -0.170 62.949 63.200 -0.134 0.000 0.790 394 S HN 1.409 nan 8.310 nan 0.000 0.510 395 G N 0.933 109.704 108.800 -0.049 0.000 2.143 395 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 395 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 395 G C -0.200 174.687 174.900 -0.022 0.000 0.981 395 G CA 0.409 45.507 45.100 -0.004 0.000 0.665 395 G HN 0.552 nan 8.290 nan 0.000 0.528 396 L N 0.325 121.434 121.223 -0.190 0.000 2.362 396 L HA 0.769 5.109 4.340 -0.000 0.000 0.275 396 L C 0.671 177.166 176.870 -0.625 0.000 0.998 396 L CA -0.746 53.841 54.840 -0.421 0.000 0.820 396 L CB 2.048 43.871 42.059 -0.393 0.000 1.270 396 L HN 0.261 nan 8.230 nan 0.000 0.415 397 A N 5.344 127.437 122.820 -1.213 0.000 2.401 397 A HA 0.622 4.942 4.320 -0.000 0.000 0.259 397 A C -2.258 174.988 177.584 -0.562 0.000 1.103 397 A CA -1.055 50.472 52.037 -0.851 0.000 0.789 397 A CB -0.178 18.235 19.000 -0.977 0.000 1.035 397 A HN 0.420 nan 8.150 nan 0.000 0.491 398 P HA 0.139 nan 4.420 nan 0.000 0.279 398 P C 0.429 177.533 177.300 -0.326 0.000 1.282 398 P CA -0.156 62.743 63.100 -0.335 0.000 0.788 398 P CB 0.797 32.335 31.700 -0.270 0.000 1.139 399 E N -0.079 119.880 120.200 -0.402 0.000 2.085 399 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 399 E C 0.232 176.737 176.600 -0.157 0.000 0.994 399 E CA 1.553 57.750 56.400 -0.338 0.000 0.801 399 E CB -0.235 29.058 29.700 -0.678 0.000 0.743 399 E HN 0.409 nan 8.360 nan 0.000 0.453 400 I N -0.096 120.363 120.570 -0.185 0.000 2.802 400 I HA 0.308 4.478 4.170 -0.000 0.000 0.298 400 I C -0.978 175.031 176.117 -0.181 0.000 1.176 400 I CA -1.364 59.858 61.300 -0.130 0.000 1.025 400 I CB 2.368 40.309 38.000 -0.099 0.000 1.243 400 I HN -0.114 nan 8.210 nan 0.000 0.424 401 V N 2.541 122.320 119.914 -0.224 0.000 3.102 401 V HA 0.748 4.867 4.120 -0.000 0.000 0.312 401 V C -1.015 174.893 176.094 -0.309 0.000 1.135 401 V CA -0.721 61.402 62.300 -0.295 0.000 1.022 401 V CB 2.216 33.661 31.823 -0.629 0.000 1.056 401 V HN 0.409 nan 8.190 nan 0.000 0.436 402 V N 2.593 122.368 119.914 -0.232 0.000 2.380 402 V HA 0.473 4.592 4.120 -0.000 0.000 0.286 402 V C -0.445 175.625 176.094 -0.039 0.000 1.015 402 V CA -0.229 61.996 62.300 -0.126 0.000 0.834 402 V CB 0.843 32.618 31.823 -0.079 0.000 1.009 402 V HN 0.758 nan 8.190 nan 0.000 0.428 403 F N 2.728 122.632 119.950 -0.077 0.000 2.496 403 F HA 0.192 4.719 4.527 -0.000 0.000 0.344 403 F C 1.183 177.030 175.800 0.078 0.000 1.155 403 F CA 0.188 58.112 58.000 -0.126 0.000 1.302 403 F CB 0.413 38.947 39.000 -0.775 0.000 1.159 403 F HN 0.437 nan 8.300 nan 0.000 0.595 404 N N 2.604 121.513 118.700 0.348 0.000 2.401 404 N HA 0.011 4.751 4.740 -0.000 0.000 0.255 404 N C -0.223 175.451 175.510 0.274 0.000 1.110 404 N CA -0.225 53.050 53.050 0.376 0.000 0.949 404 N CB 0.401 39.049 38.487 0.268 0.000 1.110 404 N HN 0.542 nan 8.380 nan 0.000 0.490 405 D N 2.187 122.736 120.400 0.248 0.000 2.424 405 D HA 0.175 4.815 4.640 -0.000 0.000 0.220 405 D C 1.027 177.409 176.300 0.137 0.000 1.150 405 D CA -0.111 54.014 54.000 0.208 0.000 0.831 405 D CB -0.400 40.537 40.800 0.227 0.000 0.981 405 D HN 0.625 nan 8.370 nan 0.000 0.500 406 G N 0.841 109.722 108.800 0.134 0.000 2.148 406 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 406 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 406 G C 0.124 175.059 174.900 0.059 0.000 0.981 406 G CA 0.120 45.272 45.100 0.086 0.000 0.670 406 G HN 0.435 nan 8.290 nan 0.000 0.528 407 N N -1.034 117.704 118.700 0.063 0.000 2.536 407 N HA 0.477 5.217 4.740 -0.000 0.000 0.286 407 N C 1.083 176.573 175.510 -0.033 0.000 1.577 407 N CA 0.534 53.595 53.050 0.017 0.000 0.883 407 N CB 0.498 39.005 38.487 0.033 0.000 1.390 407 N HN 0.804 nan 8.380 nan 0.000 0.491 408 I N -1.406 119.120 120.570 -0.073 0.000 3.806 408 I HA 0.431 4.601 4.170 -0.000 0.000 0.321 408 I C 1.344 177.248 176.117 -0.355 0.000 1.315 408 I CA 0.033 61.166 61.300 -0.279 0.000 1.148 408 I CB -1.714 35.989 38.000 -0.495 0.000 1.028 408 I HN 0.229 nan 8.210 nan 0.000 0.415 412 G N 0.275 109.065 108.800 -0.017 0.000 3.332 412 G HA2 0.235 4.195 3.960 -0.000 0.000 0.242 412 G HA3 0.235 4.195 3.960 -0.000 0.000 0.242 412 G C -0.274 174.845 174.900 0.365 0.000 1.276 412 G CA -0.214 44.976 45.100 0.150 0.000 0.988 412 G HN 0.025 nan 8.290 nan 0.000 0.517 413 W N -0.614 120.717 121.300 0.052 0.000 2.237 413 W HA 0.512 5.172 4.660 -0.000 0.000 0.335 413 W C -0.033 176.620 176.519 0.223 0.000 1.230 413 W CA -2.349 55.072 57.345 0.126 0.000 1.253 413 W CB 0.441 29.935 29.460 0.056 0.000 1.129 413 W HN 0.137 nan 8.180 nan 0.000 0.590 414 W N 4.312 125.785 121.300 0.289 0.000 2.351 414 W HA 0.442 5.102 4.660 -0.000 0.000 0.311 414 W C 0.074 176.672 176.519 0.132 0.000 1.168 414 W CA -1.016 56.418 57.345 0.149 0.000 1.200 414 W CB 0.593 30.078 29.460 0.042 0.000 1.221 414 W HN 0.219 nan 8.180 nan 0.000 0.519 415 R N 4.641 124.710 120.500 -0.719 0.000 2.368 415 R HA 0.394 4.734 4.340 -0.000 0.000 0.302 415 R C 0.271 175.556 176.300 -1.691 0.000 1.002 415 R CA -0.404 55.130 56.100 -0.943 0.000 0.929 415 R CB 1.015 30.953 30.300 -0.602 0.000 1.073 415 R HN 0.659 nan 8.270 nan 0.000 0.464 416 S N 2.165 116.988 115.700 -1.462 0.000 2.589 416 S HA -0.047 4.422 4.470 -0.000 0.000 0.265 416 S C 1.440 175.534 174.600 -0.845 0.000 1.342 416 S CA -0.071 57.340 58.200 -1.315 0.000 1.005 416 S CB 1.380 63.572 63.200 -1.679 0.000 0.909 416 S HN 0.809 nan 8.310 nan 0.000 0.555 417 S N 1.144 116.546 115.700 -0.497 0.000 2.372 417 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 417 S C 1.574 176.007 174.600 -0.278 0.000 1.044 417 S CA 1.573 59.595 58.200 -0.296 0.000 1.050 417 S CB -1.227 61.892 63.200 -0.136 0.000 0.901 417 S HN 0.698 nan 8.310 nan 0.000 0.447 418 V N 1.033 120.787 119.914 -0.268 0.000 3.052 418 V HA 0.391 4.511 4.120 -0.000 0.000 0.254 418 V C 2.025 177.964 176.094 -0.260 0.000 1.100 418 V CA 0.700 62.879 62.300 -0.201 0.000 1.112 418 V CB -0.827 30.926 31.823 -0.117 0.000 0.738 418 V HN 0.882 nan 8.190 nan 0.000 0.469 419 G N 0.084 108.630 108.800 -0.424 0.000 2.159 419 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.227 419 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.227 419 G C 0.435 175.068 174.900 -0.445 0.000 0.986 419 G CA 0.312 45.107 45.100 -0.508 0.000 0.651 419 G HN 0.420 nan 8.290 nan 0.000 0.523 420 D N -0.545 119.687 120.400 -0.281 0.000 2.264 420 D HA 0.147 4.787 4.640 -0.000 0.000 0.208 420 D C 1.007 177.361 176.300 0.091 0.000 0.966 420 D CA 1.691 55.695 54.000 0.007 0.000 0.864 420 D CB 0.014 40.943 40.800 0.216 0.000 0.933 420 D HN 0.714 nan 8.370 nan 0.000 0.499 421 F N -1.785 117.942 119.950 -0.371 0.000 2.686 421 F HA 0.584 5.111 4.527 -0.000 0.000 0.311 421 F C -1.458 173.984 175.800 -0.597 0.000 1.128 421 F CA -1.589 56.141 58.000 -0.450 0.000 0.946 421 F CB 0.644 39.252 39.000 -0.652 0.000 1.336 421 F HN -0.401 nan 8.300 nan 0.000 0.457 422 F N 0.442 120.417 119.950 0.042 0.000 2.598 422 F HA 0.810 5.337 4.527 -0.000 0.000 0.327 422 F C -0.608 175.253 175.800 0.102 0.000 1.057 422 F CA -1.460 56.574 58.000 0.056 0.000 0.957 422 F CB 2.184 41.319 39.000 0.225 0.000 1.278 422 F HN 0.379 nan 8.300 nan 0.000 0.484 423 V N 1.743 121.861 119.914 0.340 0.000 2.443 423 V HA 0.309 4.429 4.120 -0.000 0.000 0.293 423 V C -0.386 175.668 176.094 -0.067 0.000 1.021 423 V CA -1.376 60.994 62.300 0.117 0.000 0.848 423 V CB 1.553 33.486 31.823 0.183 0.000 0.998 423 V HN 0.600 nan 8.190 nan 0.000 0.424 424 K N 5.063 125.234 120.400 -0.382 0.000 2.295 424 K HA 0.210 4.530 4.320 -0.000 0.000 0.270 424 K C -1.656 174.865 176.600 -0.132 0.000 1.011 424 K CA -1.328 54.668 56.287 -0.486 0.000 0.953 424 K CB 0.948 33.078 32.500 -0.615 0.000 0.956 424 K HN 0.295 nan 8.250 nan 0.000 0.477 425 P HA -0.193 nan 4.420 nan 0.000 0.217 425 P C 0.763 178.072 177.300 0.016 0.000 1.151 425 P CA 1.397 64.520 63.100 0.039 0.000 0.849 425 P CB 0.167 31.920 31.700 0.089 0.000 0.787 426 L N -1.448 119.782 121.223 0.012 0.000 2.554 426 L HA 0.016 4.356 4.340 -0.000 0.000 0.226 426 L C 0.672 177.600 176.870 0.097 0.000 1.137 426 L CA 0.804 55.665 54.840 0.035 0.000 0.863 426 L CB -0.405 41.671 42.059 0.028 0.000 0.985 426 L HN -0.055 nan 8.230 nan 0.000 0.451 427 D N -0.396 120.026 120.400 0.037 0.000 2.424 427 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 427 D C 1.560 177.804 176.300 -0.092 0.000 1.150 427 D CA 0.037 54.042 54.000 0.008 0.000 0.831 427 D CB 0.334 41.070 40.800 -0.107 0.000 0.981 427 D HN 0.167 nan 8.370 nan 0.000 0.500 428 R N 0.803 121.302 120.500 -0.002 0.000 2.316 428 R HA -0.017 4.323 4.340 -0.000 0.000 0.202 428 R C 1.020 177.273 176.300 -0.078 0.000 1.029 428 R CA 0.281 56.326 56.100 -0.092 0.000 1.018 428 R CB -0.178 30.065 30.300 -0.094 0.000 0.888 428 R HN 0.389 nan 8.270 nan 0.000 0.471 429 H N 0.145 119.157 119.070 -0.096 0.000 2.679 429 H HA 0.168 4.724 4.556 -0.000 0.000 0.369 429 H C -0.528 174.752 175.328 -0.080 0.000 1.178 429 H CA -0.298 55.702 56.048 -0.079 0.000 1.419 429 H CB 0.578 30.314 29.762 -0.044 0.000 1.458 429 H HN -0.096 nan 8.280 nan 0.000 0.605 430 N N 2.260 120.951 118.700 -0.015 0.000 2.461 430 N HA 0.123 4.863 4.740 -0.000 0.000 0.284 430 N C -0.536 175.020 175.510 0.077 0.000 1.049 430 N CA -0.513 52.506 53.050 -0.051 0.000 0.889 430 N CB 1.179 39.621 38.487 -0.074 0.000 1.365 430 N HN 0.625 nan 8.380 nan 0.000 0.499 431 L N 3.243 124.546 121.223 0.133 0.000 2.851 431 L HA 0.229 4.569 4.340 -0.000 0.000 0.237 431 L C 0.474 177.535 176.870 0.317 0.000 1.257 431 L CA 0.002 54.978 54.840 0.227 0.000 1.061 431 L CB -0.498 41.756 42.059 0.325 0.000 1.372 431 L HN 0.618 nan 8.230 nan 0.000 0.493 432 Q N -0.273 119.701 119.800 0.290 0.000 2.481 432 Q HA -0.191 4.149 4.340 -0.000 0.000 0.272 432 Q C 0.031 176.363 176.000 0.553 0.000 1.157 432 Q CA 0.638 56.648 55.803 0.345 0.000 0.935 432 Q CB -1.133 27.664 28.738 0.098 0.000 1.338 432 Q HN 0.568 nan 8.270 nan 0.000 0.494 433 R N 1.094 121.888 120.500 0.490 0.000 2.643 433 R HA 0.059 4.399 4.340 -0.000 0.000 0.270 433 R C -1.274 175.303 176.300 0.463 0.000 1.061 433 R CA -0.836 55.504 56.100 0.400 0.000 1.107 433 R CB 0.307 30.744 30.300 0.227 0.000 0.999 433 R HN 0.081 nan 8.270 nan 0.000 0.460 434 P HA 0.050 nan 4.420 nan 0.000 0.245 434 P C -0.019 177.496 177.300 0.357 0.000 1.199 434 P CA 0.517 63.846 63.100 0.382 0.000 0.807 434 P CB 0.491 32.386 31.700 0.326 0.000 1.002 435 E N 0.157 120.564 120.200 0.345 0.000 2.187 435 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 435 E C 1.889 178.559 176.600 0.117 0.000 1.004 435 E CA 2.088 58.597 56.400 0.180 0.000 0.813 435 E CB -1.291 28.442 29.700 0.055 0.000 0.736 435 E HN 0.260 nan 8.360 nan 0.000 0.468 436 T N -0.250 114.443 114.554 0.230 0.000 2.894 436 T HA -0.072 4.278 4.350 -0.000 0.000 0.258 436 T C 2.033 176.787 174.700 0.090 0.000 1.043 436 T CA 1.173 63.369 62.100 0.160 0.000 1.141 436 T CB -0.161 68.876 68.868 0.281 0.000 0.873 436 T HN 0.227 nan 8.240 nan 0.000 0.449 437 V N 0.712 120.702 119.914 0.126 0.000 2.759 437 V HA -0.044 4.075 4.120 -0.000 0.000 0.256 437 V C 2.194 178.250 176.094 -0.062 0.000 1.080 437 V CA 1.719 64.063 62.300 0.073 0.000 1.101 437 V CB -0.766 31.158 31.823 0.167 0.000 0.698 437 V HN 0.466 nan 8.190 nan 0.000 0.477 438 E N 1.270 121.381 120.200 -0.149 0.000 2.031 438 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 438 E C 2.300 178.733 176.600 -0.279 0.000 0.994 438 E CA 1.778 57.790 56.400 -0.647 0.000 0.800 438 E CB -0.192 29.224 29.700 -0.473 0.000 0.752 438 E HN 0.650 nan 8.360 nan 0.000 0.447 439 S N 0.429 116.088 115.700 -0.069 0.000 2.383 439 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 439 S C 1.956 176.518 174.600 -0.064 0.000 1.026 439 S CA 0.886 59.084 58.200 -0.005 0.000 0.981 439 S CB -0.192 62.984 63.200 -0.041 0.000 0.818 439 S HN 0.291 nan 8.310 nan 0.000 0.472 440 I N 1.430 121.960 120.570 -0.068 0.000 2.286 440 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 440 I C 2.631 178.632 176.117 -0.192 0.000 1.115 440 I CA 1.042 62.281 61.300 -0.102 0.000 1.392 440 I CB -0.292 37.731 38.000 0.038 0.000 1.065 440 I HN 0.348 nan 8.210 nan 0.000 0.418 441 M N 0.784 120.263 119.600 -0.203 0.000 2.067 441 M HA -0.248 4.231 4.480 -0.000 0.000 0.260 441 M C 2.341 178.534 176.300 -0.178 0.000 1.069 441 M CA 2.207 57.362 55.300 -0.241 0.000 1.117 441 M CB -0.702 31.682 32.600 -0.361 0.000 1.334 441 M HN 0.082 nan 8.290 nan 0.000 0.407 442 F N 0.600 120.457 119.950 -0.155 0.000 2.095 442 F HA -0.282 4.244 4.527 -0.000 0.000 0.298 442 F C 2.477 178.190 175.800 -0.146 0.000 1.104 442 F CA 1.550 59.501 58.000 -0.081 0.000 1.232 442 F CB -0.803 38.133 39.000 -0.106 0.000 0.987 442 F HN 0.149 nan 8.300 nan 0.000 0.475 443 M N -1.180 118.316 119.600 -0.172 0.000 2.108 443 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 443 M C 2.194 178.214 176.300 -0.467 0.000 1.066 443 M CA 1.591 56.566 55.300 -0.540 0.000 1.107 443 M CB -1.625 30.173 32.600 -1.337 0.000 1.356 443 M HN 0.305 nan 8.290 nan 0.000 0.406 444 Y N 0.498 120.515 120.300 -0.471 0.000 2.114 444 Y HA -0.243 4.306 4.550 -0.000 0.000 0.284 444 Y C 2.591 178.280 175.900 -0.352 0.000 1.143 444 Y CA 1.871 59.789 58.100 -0.303 0.000 1.135 444 Y CB -0.380 37.822 38.460 -0.429 0.000 0.980 444 Y HN 0.289 nan 8.280 nan 0.000 0.499 445 H N -0.092 118.793 119.070 -0.308 0.000 2.491 445 H HA -0.047 4.508 4.556 -0.000 0.000 0.290 445 H C 2.094 177.135 175.328 -0.479 0.000 1.050 445 H CA 1.702 57.521 56.048 -0.382 0.000 1.309 445 H CB 0.027 29.763 29.762 -0.043 0.000 1.392 445 H HN 0.424 nan 8.280 nan 0.000 0.554 446 L N -0.082 121.059 121.223 -0.138 0.000 2.354 446 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 446 L C 2.348 179.215 176.870 -0.005 0.000 1.091 446 L CA 0.950 55.796 54.840 0.010 0.000 0.828 446 L CB 0.042 42.283 42.059 0.305 0.000 0.973 446 L HN 0.197 nan 8.230 nan 0.000 0.461 447 S N -3.044 112.650 115.700 -0.010 0.000 2.497 447 S HA -0.023 4.446 4.470 -0.000 0.000 0.221 447 S C 0.950 175.611 174.600 0.101 0.000 1.037 447 S CA -0.081 58.234 58.200 0.193 0.000 0.920 447 S CB 0.032 63.487 63.200 0.425 0.000 0.800 447 S HN 0.425 nan 8.310 nan 0.000 0.505 448 H N 0.871 119.836 119.070 -0.176 0.000 3.211 448 H HA -0.120 4.436 4.556 -0.000 0.000 0.240 448 H C -0.582 174.679 175.328 -0.112 0.000 1.148 448 H CA 1.092 56.919 56.048 -0.369 0.000 1.160 448 H CB -2.080 27.600 29.762 -0.137 0.000 1.232 448 H HN 0.547 nan 8.280 nan 0.000 0.321 449 D N 0.632 121.082 120.400 0.084 0.000 2.339 449 D HA -0.012 4.628 4.640 -0.000 0.000 0.256 449 D C 1.391 177.750 176.300 0.100 0.000 1.214 449 D CA 0.055 54.099 54.000 0.073 0.000 0.877 449 D CB 0.236 41.013 40.800 -0.037 0.000 1.111 449 D HN 0.387 nan 8.370 nan 0.000 0.478 450 H N 4.274 123.374 119.070 0.051 0.000 2.543 450 H HA -0.098 4.458 4.556 -0.000 0.000 0.286 450 H C 1.634 176.862 175.328 -0.166 0.000 1.037 450 H CA 1.029 57.115 56.048 0.064 0.000 1.250 450 H CB 0.520 30.311 29.762 0.049 0.000 1.373 450 H HN 0.494 nan 8.280 nan 0.000 0.580 451 K N 0.202 120.392 120.400 -0.350 0.000 2.152 451 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 451 K C 1.477 177.388 176.600 -1.148 0.000 1.048 451 K CA 1.354 57.212 56.287 -0.716 0.000 0.933 451 K CB -0.143 31.795 32.500 -0.938 0.000 0.721 451 K HN 0.345 nan 8.250 nan 0.000 0.447 452 Y N 0.080 119.944 120.300 -0.725 0.000 2.314 452 Y HA -0.057 4.492 4.550 -0.000 0.000 0.293 452 Y C 2.396 178.000 175.900 -0.494 0.000 1.129 452 Y CA 0.819 58.521 58.100 -0.664 0.000 1.201 452 Y CB 0.062 38.300 38.460 -0.370 0.000 0.999 452 Y HN -0.012 nan 8.280 nan 0.000 0.541 453 R N 0.283 120.481 120.500 -0.503 0.000 2.148 453 R HA -0.130 4.210 4.340 -0.000 0.000 0.223 453 R C 1.825 178.013 176.300 -0.187 0.000 1.088 453 R CA 1.272 56.989 56.100 -0.638 0.000 0.985 453 R CB -0.111 29.585 30.300 -1.007 0.000 0.880 453 R HN 0.491 nan 8.270 nan 0.000 0.451 454 E N -0.641 119.445 120.200 -0.191 0.000 2.072 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 454 E C 1.562 178.295 176.600 0.221 0.000 0.982 454 E CA 0.921 57.359 56.400 0.064 0.000 0.803 454 E CB -0.009 29.741 29.700 0.083 0.000 0.755 454 E HN 0.326 nan 8.360 nan 0.000 0.453 455 W N 0.584 121.799 121.300 -0.142 0.000 2.355 455 W HA -0.000 4.660 4.660 -0.000 0.000 0.309 455 W C 2.458 178.995 176.519 0.029 0.000 1.206 455 W CA 1.157 58.400 57.345 -0.171 0.000 1.284 455 W CB -1.342 27.795 29.460 -0.538 0.000 1.145 455 W HN 0.145 nan 8.180 nan 0.000 0.502 456 G N 0.198 109.138 108.800 0.234 0.000 2.440 456 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 456 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 456 G C 1.775 176.865 174.900 0.316 0.000 1.154 456 G CA 1.914 47.136 45.100 0.203 0.000 0.767 456 G HN 0.287 nan 8.290 nan 0.000 0.552 457 A N 0.846 123.883 122.820 0.362 0.000 1.902 457 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 457 A C 2.171 179.882 177.584 0.211 0.000 1.181 457 A CA 1.905 54.101 52.037 0.265 0.000 0.623 457 A CB -0.381 18.736 19.000 0.195 0.000 0.818 457 A HN 0.467 nan 8.150 nan 0.000 0.443 458 E N -0.332 120.012 120.200 0.239 0.000 2.077 458 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 458 E C 1.901 178.629 176.600 0.214 0.000 0.989 458 E CA 1.302 57.838 56.400 0.226 0.000 0.800 458 E CB -0.300 29.567 29.700 0.278 0.000 0.746 458 E HN 0.708 nan 8.360 nan 0.000 0.452 459 I N 1.087 121.790 120.570 0.221 0.000 2.315 459 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 459 I C 2.561 178.863 176.117 0.308 0.000 1.117 459 I CA 0.776 62.183 61.300 0.179 0.000 1.404 459 I CB -0.295 37.738 38.000 0.054 0.000 1.071 459 I HN 0.065 nan 8.210 nan 0.000 0.419 460 A N 0.432 123.457 122.820 0.342 0.000 1.933 460 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 460 A C 2.377 180.175 177.584 0.357 0.000 1.175 460 A CA 2.393 54.661 52.037 0.385 0.000 0.628 460 A CB -1.010 18.140 19.000 0.250 0.000 0.814 460 A HN 0.373 nan 8.150 nan 0.000 0.444 461 T N -0.205 114.507 114.554 0.262 0.000 2.821 461 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 461 T C 2.233 177.120 174.700 0.311 0.000 1.046 461 T CA 1.568 63.827 62.100 0.265 0.000 1.139 461 T CB -0.246 68.731 68.868 0.181 0.000 0.871 461 T HN 0.467 nan 8.240 nan 0.000 0.454 462 S N 0.764 116.598 115.700 0.224 0.000 2.382 462 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 462 S C 1.649 176.337 174.600 0.146 0.000 1.027 462 S CA 0.924 59.203 58.200 0.132 0.000 0.991 462 S CB -0.446 62.774 63.200 0.033 0.000 0.823 462 S HN 0.462 nan 8.310 nan 0.000 0.469 463 F N 0.245 120.353 119.950 0.263 0.000 2.146 463 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 463 F C 2.023 177.983 175.800 0.268 0.000 1.096 463 F CA 0.916 59.063 58.000 0.246 0.000 1.275 463 F CB -0.288 38.918 39.000 0.343 0.000 1.008 463 F HN 0.175 nan 8.300 nan 0.000 0.480 464 F N 1.415 121.583 119.950 0.364 0.000 2.095 464 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 464 F C 2.233 178.264 175.800 0.385 0.000 1.104 464 F CA 1.962 60.181 58.000 0.364 0.000 1.232 464 F CB -0.478 38.678 39.000 0.259 0.000 0.987 464 F HN -0.046 nan 8.300 nan 0.000 0.475 465 E N -0.742 119.637 120.200 0.298 0.000 2.158 465 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 465 E C 1.247 177.886 176.600 0.064 0.000 0.982 465 E CA 0.851 57.329 56.400 0.129 0.000 0.823 465 E CB -0.108 29.708 29.700 0.193 0.000 0.766 465 E HN 0.395 nan 8.360 nan 0.000 0.468 466 N N 0.079 118.836 118.700 0.094 0.000 2.236 466 N HA -0.006 4.734 4.740 -0.000 0.000 0.196 466 N C 0.844 176.376 175.510 0.038 0.000 1.114 466 N CA 0.717 53.789 53.050 0.037 0.000 0.859 466 N CB 1.168 39.655 38.487 -0.001 0.000 0.982 466 N HN 0.164 nan 8.380 nan 0.000 0.493 467 T N -2.913 111.706 114.554 0.108 0.000 3.058 467 T HA 0.128 4.477 4.350 -0.000 0.000 0.278 467 T C 0.968 175.691 174.700 0.037 0.000 0.974 467 T CA -0.505 61.642 62.100 0.079 0.000 0.893 467 T CB -1.050 67.888 68.868 0.117 0.000 1.138 467 T HN 0.167 nan 8.240 nan 0.000 0.529 468 C N 1.470 120.767 119.300 -0.005 0.000 2.604 468 C HA 0.851 5.311 4.460 -0.000 0.000 0.396 468 C C 0.213 175.029 174.990 -0.290 0.000 1.282 468 C CA -0.978 57.848 59.018 -0.320 0.000 2.292 468 C CB 0.072 27.561 27.740 -0.418 0.000 2.633 468 C HN 0.300 nan 8.230 nan 0.000 0.620 469 V N 3.110 122.805 119.914 -0.365 0.000 2.656 469 V HA 0.452 4.572 4.120 -0.000 0.000 0.307 469 V C -0.202 175.755 176.094 -0.229 0.000 1.051 469 V CA -0.069 62.083 62.300 -0.246 0.000 0.893 469 V CB 1.537 33.220 31.823 -0.234 0.000 0.999 469 V HN 1.061 nan 8.190 nan 0.000 0.426 470 D N 1.936 122.245 120.400 -0.152 0.000 2.699 470 D HA -0.188 4.452 4.640 -0.000 0.000 0.239 470 D C 1.305 177.526 176.300 -0.132 0.000 1.136 470 D CA 0.864 54.800 54.000 -0.108 0.000 0.668 470 D CB -0.645 40.110 40.800 -0.076 0.000 1.060 470 D HN 0.800 nan 8.370 nan 0.000 0.429 471 C N 0.116 119.323 119.300 -0.155 0.000 2.410 471 C HA -0.144 4.316 4.460 -0.000 0.000 0.281 471 C C 2.051 176.995 174.990 -0.076 0.000 1.318 471 C CA 0.346 59.256 59.018 -0.180 0.000 1.776 471 C CB -0.495 27.143 27.740 -0.169 0.000 1.942 471 C HN 0.481 nan 8.230 nan 0.000 0.508 472 N N 0.485 119.167 118.700 -0.029 0.000 2.270 472 N HA 0.040 4.780 4.740 -0.000 0.000 0.198 472 N C -0.341 175.189 175.510 0.034 0.000 1.117 472 N CA 0.594 53.657 53.050 0.022 0.000 0.845 472 N CB 0.068 38.567 38.487 0.020 0.000 0.980 472 N HN 0.540 nan 8.380 nan 0.000 0.486 473 D N 0.884 121.295 120.400 0.019 0.000 2.420 473 D HA 0.185 4.825 4.640 -0.000 0.000 0.255 473 D C -1.781 174.547 176.300 0.046 0.000 1.185 473 D CA -2.007 52.013 54.000 0.033 0.000 0.904 473 D CB 1.893 42.703 40.800 0.017 0.000 1.102 473 D HN -0.060 nan 8.370 nan 0.000 0.534 474 P HA -0.180 nan 4.420 nan 0.000 0.223 474 P C 1.035 178.389 177.300 0.090 0.000 1.144 474 P CA 0.699 63.868 63.100 0.115 0.000 0.783 474 P CB 0.615 32.400 31.700 0.143 0.000 0.771 475 K N 0.003 120.442 120.400 0.065 0.000 2.305 475 K HA 0.071 4.391 4.320 -0.000 0.000 0.199 475 K C 1.838 178.466 176.600 0.047 0.000 1.047 475 K CA 0.937 57.256 56.287 0.053 0.000 0.976 475 K CB -0.498 32.027 32.500 0.041 0.000 0.765 475 K HN 0.160 nan 8.250 nan 0.000 0.474 476 L N -0.230 121.016 121.223 0.038 0.000 2.920 476 L HA 0.315 4.655 4.340 -0.000 0.000 0.257 476 L C 0.629 177.503 176.870 0.007 0.000 1.150 476 L CA -0.542 54.322 54.840 0.040 0.000 0.959 476 L CB 0.218 42.298 42.059 0.034 0.000 1.321 476 L HN -0.018 nan 8.230 nan 0.000 0.555 477 R N 2.335 122.816 120.500 -0.032 0.000 2.640 477 R HA 0.153 4.493 4.340 -0.000 0.000 0.270 477 R C -0.627 175.537 176.300 -0.228 0.000 1.024 477 R CA 0.340 56.344 56.100 -0.160 0.000 1.085 477 R CB 0.452 30.674 30.300 -0.129 0.000 0.963 477 R HN 0.203 nan 8.270 nan 0.000 0.426 478 R N 2.561 122.765 120.500 -0.493 0.000 2.747 478 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 478 R C -1.545 174.194 176.300 -0.934 0.000 1.032 478 R CA -0.749 55.065 56.100 -0.477 0.000 0.896 478 R CB 0.509 30.759 30.300 -0.083 0.000 1.253 478 R HN 0.310 nan 8.270 nan 0.000 0.461 479 F N -1.016 118.914 119.950 -0.033 0.000 2.540 479 F HA 0.808 5.335 4.527 -0.000 0.000 0.317 479 F C 0.226 175.804 175.800 -0.370 0.000 1.104 479 F CA -0.625 57.239 58.000 -0.226 0.000 0.913 479 F CB 2.921 41.747 39.000 -0.289 0.000 1.170 479 F HN 0.608 nan 8.300 nan 0.000 0.450 480 T N 0.441 114.859 114.554 -0.226 0.000 2.865 480 T HA 0.521 4.871 4.350 -0.000 0.000 0.294 480 T C -0.431 174.142 174.700 -0.212 0.000 1.119 480 T CA -0.453 61.502 62.100 -0.242 0.000 1.007 480 T CB 1.424 70.171 68.868 -0.200 0.000 1.225 480 T HN 0.540 nan 8.240 nan 0.000 0.515 481 S N 1.020 116.622 115.700 -0.164 0.000 2.608 481 S HA 0.579 5.049 4.470 -0.000 0.000 0.261 481 S C -0.872 173.693 174.600 -0.057 0.000 1.314 481 S CA -0.505 57.645 58.200 -0.083 0.000 0.992 481 S CB 0.211 63.386 63.200 -0.041 0.000 0.935 481 S HN 0.412 nan 8.310 nan 0.000 0.564 482 L N 1.565 122.779 121.223 -0.015 0.000 2.365 482 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 482 L C 1.248 178.125 176.870 0.012 0.000 1.000 482 L CA -0.040 54.786 54.840 -0.023 0.000 0.819 482 L CB 1.519 43.557 42.059 -0.035 0.000 1.284 482 L HN 0.809 nan 8.230 nan 0.000 0.418 483 S N -0.306 115.386 115.700 -0.013 0.000 2.470 483 S HA 0.114 4.583 4.470 -0.000 0.000 0.225 483 S C 0.352 174.958 174.600 0.010 0.000 1.006 483 S CA 0.267 58.466 58.200 -0.002 0.000 0.934 483 S CB 0.135 63.309 63.200 -0.043 0.000 0.778 483 S HN 0.663 nan 8.310 nan 0.000 0.517 484 D N 0.404 120.786 120.400 -0.030 0.000 2.616 484 D HA 0.235 4.875 4.640 -0.000 0.000 0.238 484 D C -0.011 176.221 176.300 -0.112 0.000 1.354 484 D CA -0.499 53.459 54.000 -0.070 0.000 0.970 484 D CB 1.429 42.183 40.800 -0.077 0.000 1.369 484 D HN 0.263 nan 8.370 nan 0.000 0.585 485 C N 3.138 122.342 119.300 -0.159 0.000 2.974 485 C HA 0.423 4.883 4.460 -0.000 0.000 0.282 485 C C 1.642 176.461 174.990 -0.284 0.000 1.292 485 C CA -0.449 58.453 59.018 -0.195 0.000 1.710 485 C CB -0.799 26.818 27.740 -0.205 0.000 2.036 485 C HN 0.569 nan 8.230 nan 0.000 0.629 486 I N 2.439 122.796 120.570 -0.354 0.000 3.081 486 I HA 0.071 4.241 4.170 -0.000 0.000 0.274 486 I C 1.634 177.510 176.117 -0.402 0.000 1.178 486 I CA 1.087 62.042 61.300 -0.575 0.000 1.460 486 I CB -1.122 36.367 38.000 -0.852 0.000 1.137 486 I HN 0.513 nan 8.210 nan 0.000 0.443 487 T N 1.734 116.138 114.554 -0.250 0.000 2.913 487 T HA 0.563 4.913 4.350 -0.000 0.000 0.297 487 T C -0.275 174.360 174.700 -0.108 0.000 1.029 487 T CA -0.338 61.675 62.100 -0.144 0.000 1.104 487 T CB 1.509 70.319 68.868 -0.097 0.000 0.964 487 T HN 0.036 nan 8.240 nan 0.000 0.532 488 L N 3.648 124.832 121.223 -0.065 0.000 2.381 488 L HA 0.480 4.819 4.340 -0.000 0.000 0.274 488 L C -1.593 175.259 176.870 -0.030 0.000 0.988 488 L CA -2.059 52.754 54.840 -0.046 0.000 0.824 488 L CB 1.752 43.795 42.059 -0.027 0.000 1.263 488 L HN 0.704 nan 8.230 nan 0.000 0.410 489 P HA 0.147 nan 4.420 nan 0.000 0.272 489 P C -0.232 177.035 177.300 -0.054 0.000 1.223 489 P CA -0.358 62.719 63.100 -0.038 0.000 0.784 489 P CB 0.618 32.297 31.700 -0.034 0.000 0.923 490 T N -0.752 113.765 114.554 -0.061 0.000 2.903 490 T HA 0.154 4.504 4.350 -0.000 0.000 0.314 490 T C 0.231 174.890 174.700 -0.068 0.000 1.078 490 T CA -0.545 61.510 62.100 -0.075 0.000 1.114 490 T CB 0.464 69.286 68.868 -0.076 0.000 0.987 490 T HN 0.328 nan 8.240 nan 0.000 0.548 491 K N 2.167 122.525 120.400 -0.071 0.000 2.253 491 K HA 0.347 4.667 4.320 -0.000 0.000 0.277 491 K C -0.387 176.173 176.600 -0.067 0.000 1.053 491 K CA -0.873 55.374 56.287 -0.065 0.000 0.892 491 K CB 1.076 33.539 32.500 -0.060 0.000 1.102 491 K HN 0.403 nan 8.250 nan 0.000 0.469 492 K N 1.038 121.393 120.400 -0.076 0.000 2.218 492 K HA 0.184 4.504 4.320 -0.000 0.000 0.276 492 K C -0.072 176.474 176.600 -0.089 0.000 1.022 492 K CA -0.114 56.121 56.287 -0.087 0.000 0.946 492 K CB 1.471 33.907 32.500 -0.107 0.000 1.000 492 K HN 0.351 nan 8.250 nan 0.000 0.468 493 S N 1.353 116.998 115.700 -0.091 0.000 2.501 493 S HA 0.241 4.711 4.470 -0.000 0.000 0.301 493 S C -0.366 174.160 174.600 -0.123 0.000 1.096 493 S CA -0.877 57.268 58.200 -0.091 0.000 1.063 493 S CB 0.559 63.719 63.200 -0.066 0.000 1.042 493 S HN 0.571 nan 8.310 nan 0.000 0.494 494 N N 3.640 122.259 118.700 -0.134 0.000 3.178 494 N HA 0.245 4.985 4.740 -0.000 0.000 0.300 494 N C -1.000 174.402 175.510 -0.179 0.000 1.242 494 N CA 0.072 53.013 53.050 -0.181 0.000 1.192 494 N CB -0.744 37.634 38.487 -0.182 0.000 1.463 494 N HN 0.606 nan 8.380 nan 0.000 0.539 495 N N 0.973 119.571 118.700 -0.170 0.000 2.647 495 N HA 0.220 4.960 4.740 -0.000 0.000 0.259 495 N C -1.920 173.510 175.510 -0.132 0.000 1.098 495 N CA -0.532 52.435 53.050 -0.138 0.000 0.984 495 N CB 0.995 39.435 38.487 -0.077 0.000 1.683 495 N HN 0.192 nan 8.380 nan 0.000 0.501 496 M N 2.498 122.041 119.600 -0.095 0.000 2.114 496 M HA 0.421 4.901 4.480 -0.000 0.000 0.332 496 M C -0.793 175.450 176.300 -0.095 0.000 1.014 496 M CA -0.552 54.700 55.300 -0.080 0.000 0.956 496 M CB 0.787 33.423 32.600 0.060 0.000 1.551 496 M HN 0.415 nan 8.290 nan 0.000 0.427 497 E N 2.340 122.400 120.200 -0.234 0.000 2.373 497 E HA 0.051 4.401 4.350 -0.000 0.000 0.267 497 E C 0.980 177.341 176.600 -0.398 0.000 1.032 497 E CA 0.252 56.346 56.400 -0.510 0.000 0.889 497 E CB 1.303 30.208 29.700 -1.326 0.000 0.984 497 E HN 0.864 nan 8.360 nan 0.000 0.425 498 S N 2.383 117.910 115.700 -0.289 0.000 2.399 498 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 498 S C 1.663 176.222 174.600 -0.069 0.000 1.022 498 S CA 1.237 59.362 58.200 -0.125 0.000 0.983 498 S CB -0.584 62.557 63.200 -0.098 0.000 0.803 498 S HN 0.558 nan 8.310 nan 0.000 0.480 499 F N 0.084 120.079 119.950 0.075 0.000 2.699 499 F HA 0.280 4.807 4.527 -0.001 0.000 0.298 499 F C 2.130 177.989 175.800 0.099 0.000 1.154 499 F CA -0.739 57.289 58.000 0.048 0.000 1.457 499 F CB -1.141 37.887 39.000 0.046 0.000 1.106 499 F HN 0.331 nan 8.300 nan 0.000 0.585 500 W N 1.866 123.118 121.300 -0.080 0.000 2.363 500 W HA -0.138 4.522 4.660 -0.000 0.000 0.296 500 W C 1.091 177.593 176.519 -0.028 0.000 1.212 500 W CA 1.460 58.771 57.345 -0.057 0.000 1.260 500 W CB -0.268 29.106 29.460 -0.143 0.000 1.131 500 W HN 0.162 nan 8.180 nan 0.000 0.530 501 L N 0.605 121.761 121.223 -0.112 0.000 2.168 501 L HA 0.037 4.376 4.340 -0.000 0.000 0.203 501 L C 2.860 179.749 176.870 0.032 0.000 1.078 501 L CA 0.983 55.733 54.840 -0.149 0.000 0.780 501 L CB -1.203 40.795 42.059 -0.102 0.000 0.939 501 L HN -0.104 nan 8.230 nan 0.000 0.451 502 A N -0.274 122.564 122.820 0.030 0.000 1.968 502 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 502 A C 1.991 179.481 177.584 -0.156 0.000 1.169 502 A CA 1.328 53.359 52.037 -0.010 0.000 0.638 502 A CB -0.039 18.968 19.000 0.012 0.000 0.812 502 A HN 0.454 nan 8.150 nan 0.000 0.446 503 E N -2.251 117.885 120.200 -0.106 0.000 2.629 503 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 503 E C 1.924 178.448 176.600 -0.126 0.000 0.955 503 E CA 0.675 56.951 56.400 -0.206 0.000 1.191 503 E CB -0.132 29.567 29.700 -0.002 0.000 1.175 503 E HN 0.368 nan 8.360 nan 0.000 0.501 504 T N 2.782 117.346 114.554 0.018 0.000 2.652 504 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 504 T C 2.045 176.632 174.700 -0.188 0.000 1.039 504 T CA 1.126 63.227 62.100 0.001 0.000 1.153 504 T CB -0.279 68.615 68.868 0.044 0.000 0.863 504 T HN 0.016 nan 8.240 nan 0.000 0.428 505 L N 0.583 121.547 121.223 -0.432 0.000 2.156 505 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 505 L C 2.708 179.469 176.870 -0.181 0.000 1.095 505 L CA 1.105 55.714 54.840 -0.385 0.000 0.770 505 L CB -0.432 41.331 42.059 -0.494 0.000 0.914 505 L HN 0.255 nan 8.230 nan 0.000 0.439 506 K N 0.069 120.333 120.400 -0.226 0.000 2.025 506 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 506 K C 2.155 178.622 176.600 -0.222 0.000 1.049 506 K CA 1.585 57.714 56.287 -0.263 0.000 0.933 506 K CB -0.261 32.001 32.500 -0.397 0.000 0.714 506 K HN 0.203 nan 8.250 nan 0.000 0.438 507 Y N 0.917 121.107 120.300 -0.183 0.000 2.293 507 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 507 Y C 2.182 177.983 175.900 -0.165 0.000 1.137 507 Y CA 0.552 58.504 58.100 -0.246 0.000 1.202 507 Y CB 0.071 38.395 38.460 -0.226 0.000 0.990 507 Y HN 0.035 nan 8.280 nan 0.000 0.537 508 L N -1.524 119.748 121.223 0.081 0.000 2.056 508 L HA -0.261 4.078 4.340 -0.000 0.000 0.207 508 L C 2.265 179.231 176.870 0.159 0.000 1.078 508 L CA 1.301 56.209 54.840 0.114 0.000 0.749 508 L CB -0.578 41.566 42.059 0.142 0.000 0.901 508 L HN 0.277 nan 8.230 nan 0.000 0.433 509 Y N 0.744 121.029 120.300 -0.026 0.000 2.145 509 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 509 Y C 2.405 178.267 175.900 -0.063 0.000 1.145 509 Y CA 1.537 59.619 58.100 -0.030 0.000 1.148 509 Y CB -0.174 38.200 38.460 -0.144 0.000 0.981 509 Y HN 0.009 nan 8.280 nan 0.000 0.507 510 I N -0.488 120.009 120.570 -0.121 0.000 2.361 510 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 510 I C 2.284 178.296 176.117 -0.175 0.000 1.133 510 I CA 1.052 62.160 61.300 -0.319 0.000 1.413 510 I CB -0.493 37.161 38.000 -0.576 0.000 1.073 510 I HN 0.297 nan 8.210 nan 0.000 0.424 511 L N 0.690 121.770 121.223 -0.239 0.000 2.079 511 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 511 L C 1.576 177.965 176.870 -0.802 0.000 1.081 511 L CA 2.029 56.565 54.840 -0.508 0.000 0.752 511 L CB -0.643 41.005 42.059 -0.686 0.000 0.896 511 L HN 0.099 nan 8.230 nan 0.000 0.433 512 F N -1.148 118.638 119.950 -0.273 0.000 2.639 512 F HA 0.250 4.777 4.527 -0.000 0.000 0.300 512 F C 0.398 176.057 175.800 -0.236 0.000 1.109 512 F CA -0.778 57.049 58.000 -0.288 0.000 1.335 512 F CB 0.093 38.939 39.000 -0.256 0.000 1.014 512 F HN -0.077 nan 8.300 nan 0.000 0.537 513 L N 0.807 121.984 121.223 -0.077 0.000 2.305 513 L HA 0.203 4.543 4.340 -0.000 0.000 0.281 513 L C 0.998 177.978 176.870 0.183 0.000 1.085 513 L CA 0.194 55.018 54.840 -0.026 0.000 0.813 513 L CB 0.555 42.583 42.059 -0.051 0.000 1.157 513 L HN -0.051 nan 8.230 nan 0.000 0.436 514 D N 1.982 122.472 120.400 0.150 0.000 2.317 514 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 514 D C -0.184 176.273 176.300 0.263 0.000 0.966 514 D CA 0.977 55.105 54.000 0.214 0.000 0.876 514 D CB 0.432 41.311 40.800 0.132 0.000 0.927 514 D HN 0.552 nan 8.370 nan 0.000 0.519 515 E N -0.401 119.928 120.200 0.216 0.000 2.260 515 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 515 E C -1.307 175.387 176.600 0.156 0.000 0.887 515 E CA -0.539 55.962 56.400 0.169 0.000 0.777 515 E CB 2.085 31.832 29.700 0.079 0.000 1.205 515 E HN -0.153 nan 8.360 nan 0.000 0.414 516 F N 2.702 122.568 119.950 -0.139 0.000 2.915 516 F HA 0.159 4.685 4.527 -0.000 0.000 0.350 516 F C -1.189 174.493 175.800 -0.196 0.000 1.248 516 F CA -0.877 56.961 58.000 -0.272 0.000 1.084 516 F CB 1.174 39.800 39.000 -0.625 0.000 1.391 516 F HN 0.276 nan 8.300 nan 0.000 0.548 517 D N 6.191 126.331 120.400 -0.435 0.000 2.374 517 D HA 0.176 4.816 4.640 -0.000 0.000 0.240 517 D C 0.933 177.074 176.300 -0.265 0.000 1.229 517 D CA 0.188 54.035 54.000 -0.255 0.000 0.895 517 D CB 0.764 41.437 40.800 -0.212 0.000 1.046 517 D HN 0.698 nan 8.370 nan 0.000 0.498 518 L N 2.855 124.048 121.223 -0.051 0.000 2.622 518 L HA -0.048 4.292 4.340 -0.000 0.000 0.233 518 L C 2.168 179.059 176.870 0.036 0.000 1.156 518 L CA 0.732 55.617 54.840 0.076 0.000 0.866 518 L CB -0.290 41.922 42.059 0.255 0.000 0.980 518 L HN 0.427 nan 8.230 nan 0.000 0.448 519 T N -4.876 109.664 114.554 -0.022 0.000 3.065 519 T HA 0.005 4.355 4.350 -0.000 0.000 0.252 519 T C 1.534 176.188 174.700 -0.077 0.000 1.099 519 T CA 0.172 62.255 62.100 -0.028 0.000 1.063 519 T CB 0.105 68.966 68.868 -0.012 0.000 0.948 519 T HN 0.217 nan 8.240 nan 0.000 0.506 520 K N 0.285 120.612 120.400 -0.122 0.000 2.358 520 K HA 0.482 4.802 4.320 -0.000 0.000 0.200 520 K C -0.269 176.223 176.600 -0.180 0.000 1.030 520 K CA -0.129 56.074 56.287 -0.141 0.000 1.097 520 K CB 1.377 33.793 32.500 -0.141 0.000 0.862 520 K HN 0.274 nan 8.250 nan 0.000 0.534 521 V N 0.484 120.277 119.914 -0.202 0.000 3.049 521 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 521 V C -1.789 174.160 176.094 -0.242 0.000 1.148 521 V CA -0.795 61.346 62.300 -0.265 0.000 0.990 521 V CB 2.390 33.998 31.823 -0.358 0.000 1.039 521 V HN -0.228 nan 8.190 nan 0.000 0.430 522 V N 5.821 125.553 119.914 -0.303 0.000 2.525 522 V HA 0.530 4.649 4.120 -0.000 0.000 0.299 522 V C -0.694 175.214 176.094 -0.310 0.000 1.034 522 V CA -0.557 61.618 62.300 -0.208 0.000 0.863 522 V CB 1.515 33.201 31.823 -0.230 0.000 0.999 522 V HN 0.730 nan 8.190 nan 0.000 0.423 523 F N 3.505 123.457 119.950 0.004 0.000 2.412 523 F HA 0.337 4.864 4.527 -0.000 0.000 0.348 523 F C 1.119 176.812 175.800 -0.179 0.000 1.102 523 F CA -0.023 57.955 58.000 -0.035 0.000 1.196 523 F CB 0.802 39.933 39.000 0.219 0.000 1.144 523 F HN 0.735 nan 8.300 nan 0.000 0.541 524 N N 0.200 118.776 118.700 -0.207 0.000 2.322 524 N HA 0.007 4.747 4.740 -0.000 0.000 0.270 524 N C 0.874 176.464 175.510 0.134 0.000 1.286 524 N CA -0.327 52.619 53.050 -0.173 0.000 0.948 524 N CB 0.491 38.764 38.487 -0.356 0.000 1.164 524 N HN 0.594 nan 8.380 nan 0.000 0.551 525 T N -1.418 113.292 114.554 0.260 0.000 3.113 525 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 525 T C 0.716 175.421 174.700 0.008 0.000 1.143 525 T CA 0.894 63.077 62.100 0.138 0.000 1.090 525 T CB -0.522 68.363 68.868 0.028 0.000 0.922 525 T HN 0.619 nan 8.240 nan 0.000 0.521 526 E N 0.106 120.258 120.200 -0.079 0.000 2.496 526 E HA 0.571 4.921 4.350 -0.000 0.000 0.202 526 E C 0.734 177.041 176.600 -0.489 0.000 1.021 526 E CA 0.419 56.661 56.400 -0.263 0.000 1.015 526 E CB -0.428 29.093 29.700 -0.298 0.000 1.102 526 E HN 0.302 nan 8.360 nan 0.000 0.452 527 A N 0.867 123.574 122.820 -0.188 0.000 2.826 527 A HA -0.213 4.107 4.320 -0.000 0.000 0.274 527 A C -0.535 177.033 177.584 -0.027 0.000 1.443 527 A CA 1.041 52.980 52.037 -0.163 0.000 0.833 527 A CB -2.356 16.239 19.000 -0.675 0.000 1.023 527 A HN 0.467 nan 8.150 nan 0.000 0.600 528 H N 0.121 119.253 119.070 0.104 0.000 2.640 528 H HA 0.391 4.946 4.556 -0.000 0.000 0.297 528 H C -2.501 172.796 175.328 -0.052 0.000 1.073 528 H CA -1.608 54.480 56.048 0.066 0.000 1.305 528 H CB 0.697 30.499 29.762 0.067 0.000 1.404 528 H HN 0.428 nan 8.280 nan 0.000 0.459 529 P HA 0.135 nan 4.420 nan 0.000 0.276 529 P C -0.474 176.945 177.300 0.199 0.000 1.243 529 P CA 0.271 63.265 63.100 -0.176 0.000 0.768 529 P CB 0.555 32.077 31.700 -0.297 0.000 0.856 530 F N 4.378 124.136 119.950 -0.320 0.000 2.507 530 F HA 0.431 4.958 4.527 -0.001 0.000 0.327 530 F C -1.651 173.694 175.800 -0.760 0.000 1.068 530 F CA -3.088 54.535 58.000 -0.629 0.000 0.965 530 F CB 2.845 41.407 39.000 -0.730 0.000 1.192 530 F HN 0.133 nan 8.300 nan 0.000 0.476 531 P HA 0.110 nan 4.420 nan 0.000 0.281 531 P C -0.692 176.327 177.300 -0.469 0.000 1.249 531 P CA -0.221 62.504 63.100 -0.625 0.000 0.810 531 P CB 1.848 33.155 31.700 -0.655 0.000 1.008 532 V N 3.558 123.281 119.914 -0.318 0.000 2.585 532 V HA -0.016 4.104 4.120 -0.000 0.000 0.296 532 V C 0.973 176.902 176.094 -0.276 0.000 1.035 532 V CA 0.118 62.238 62.300 -0.300 0.000 1.084 532 V CB -0.266 31.436 31.823 -0.202 0.000 0.953 532 V HN 0.325 nan 8.190 nan 0.000 0.483 533 L N 4.225 125.238 121.223 -0.350 0.000 2.371 533 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 533 L C 0.678 177.556 176.870 0.012 0.000 1.124 533 L CA -0.306 54.315 54.840 -0.365 0.000 0.816 533 L CB 0.507 42.195 42.059 -0.618 0.000 1.129 533 L HN 0.609 nan 8.230 nan 0.000 0.448 534 D N 2.635 123.094 120.400 0.099 0.000 2.358 534 D HA -0.020 4.619 4.640 -0.000 0.000 0.258 534 D C 0.852 177.256 176.300 0.173 0.000 1.223 534 D CA 0.056 54.150 54.000 0.156 0.000 0.886 534 D CB 1.092 41.990 40.800 0.164 0.000 1.120 534 D HN 0.582 nan 8.370 nan 0.000 0.482 535 E N 2.781 123.035 120.200 0.090 0.000 2.097 535 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 535 E C 1.386 178.023 176.600 0.062 0.000 1.000 535 E CA 1.000 57.444 56.400 0.073 0.000 0.804 535 E CB 0.264 29.912 29.700 -0.087 0.000 0.740 535 E HN 0.570 nan 8.360 nan 0.000 0.454 536 E N 0.540 120.761 120.200 0.035 0.000 2.077 536 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 536 E C 2.191 178.816 176.600 0.041 0.000 0.989 536 E CA 0.777 57.192 56.400 0.025 0.000 0.800 536 E CB -0.193 29.514 29.700 0.011 0.000 0.746 536 E HN 0.392 nan 8.360 nan 0.000 0.452 537 I N 0.801 121.422 120.570 0.085 0.000 2.315 537 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 537 I C 2.451 178.611 176.117 0.072 0.000 1.117 537 I CA 0.681 62.025 61.300 0.073 0.000 1.404 537 I CB -0.261 37.812 38.000 0.122 0.000 1.071 537 I HN 0.043 nan 8.210 nan 0.000 0.419 538 L N 1.143 122.457 121.223 0.152 0.000 2.046 538 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 538 L C 3.188 180.037 176.870 -0.035 0.000 1.077 538 L CA 1.900 56.791 54.840 0.084 0.000 0.747 538 L CB -0.970 41.163 42.059 0.123 0.000 0.896 538 L HN 0.243 nan 8.230 nan 0.000 0.432 539 K N 0.388 120.784 120.400 -0.006 0.000 2.026 539 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 539 K C 2.236 178.809 176.600 -0.045 0.000 1.048 539 K CA 1.888 58.157 56.287 -0.029 0.000 0.929 539 K CB -1.470 31.024 32.500 -0.009 0.000 0.713 539 K HN 0.566 nan 8.250 nan 0.000 0.439 540 S N 0.577 116.256 115.700 -0.035 0.000 2.442 540 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 540 S C 1.945 176.507 174.600 -0.063 0.000 1.007 540 S CA 1.409 59.584 58.200 -0.043 0.000 0.965 540 S CB -0.142 63.036 63.200 -0.036 0.000 0.773 540 S HN 0.709 nan 8.310 nan 0.000 0.504 541 Q N 0.543 120.294 119.800 -0.082 0.000 2.360 541 Q HA 0.299 4.639 4.340 -0.000 0.000 0.202 541 Q C -0.167 175.751 176.000 -0.136 0.000 0.915 541 Q CA 0.187 55.926 55.803 -0.106 0.000 0.943 541 Q CB 0.214 28.881 28.738 -0.118 0.000 1.064 541 Q HN 0.528 nan 8.270 nan 0.000 0.511 542 S N 0.420 116.039 115.700 -0.136 0.000 3.698 542 S HA -0.140 4.330 4.470 -0.000 0.000 0.338 542 S C -0.210 174.218 174.600 -0.287 0.000 1.089 542 S CA 0.275 58.382 58.200 -0.155 0.000 0.991 542 S CB -1.460 61.674 63.200 -0.110 0.000 0.909 542 S HN 0.398 nan 8.310 nan 0.000 0.485 543 L N 2.247 123.218 121.223 -0.421 0.000 2.287 543 L HA 0.432 4.772 4.340 -0.000 0.000 0.280 543 L C 0.783 177.206 176.870 -0.746 0.000 1.055 543 L CA -0.067 54.195 54.840 -0.964 0.000 0.863 543 L CB 0.689 42.071 42.059 -1.129 0.000 1.245 543 L HN 0.439 nan 8.230 nan 0.000 0.432 544 T N -2.287 112.020 114.554 -0.413 0.000 2.864 544 T HA 0.371 4.721 4.350 -0.000 0.000 0.289 544 T C 0.048 174.981 174.700 0.387 0.000 1.082 544 T CA -0.762 61.365 62.100 0.045 0.000 1.009 544 T CB 1.615 70.502 68.868 0.031 0.000 1.234 544 T HN 0.156 nan 8.240 nan 0.000 0.526 545 T N 1.529 116.319 114.554 0.392 0.000 2.761 545 T HA 0.371 4.720 4.350 -0.000 0.000 0.287 545 T C 1.468 176.355 174.700 0.313 0.000 0.931 545 T CA -0.002 62.343 62.100 0.409 0.000 1.164 545 T CB 0.221 69.189 68.868 0.167 0.000 0.876 545 T HN 0.899 nan 8.240 nan 0.000 0.534 546 G N 3.503 112.580 108.800 0.463 0.000 3.181 546 G HA2 0.259 4.219 3.960 -0.000 0.000 0.219 546 G HA3 0.259 4.219 3.960 -0.000 0.000 0.219 546 G C 0.129 175.273 174.900 0.408 0.000 1.182 546 G CA -0.518 44.802 45.100 0.367 0.000 0.791 546 G HN 0.800 nan 8.290 nan 0.000 0.537 547 W N -1.422 119.946 121.300 0.113 0.000 2.988 547 W HA 0.781 5.441 4.660 0.000 0.000 0.355 547 W C -1.354 175.172 176.519 0.013 0.000 1.233 547 W CA -1.138 56.248 57.345 0.068 0.000 1.176 547 W CB 0.841 30.355 29.460 0.090 0.000 1.477 547 W HN -0.054 nan 8.180 nan 0.000 0.582 548 S N 0.263 115.804 115.700 -0.265 0.000 2.688 548 S HA 0.823 5.293 4.470 -0.000 0.000 0.275 548 S C -2.040 172.326 174.600 -0.390 0.000 1.175 548 S CA -0.360 57.486 58.200 -0.591 0.000 0.818 548 S CB 1.841 64.867 63.200 -0.289 0.000 1.157 548 S HN 0.709 nan 8.310 nan 0.000 0.482 549 L N 0.000 120.993 121.223 -0.384 0.000 2.949 549 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 549 L CA 0.000 54.738 54.840 -0.170 0.000 0.813 549 L CB 0.000 41.941 42.059 -0.197 0.000 0.961 549 L HN 0.000 nan 8.230 nan 0.000 0.502