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 2idb_1_B DATA FIRST_RESID 7 DATA SEQUENCE NDLRDFLTLL EQQGELKRIT LPVDPHLEIT EIADRTLRAG GPALLFENPK DATA SEQUENCE GYSXPVLCNL FGTPKRVAXG XGQEDVSALR EVGKLLAXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXPTKRLR GAPCQQKIVS GDDVDLNRIP IXTCWPEDAA DATA SEQUENCE PLITWGLTVT RGPHKERQNL GIYRQQLIGK NKLIXRWLSH RGGALDYQEW DATA SEQUENCE CAAHPGERFP VSVALGADPA TILGAVTPVX XXXXEYAFAG LLRGTKTEVV DATA SEQUENCE KCISNDLEVP ASAEIVLEGY IEQGETAPEG PYGDHTGYYN EVDSFPVFTV DATA SEQUENCE THITQREDAI YHSTYTGRPP DEPAVLGVAL NEVFVPILQK QFPEIVDFYL DATA SEQUENCE PPEGCSYRLA VVTIKKQYAG HAKRVXXGVW SFLRQFXYTK FVIVCDDDVN DATA SEQUENCE ARDWNDVIWA ITTRXDPARD TVLVENTPID YLDFASPVSG LGSKXGLDAT DATA SEQUENCE NKWPGETQRE WGRPIKKDPD VVAHIDAIWD ELAIFN 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.512 175.510 0.003 0.000 1.280 7 N CA 0.000 53.054 53.050 0.006 0.000 0.885 7 N CB 0.000 38.494 38.487 0.011 0.000 1.341 8 D N 0.672 121.081 120.400 0.016 0.000 2.666 8 D HA 0.245 4.885 4.640 -0.000 0.000 0.252 8 D C 1.079 177.398 176.300 0.031 0.000 1.143 8 D CA -0.668 53.337 54.000 0.009 0.000 1.096 8 D CB 0.198 41.000 40.800 0.004 0.000 1.260 8 D HN 0.211 nan 8.370 nan 0.000 0.633 9 L N -0.350 120.876 121.223 0.004 0.000 1.994 9 L HA -0.062 4.277 4.340 -0.000 0.000 0.208 9 L C 2.281 179.156 176.870 0.008 0.000 1.071 9 L CA 1.758 56.599 54.840 0.002 0.000 0.745 9 L CB -0.667 41.340 42.059 -0.088 0.000 0.892 9 L HN 0.479 nan 8.230 nan 0.000 0.431 10 R N 0.263 120.753 120.500 -0.017 0.000 2.117 10 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 10 R C 1.970 178.260 176.300 -0.017 0.000 1.143 10 R CA 2.021 58.104 56.100 -0.028 0.000 0.968 10 R CB -0.232 30.057 30.300 -0.019 0.000 0.863 10 R HN 0.515 nan 8.270 nan 0.000 0.444 11 D N -1.068 119.342 120.400 0.017 0.000 2.149 11 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 11 D C 1.550 177.893 176.300 0.071 0.000 0.972 11 D CA 0.840 54.859 54.000 0.032 0.000 0.835 11 D CB -0.188 40.636 40.800 0.040 0.000 0.966 11 D HN 0.152 nan 8.370 nan 0.000 0.476 12 F N 1.801 121.714 119.950 -0.062 0.000 2.216 12 F HA -0.068 4.458 4.527 -0.000 0.000 0.300 12 F C 2.032 177.788 175.800 -0.073 0.000 1.085 12 F CA 0.789 58.752 58.000 -0.062 0.000 1.326 12 F CB -0.466 38.490 39.000 -0.072 0.000 1.027 12 F HN -0.141 nan 8.300 nan 0.000 0.497 13 L N -0.607 120.451 121.223 -0.276 0.000 2.141 13 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 13 L C 2.317 179.032 176.870 -0.257 0.000 1.094 13 L CA 1.561 56.178 54.840 -0.372 0.000 0.763 13 L CB -0.962 40.954 42.059 -0.238 0.000 0.908 13 L HN 0.117 nan 8.230 nan 0.000 0.437 14 T N 0.275 114.740 114.554 -0.149 0.000 2.622 14 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 14 T C 1.794 176.431 174.700 -0.105 0.000 1.047 14 T CA 1.653 63.693 62.100 -0.101 0.000 1.159 14 T CB -0.384 68.452 68.868 -0.053 0.000 0.863 14 T HN 0.145 nan 8.240 nan 0.000 0.422 15 L N 1.050 122.222 121.223 -0.084 0.000 2.012 15 L HA -0.022 4.317 4.340 -0.000 0.000 0.210 15 L C 2.226 179.031 176.870 -0.109 0.000 1.073 15 L CA 1.540 56.346 54.840 -0.057 0.000 0.748 15 L CB -1.053 41.016 42.059 0.016 0.000 0.891 15 L HN 0.161 nan 8.230 nan 0.000 0.431 16 L N -0.104 120.976 121.223 -0.239 0.000 2.081 16 L HA -0.250 4.089 4.340 -0.000 0.000 0.212 16 L C 2.567 179.324 176.870 -0.188 0.000 1.080 16 L CA 2.231 56.897 54.840 -0.290 0.000 0.754 16 L CB -0.712 40.990 42.059 -0.595 0.000 0.893 16 L HN 0.589 nan 8.230 nan 0.000 0.433 17 E N -1.673 118.423 120.200 -0.175 0.000 2.216 17 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 17 E C 2.041 178.590 176.600 -0.085 0.000 0.988 17 E CA 0.363 56.688 56.400 -0.125 0.000 0.834 17 E CB 0.093 29.721 29.700 -0.120 0.000 0.772 17 E HN 0.453 nan 8.360 nan 0.000 0.479 18 Q N 0.028 119.782 119.800 -0.076 0.000 2.364 18 Q HA -0.082 4.258 4.340 -0.000 0.000 0.207 18 Q C 1.090 177.066 176.000 -0.040 0.000 0.970 18 Q CA 1.006 56.779 55.803 -0.049 0.000 0.888 18 Q CB 0.346 29.061 28.738 -0.039 0.000 0.951 18 Q HN 0.218 nan 8.270 nan 0.000 0.469 19 Q N -1.541 118.231 119.800 -0.047 0.000 2.198 19 Q HA 0.265 4.605 4.340 -0.000 0.000 0.209 19 Q C 0.373 176.352 176.000 -0.035 0.000 0.848 19 Q CA 0.504 56.287 55.803 -0.032 0.000 0.974 19 Q CB 0.805 29.530 28.738 -0.022 0.000 1.115 19 Q HN 0.361 nan 8.270 nan 0.000 0.494 20 G N 2.223 110.995 108.800 -0.047 0.000 2.246 20 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 20 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 20 G C 0.306 175.176 174.900 -0.050 0.000 1.055 20 G CA 0.798 45.871 45.100 -0.046 0.000 0.851 20 G HN 0.393 nan 8.290 nan 0.000 0.500 21 E N -1.005 119.154 120.200 -0.070 0.000 2.693 21 E HA 0.447 4.797 4.350 -0.000 0.000 0.214 21 E C 0.202 176.737 176.600 -0.108 0.000 0.990 21 E CA -0.441 55.916 56.400 -0.071 0.000 1.047 21 E CB 0.286 29.951 29.700 -0.059 0.000 1.039 21 E HN 0.306 nan 8.360 nan 0.000 0.475 22 L N 1.528 122.679 121.223 -0.119 0.000 2.541 22 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 22 L C -1.830 174.963 176.870 -0.129 0.000 0.966 22 L CA -0.641 54.111 54.840 -0.146 0.000 0.871 22 L CB 1.493 43.438 42.059 -0.189 0.000 1.232 22 L HN -0.096 nan 8.230 nan 0.000 0.408 23 K N 4.789 125.105 120.400 -0.139 0.000 2.265 23 K HA 0.528 4.847 4.320 -0.000 0.000 0.267 23 K C -0.582 175.914 176.600 -0.173 0.000 0.994 23 K CA -0.327 55.879 56.287 -0.134 0.000 0.860 23 K CB 1.094 33.523 32.500 -0.120 0.000 1.099 23 K HN 0.567 nan 8.250 nan 0.000 0.448 24 R N 3.993 124.412 120.500 -0.135 0.000 2.390 24 R HA 0.357 4.697 4.340 -0.000 0.000 0.291 24 R C -0.194 176.032 176.300 -0.123 0.000 1.070 24 R CA -0.580 55.441 56.100 -0.132 0.000 1.014 24 R CB 0.618 30.869 30.300 -0.082 0.000 1.007 24 R HN 0.465 nan 8.270 nan 0.000 0.466 25 I N 3.655 124.140 120.570 -0.143 0.000 2.337 25 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 25 I C 1.534 177.678 176.117 0.045 0.000 1.041 25 I CA -0.233 61.030 61.300 -0.061 0.000 1.199 25 I CB 0.750 38.690 38.000 -0.100 0.000 1.370 25 I HN 0.765 nan 8.210 nan 0.000 0.470 26 T N 3.276 117.850 114.554 0.034 0.000 2.985 26 T HA 0.059 4.408 4.350 -0.000 0.000 0.266 26 T C 0.964 175.703 174.700 0.065 0.000 1.076 26 T CA 0.100 62.228 62.100 0.045 0.000 1.135 26 T CB -0.023 68.859 68.868 0.023 0.000 0.890 26 T HN 0.168 nan 8.240 nan 0.000 0.480 27 L N 3.489 124.756 121.223 0.074 0.000 2.483 27 L HA 0.274 4.614 4.340 -0.000 0.000 0.276 27 L C -2.019 174.906 176.870 0.092 0.000 1.213 27 L CA -1.849 53.035 54.840 0.073 0.000 0.843 27 L CB -0.257 41.846 42.059 0.073 0.000 1.107 27 L HN 0.120 nan 8.230 nan 0.000 0.487 28 P HA 0.105 nan 4.420 nan 0.000 0.281 28 P C -0.831 176.489 177.300 0.033 0.000 1.286 28 P CA -0.017 63.113 63.100 0.051 0.000 0.772 28 P CB 1.315 33.034 31.700 0.031 0.000 0.862 29 V N 3.641 123.562 119.914 0.011 0.000 2.604 29 V HA 0.340 4.460 4.120 -0.000 0.000 0.305 29 V C -0.691 175.339 176.094 -0.108 0.000 1.043 29 V CA -0.789 61.459 62.300 -0.087 0.000 0.888 29 V CB 2.001 33.673 31.823 -0.252 0.000 0.995 29 V HN 0.379 nan 8.190 nan 0.000 0.429 30 D N 7.706 128.052 120.400 -0.089 0.000 2.295 30 D HA 0.383 5.022 4.640 -0.000 0.000 0.248 30 D C -1.513 174.744 176.300 -0.071 0.000 1.154 30 D CA -2.035 51.951 54.000 -0.023 0.000 0.857 30 D CB 2.147 42.965 40.800 0.029 0.000 1.117 30 D HN 0.388 nan 8.370 nan 0.000 0.468 31 P HA -0.148 nan 4.420 nan 0.000 0.228 31 P C 0.113 177.387 177.300 -0.044 0.000 1.151 31 P CA 0.548 63.599 63.100 -0.082 0.000 0.770 31 P CB -0.065 31.591 31.700 -0.074 0.000 0.786 32 H N 2.282 121.322 119.070 -0.051 0.000 3.157 32 H HA 0.215 4.771 4.556 -0.000 0.000 0.260 32 H C 1.342 176.620 175.328 -0.085 0.000 1.232 32 H CA -0.392 55.631 56.048 -0.042 0.000 1.488 32 H CB -0.817 28.945 29.762 -0.000 0.000 1.548 32 H HN -0.173 nan 8.280 nan 0.000 0.487 33 L N 1.537 122.512 121.223 -0.413 0.000 4.769 33 L HA -0.396 3.944 4.340 -0.000 0.000 0.446 33 L C 0.919 177.626 176.870 -0.272 0.000 1.100 33 L CA 2.232 56.831 54.840 -0.402 0.000 0.941 33 L CB -1.719 40.075 42.059 -0.442 0.000 1.821 33 L HN 0.629 nan 8.230 nan 0.000 0.948 34 E N 0.083 120.161 120.200 -0.202 0.000 2.122 34 E HA 0.064 4.414 4.350 -0.000 0.000 0.190 34 E C 2.184 178.629 176.600 -0.259 0.000 0.977 34 E CA 1.176 57.473 56.400 -0.172 0.000 0.820 34 E CB -0.086 29.541 29.700 -0.122 0.000 0.770 34 E HN 0.736 nan 8.360 nan 0.000 0.462 35 I N 0.955 121.303 120.570 -0.370 0.000 2.226 35 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 35 I C 2.361 178.288 176.117 -0.317 0.000 1.100 35 I CA 1.089 62.086 61.300 -0.506 0.000 1.374 35 I CB -0.288 37.381 38.000 -0.552 0.000 1.057 35 I HN 0.117 nan 8.210 nan 0.000 0.413 36 T N -0.100 114.224 114.554 -0.385 0.000 2.652 36 T HA -0.260 4.089 4.350 -0.000 0.000 0.267 36 T C 1.785 176.216 174.700 -0.448 0.000 1.039 36 T CA 1.830 63.594 62.100 -0.560 0.000 1.153 36 T CB -0.286 68.144 68.868 -0.729 0.000 0.863 36 T HN 0.274 nan 8.240 nan 0.000 0.428 37 E N 0.836 120.869 120.200 -0.277 0.000 2.171 37 E HA -0.103 4.246 4.350 -0.000 0.000 0.197 37 E C 1.905 178.460 176.600 -0.075 0.000 0.997 37 E CA 1.143 57.472 56.400 -0.118 0.000 0.810 37 E CB -0.484 29.182 29.700 -0.056 0.000 0.738 37 E HN 0.585 nan 8.360 nan 0.000 0.467 38 I N -0.279 120.250 120.570 -0.068 0.000 2.277 38 I HA -0.132 4.037 4.170 -0.000 0.000 0.243 38 I C 2.362 178.499 176.117 0.033 0.000 1.094 38 I CA 0.821 62.143 61.300 0.037 0.000 1.393 38 I CB -0.438 37.667 38.000 0.175 0.000 1.078 38 I HN 0.171 nan 8.210 nan 0.000 0.417 39 A N 0.613 123.422 122.820 -0.018 0.000 1.940 39 A HA -0.311 4.008 4.320 -0.000 0.000 0.219 39 A C 1.959 179.495 177.584 -0.080 0.000 1.176 39 A CA 2.406 54.418 52.037 -0.041 0.000 0.631 39 A CB -0.780 18.150 19.000 -0.116 0.000 0.814 39 A HN 0.492 nan 8.150 nan 0.000 0.446 40 D N -0.930 119.323 120.400 -0.245 0.000 2.178 40 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 40 D C 2.159 178.524 176.300 0.107 0.000 0.980 40 D CA 1.299 55.293 54.000 -0.010 0.000 0.842 40 D CB -0.062 40.742 40.800 0.006 0.000 0.948 40 D HN 0.455 nan 8.370 nan 0.000 0.472 41 R N -0.709 119.826 120.500 0.058 0.000 2.075 41 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 41 R C 2.315 178.661 176.300 0.076 0.000 1.114 41 R CA 1.463 57.605 56.100 0.071 0.000 0.972 41 R CB -0.447 29.885 30.300 0.053 0.000 0.869 41 R HN 0.187 nan 8.270 nan 0.000 0.437 42 T N 2.396 116.991 114.554 0.067 0.000 2.684 42 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 42 T C 1.852 176.606 174.700 0.090 0.000 1.036 42 T CA 1.332 63.471 62.100 0.064 0.000 1.148 42 T CB -0.239 68.658 68.868 0.048 0.000 0.863 42 T HN 0.187 nan 8.240 nan 0.000 0.436 43 L N 0.617 121.921 121.223 0.134 0.000 2.027 43 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 43 L C 2.690 179.647 176.870 0.144 0.000 1.074 43 L CA 1.481 56.421 54.840 0.167 0.000 0.745 43 L CB -0.203 42.011 42.059 0.260 0.000 0.898 43 L HN 0.081 nan 8.230 nan 0.000 0.433 44 R N 0.047 120.634 120.500 0.145 0.000 2.200 44 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 44 R C 0.747 177.103 176.300 0.094 0.000 1.127 44 R CA 0.855 57.028 56.100 0.121 0.000 0.989 44 R CB -0.293 30.077 30.300 0.116 0.000 0.869 44 R HN 0.450 nan 8.270 nan 0.000 0.459 45 A N 0.146 123.016 122.820 0.083 0.000 3.218 45 A HA 0.528 4.848 4.320 -0.000 0.000 0.321 45 A C 0.736 178.354 177.584 0.057 0.000 1.012 45 A CA 0.048 52.123 52.037 0.063 0.000 0.948 45 A CB 0.066 19.097 19.000 0.052 0.000 1.050 45 A HN 0.340 nan 8.150 nan 0.000 0.492 46 G N 0.876 109.714 108.800 0.065 0.000 2.846 46 G HA2 0.144 4.103 3.960 -0.000 0.000 0.317 46 G HA3 0.144 4.103 3.960 -0.000 0.000 0.317 46 G C 1.542 176.477 174.900 0.059 0.000 1.210 46 G CA 0.876 46.011 45.100 0.057 0.000 0.972 46 G HN 2.678 nan 8.290 nan 0.000 0.567 47 G N 1.191 110.015 108.800 0.040 0.000 3.255 47 G HA2 0.228 4.188 3.960 -0.000 0.000 0.673 47 G HA3 0.228 4.188 3.960 -0.000 0.000 0.673 47 G C -1.236 173.679 174.900 0.025 0.000 0.995 47 G CA 0.896 46.014 45.100 0.030 0.000 0.988 47 G HN 1.169 nan 8.290 nan 0.000 0.540 48 P HA 0.521 nan 4.420 nan 0.000 0.277 48 P C 0.603 177.881 177.300 -0.037 0.000 1.276 48 P CA 0.314 63.400 63.100 -0.023 0.000 0.788 48 P CB 0.563 32.233 31.700 -0.050 0.000 1.114 49 A N 0.280 123.060 122.820 -0.066 0.000 2.448 49 A HA 0.382 4.702 4.320 -0.000 0.000 0.239 49 A C 0.079 177.581 177.584 -0.138 0.000 1.080 49 A CA -0.070 51.912 52.037 -0.090 0.000 0.779 49 A CB -0.653 18.256 19.000 -0.152 0.000 1.026 49 A HN 0.479 nan 8.150 nan 0.000 0.499 50 L N 1.284 122.413 121.223 -0.156 0.000 2.356 50 L HA 0.445 4.785 4.340 -0.000 0.000 0.277 50 L C -0.914 175.766 176.870 -0.317 0.000 0.996 50 L CA -0.713 53.946 54.840 -0.302 0.000 0.822 50 L CB 1.734 43.547 42.059 -0.411 0.000 1.256 50 L HN 0.633 nan 8.230 nan 0.000 0.413 51 L N 3.733 124.747 121.223 -0.349 0.000 2.337 51 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 51 L C -1.038 175.695 176.870 -0.227 0.000 1.018 51 L CA 0.064 54.776 54.840 -0.214 0.000 0.876 51 L CB 0.368 42.341 42.059 -0.142 0.000 1.236 51 L HN 0.224 nan 8.230 nan 0.000 0.436 52 F N 3.776 123.725 119.950 -0.002 0.000 2.541 52 F HA 0.231 4.757 4.527 -0.000 0.000 0.347 52 F C 1.496 177.308 175.800 0.019 0.000 1.242 52 F CA 0.149 58.154 58.000 0.009 0.000 1.123 52 F CB 0.166 39.175 39.000 0.015 0.000 1.354 52 F HN 0.615 nan 8.300 nan 0.000 0.621 53 E N 1.555 121.840 120.200 0.142 0.000 2.152 53 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 53 E C 0.718 177.387 176.600 0.114 0.000 0.983 53 E CA 0.677 57.136 56.400 0.099 0.000 0.818 53 E CB 0.067 29.796 29.700 0.047 0.000 0.758 53 E HN 0.516 nan 8.360 nan 0.000 0.467 54 N N 1.328 120.110 118.700 0.137 0.000 3.044 54 N HA 0.131 4.870 4.740 -0.000 0.000 0.254 54 N C -2.699 172.882 175.510 0.119 0.000 1.253 54 N CA -1.798 51.319 53.050 0.111 0.000 0.944 54 N CB 0.798 39.337 38.487 0.085 0.000 1.217 54 N HN -0.113 nan 8.380 nan 0.000 0.498 55 P HA 0.135 nan 4.420 nan 0.000 0.287 55 P C -0.875 176.506 177.300 0.134 0.000 1.281 55 P CA -0.223 62.950 63.100 0.121 0.000 0.781 55 P CB 1.257 33.046 31.700 0.148 0.000 0.903 56 K N 1.989 122.444 120.400 0.091 0.000 2.484 56 K HA 0.201 4.521 4.320 -0.000 0.000 0.280 56 K C 1.352 177.960 176.600 0.013 0.000 1.013 56 K CA 0.957 57.272 56.287 0.047 0.000 1.029 56 K CB -0.395 32.116 32.500 0.018 0.000 0.902 56 K HN 0.815 nan 8.250 nan 0.000 0.481 57 G N 2.007 110.736 108.800 -0.119 0.000 2.166 57 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.260 57 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.260 57 G C -0.703 173.794 174.900 -0.671 0.000 0.986 57 G CA 0.368 45.245 45.100 -0.372 0.000 0.683 57 G HN 0.549 nan 8.290 nan 0.000 0.527 58 Y N -0.218 120.074 120.300 -0.015 0.000 2.615 58 Y HA 0.638 5.188 4.550 -0.000 0.000 0.341 58 Y C 0.688 176.588 175.900 0.000 0.000 1.089 58 Y CA -0.470 57.622 58.100 -0.013 0.000 1.049 58 Y CB 1.537 39.987 38.460 -0.017 0.000 1.296 58 Y HN 0.375 nan 8.280 nan 0.000 0.470 62 V N 0.863 120.899 119.914 0.204 0.000 2.444 62 V HA 0.386 4.506 4.120 -0.000 0.000 0.294 62 V C -0.161 176.051 176.094 0.197 0.000 1.022 62 V CA -0.640 61.798 62.300 0.230 0.000 0.850 62 V CB 1.563 33.542 31.823 0.259 0.000 0.992 62 V HN 0.566 nan 8.190 nan 0.000 0.426 63 L N 5.435 126.727 121.223 0.115 0.000 2.292 63 L HA 0.770 5.110 4.340 -0.000 0.000 0.284 63 L C -0.481 176.479 176.870 0.149 0.000 1.065 63 L CA 0.439 55.324 54.840 0.074 0.000 0.806 63 L CB 1.041 43.100 42.059 0.000 0.000 1.175 63 L HN 0.852 nan 8.230 nan 0.000 0.431 64 C N 4.834 124.203 119.300 0.116 0.000 3.082 64 C HA 0.456 4.916 4.460 -0.000 0.000 0.324 64 C C 0.374 175.438 174.990 0.124 0.000 1.210 64 C CA -0.458 58.658 59.018 0.163 0.000 1.366 64 C CB 1.185 29.064 27.740 0.232 0.000 1.756 64 C HN 1.018 nan 8.230 nan 0.000 0.485 65 N N 1.098 119.915 118.700 0.195 0.000 2.747 65 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 65 N C 0.495 176.062 175.510 0.095 0.000 1.107 65 N CA 1.249 54.414 53.050 0.192 0.000 0.707 65 N CB -1.121 37.468 38.487 0.171 0.000 1.054 65 N HN 0.847 nan 8.380 nan 0.000 0.555 66 L N -4.108 117.104 121.223 -0.019 0.000 2.395 66 L HA 0.241 4.581 4.340 -0.000 0.000 0.218 66 L C 0.889 177.735 176.870 -0.041 0.000 1.130 66 L CA 0.910 55.647 54.840 -0.172 0.000 0.826 66 L CB -0.332 41.466 42.059 -0.436 0.000 0.941 66 L HN 0.186 nan 8.230 nan 0.000 0.451 67 F N 0.449 120.536 119.950 0.229 0.000 2.698 67 F HA 0.386 4.913 4.527 -0.000 0.000 0.304 67 F C 2.011 177.920 175.800 0.181 0.000 1.108 67 F CA -0.366 57.762 58.000 0.214 0.000 1.263 67 F CB 0.778 39.937 39.000 0.265 0.000 1.013 67 F HN 0.086 nan 8.300 nan 0.000 0.532 68 G N 0.004 108.990 108.800 0.310 0.000 2.776 68 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.209 68 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.209 68 G C 0.400 175.417 174.900 0.195 0.000 1.145 68 G CA 0.682 45.926 45.100 0.240 0.000 0.791 68 G HN 0.205 nan 8.290 nan 0.000 0.530 69 T N -0.385 114.291 114.554 0.204 0.000 2.971 69 T HA 0.477 4.827 4.350 -0.000 0.000 0.304 69 T C -1.902 172.895 174.700 0.162 0.000 1.038 69 T CA -1.293 60.901 62.100 0.157 0.000 1.007 69 T CB 2.464 71.405 68.868 0.122 0.000 1.055 69 T HN -0.153 nan 8.240 nan 0.000 0.451 70 P HA -0.093 nan 4.420 nan 0.000 0.223 70 P C 1.063 178.422 177.300 0.099 0.000 1.144 70 P CA 0.829 63.992 63.100 0.105 0.000 0.783 70 P CB 0.352 32.100 31.700 0.081 0.000 0.771 71 K N 0.167 120.627 120.400 0.100 0.000 2.228 71 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 71 K C 2.310 178.993 176.600 0.139 0.000 1.051 71 K CA 0.428 56.771 56.287 0.093 0.000 0.960 71 K CB 0.031 32.574 32.500 0.071 0.000 0.743 71 K HN -0.010 nan 8.250 nan 0.000 0.458 72 R N 0.079 120.693 120.500 0.190 0.000 2.093 72 R HA -0.014 4.325 4.340 -0.000 0.000 0.224 72 R C 2.115 178.643 176.300 0.380 0.000 1.101 72 R CA 0.834 57.115 56.100 0.302 0.000 0.979 72 R CB 0.031 30.518 30.300 0.310 0.000 0.877 72 R HN 0.014 nan 8.270 nan 0.000 0.441 73 V N 1.297 121.375 119.914 0.273 0.000 2.626 73 V HA -0.088 4.031 4.120 -0.000 0.000 0.252 73 V C 1.405 177.521 176.094 0.036 0.000 1.067 73 V CA 1.137 63.499 62.300 0.104 0.000 1.081 73 V CB -0.671 31.143 31.823 -0.015 0.000 0.686 73 V HN 0.273 nan 8.190 nan 0.000 0.468 79 Q N 0.940 120.727 119.800 -0.022 0.000 2.245 79 Q HA 0.058 4.398 4.340 -0.000 0.000 0.201 79 Q C 1.719 177.718 176.000 -0.002 0.000 0.955 79 Q CA 1.381 57.172 55.803 -0.020 0.000 0.870 79 Q CB -0.072 28.648 28.738 -0.031 0.000 0.945 79 Q HN 0.963 nan 8.270 nan 0.000 0.461 80 E N 0.497 120.705 120.200 0.013 0.000 3.649 80 E HA -0.270 4.080 4.350 -0.000 0.000 0.305 80 E C -0.727 175.884 176.600 0.019 0.000 0.760 80 E CA 1.555 57.971 56.400 0.025 0.000 1.038 80 E CB -1.487 28.226 29.700 0.021 0.000 1.531 80 E HN 0.231 nan 8.360 nan 0.000 0.459 81 D N -0.490 119.915 120.400 0.010 0.000 2.441 81 D HA 0.326 4.966 4.640 -0.000 0.000 0.231 81 D C 1.028 177.335 176.300 0.011 0.000 1.073 81 D CA -0.027 53.977 54.000 0.008 0.000 0.850 81 D CB 1.748 42.549 40.800 0.002 0.000 1.062 81 D HN 0.041 nan 8.370 nan 0.000 0.524 82 V N 2.654 122.579 119.914 0.018 0.000 2.332 82 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 82 V C 1.880 177.989 176.094 0.024 0.000 1.055 82 V CA 2.073 64.388 62.300 0.024 0.000 1.038 82 V CB -0.643 31.197 31.823 0.028 0.000 0.651 82 V HN 0.728 nan 8.190 nan 0.000 0.450 83 S N 0.010 115.722 115.700 0.020 0.000 2.763 83 S HA 0.430 4.900 4.470 -0.000 0.000 0.237 83 S C 1.302 175.914 174.600 0.020 0.000 0.966 83 S CA 0.373 58.588 58.200 0.025 0.000 1.017 83 S CB 0.327 63.539 63.200 0.019 0.000 0.780 83 S HN 0.505 nan 8.310 nan 0.000 0.476 84 A N 0.825 123.652 122.820 0.011 0.000 2.195 84 A HA 0.431 4.751 4.320 -0.000 0.000 0.210 84 A C 1.616 179.199 177.584 -0.002 0.000 1.165 84 A CA 0.025 52.063 52.037 0.001 0.000 0.806 84 A CB -0.393 18.601 19.000 -0.010 0.000 0.847 84 A HN 0.522 nan 8.150 nan 0.000 0.482 85 L N -0.152 121.076 121.223 0.010 0.000 2.465 85 L HA -0.029 4.310 4.340 -0.000 0.000 0.224 85 L C 2.404 179.284 176.870 0.016 0.000 1.145 85 L CA 0.661 55.508 54.840 0.013 0.000 0.834 85 L CB -0.347 41.730 42.059 0.031 0.000 0.944 85 L HN 0.263 nan 8.230 nan 0.000 0.451 86 R N -0.069 120.446 120.500 0.025 0.000 2.096 86 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 86 R C 1.811 178.121 176.300 0.017 0.000 1.127 86 R CA 1.002 57.121 56.100 0.033 0.000 0.968 86 R CB -0.358 29.969 30.300 0.045 0.000 0.861 86 R HN 0.401 nan 8.270 nan 0.000 0.440 87 E N 0.587 120.791 120.200 0.007 0.000 2.204 87 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 87 E C 2.147 178.743 176.600 -0.008 0.000 0.989 87 E CA 0.667 57.066 56.400 -0.001 0.000 0.824 87 E CB -0.059 29.636 29.700 -0.010 0.000 0.756 87 E HN 0.120 nan 8.360 nan 0.000 0.477 88 V N 0.577 120.485 119.914 -0.010 0.000 2.453 88 V HA -0.126 3.993 4.120 -0.000 0.000 0.247 88 V C 2.385 178.487 176.094 0.014 0.000 1.048 88 V CA 1.819 64.118 62.300 -0.001 0.000 1.049 88 V CB -0.951 30.883 31.823 0.018 0.000 0.672 88 V HN 0.289 nan 8.190 nan 0.000 0.457 89 G N 0.286 109.078 108.800 -0.014 0.000 2.422 89 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 89 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 89 G C 1.615 176.504 174.900 -0.019 0.000 1.146 89 G CA 0.680 45.747 45.100 -0.055 0.000 0.769 89 G HN 0.512 nan 8.290 nan 0.000 0.547 90 K N 0.044 120.445 120.400 0.001 0.000 2.148 90 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 90 K C 2.265 178.869 176.600 0.007 0.000 1.050 90 K CA 0.321 56.614 56.287 0.011 0.000 0.942 90 K CB -0.276 32.232 32.500 0.014 0.000 0.724 90 K HN 0.185 nan 8.250 nan 0.000 0.446 91 L N 1.595 122.820 121.223 0.004 0.000 2.079 91 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 91 L C 0.539 177.417 176.870 0.012 0.000 1.081 91 L CA 1.212 56.056 54.840 0.006 0.000 0.752 91 L CB -0.540 41.521 42.059 0.003 0.000 0.896 91 L HN 0.202 nan 8.230 nan 0.000 0.433 92 L N 1.500 122.730 121.223 0.011 0.000 2.774 92 L HA 0.014 4.353 4.340 -0.000 0.000 0.284 92 L C 0.643 177.516 176.870 0.005 0.000 1.149 92 L CA 0.552 55.396 54.840 0.007 0.000 1.069 92 L CB -1.307 40.741 42.059 -0.017 0.000 1.407 92 L HN 0.210 nan 8.230 nan 0.000 0.460 122 T N -1.873 112.642 114.554 -0.066 0.000 2.718 122 T HA 0.689 5.039 4.350 -0.000 0.000 0.267 122 T C -0.428 174.225 174.700 -0.078 0.000 0.957 122 T CA -0.633 61.405 62.100 -0.104 0.000 1.025 122 T CB 1.738 70.468 68.868 -0.230 0.000 1.355 122 T HN 0.671 nan 8.240 nan 0.000 0.572 123 K N 0.671 121.020 120.400 -0.086 0.000 2.814 123 K HA 0.243 4.563 4.320 -0.000 0.000 0.205 123 K C -0.335 176.227 176.600 -0.064 0.000 1.093 123 K CA -0.572 55.679 56.287 -0.059 0.000 1.035 123 K CB 0.740 33.215 32.500 -0.041 0.000 1.220 123 K HN 0.467 nan 8.250 nan 0.000 0.576 124 R N 4.380 124.839 120.500 -0.068 0.000 2.630 124 R HA 0.015 4.355 4.340 -0.000 0.000 0.286 124 R C -0.348 175.929 176.300 -0.039 0.000 1.391 124 R CA -0.042 56.021 56.100 -0.062 0.000 1.027 124 R CB -0.439 29.826 30.300 -0.058 0.000 1.099 124 R HN 0.433 nan 8.270 nan 0.000 0.525 125 L N 3.254 124.456 121.223 -0.034 0.000 2.483 125 L HA 0.041 4.381 4.340 -0.000 0.000 0.275 125 L C 0.728 177.589 176.870 -0.016 0.000 1.220 125 L CA 0.868 55.695 54.840 -0.021 0.000 0.833 125 L CB 0.225 42.274 42.059 -0.016 0.000 1.102 125 L HN 0.254 nan 8.230 nan 0.000 0.490 126 R N 1.693 122.187 120.500 -0.010 0.000 2.247 126 R HA 0.570 4.910 4.340 -0.000 0.000 0.329 126 R C -0.286 176.013 176.300 -0.001 0.000 1.014 126 R CA -0.050 56.046 56.100 -0.005 0.000 0.907 126 R CB 0.776 31.073 30.300 -0.004 0.000 1.146 126 R HN 0.782 nan 8.270 nan 0.000 0.499 127 G N 1.943 110.744 108.800 0.001 0.000 3.129 127 G HA2 0.044 4.003 3.960 -0.000 0.000 0.385 127 G HA3 0.044 4.003 3.960 -0.000 0.000 0.385 127 G C -0.457 174.447 174.900 0.006 0.000 1.046 127 G CA -0.299 44.804 45.100 0.006 0.000 0.933 127 G HN 0.730 nan 8.290 nan 0.000 0.424 128 A N 5.032 127.858 122.820 0.009 0.000 2.281 128 A HA 0.971 5.291 4.320 -0.000 0.000 0.329 128 A C -0.137 177.456 177.584 0.015 0.000 1.122 128 A CA -0.921 51.123 52.037 0.011 0.000 0.850 128 A CB 1.217 20.224 19.000 0.012 0.000 1.207 128 A HN 0.499 nan 8.150 nan 0.000 0.495 129 P HA -0.118 nan 4.420 nan 0.000 0.218 129 P C 1.319 178.632 177.300 0.023 0.000 1.149 129 P CA 1.690 64.800 63.100 0.017 0.000 0.817 129 P CB -0.531 31.177 31.700 0.013 0.000 0.785 130 C N -1.243 118.073 119.300 0.027 0.000 2.511 130 C HA 0.147 4.606 4.460 -0.000 0.000 0.300 130 C C 1.498 176.512 174.990 0.040 0.000 1.436 130 C CA -0.240 58.799 59.018 0.036 0.000 1.628 130 C CB -2.449 25.316 27.740 0.041 0.000 1.599 130 C HN 0.243 nan 8.230 nan 0.000 0.599 131 Q N -0.723 119.098 119.800 0.034 0.000 2.086 131 Q HA 0.097 4.437 4.340 -0.000 0.000 0.220 131 Q C 1.448 177.468 176.000 0.033 0.000 0.792 131 Q CA -0.078 55.748 55.803 0.038 0.000 1.062 131 Q CB 0.152 28.911 28.738 0.034 0.000 1.198 131 Q HN 0.719 nan 8.270 nan 0.000 0.466 132 Q N 0.761 120.578 119.800 0.029 0.000 2.364 132 Q HA -0.031 4.309 4.340 -0.000 0.000 0.209 132 Q C -0.090 175.926 176.000 0.027 0.000 0.977 132 Q CA 1.024 56.842 55.803 0.025 0.000 0.885 132 Q CB 0.233 28.984 28.738 0.022 0.000 0.941 132 Q HN 0.076 nan 8.270 nan 0.000 0.464 133 K N 0.334 120.753 120.400 0.032 0.000 2.468 133 K HA 0.588 4.908 4.320 -0.000 0.000 0.252 133 K C -1.330 175.294 176.600 0.040 0.000 0.932 133 K CA -0.477 55.829 56.287 0.031 0.000 0.794 133 K CB 2.283 34.800 32.500 0.028 0.000 1.241 133 K HN -0.122 nan 8.250 nan 0.000 0.428 134 I N 1.883 122.476 120.570 0.037 0.000 2.692 134 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 134 I C -0.847 175.283 176.117 0.021 0.000 1.200 134 I CA -1.031 60.300 61.300 0.050 0.000 1.036 134 I CB 2.245 40.290 38.000 0.075 0.000 1.258 134 I HN 0.357 nan 8.210 nan 0.000 0.421 135 V N 1.638 121.551 119.914 -0.000 0.000 3.130 135 V HA 1.016 5.136 4.120 -0.000 0.000 0.310 135 V C -0.404 175.583 176.094 -0.178 0.000 1.158 135 V CA -0.526 61.738 62.300 -0.060 0.000 1.029 135 V CB 1.715 33.512 31.823 -0.043 0.000 1.057 135 V HN 0.899 nan 8.190 nan 0.000 0.436 136 S N -0.384 115.176 115.700 -0.233 0.000 2.703 136 S HA 0.937 5.406 4.470 -0.000 0.000 0.273 136 S C 0.481 174.951 174.600 -0.216 0.000 1.178 136 S CA 0.217 58.172 58.200 -0.409 0.000 0.838 136 S CB 0.718 63.455 63.200 -0.772 0.000 1.178 136 S HN 2.837 nan 8.310 nan 0.000 0.494 137 G N 1.309 109.996 108.800 -0.188 0.000 2.594 137 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.297 137 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.297 137 G C -0.290 174.570 174.900 -0.066 0.000 1.273 137 G CA 0.774 45.823 45.100 -0.084 0.000 0.974 137 G HN 0.917 nan 8.290 nan 0.000 0.552 138 D N 1.035 121.408 120.400 -0.044 0.000 2.346 138 D HA 0.272 4.912 4.640 -0.000 0.000 0.248 138 D C 1.035 177.310 176.300 -0.042 0.000 1.173 138 D CA 0.541 54.519 54.000 -0.037 0.000 0.878 138 D CB 0.175 40.961 40.800 -0.023 0.000 0.919 138 D HN 0.346 nan 8.370 nan 0.000 0.513 139 D N -1.098 119.269 120.400 -0.056 0.000 2.395 139 D HA 0.041 4.681 4.640 -0.000 0.000 0.213 139 D C 1.832 178.099 176.300 -0.055 0.000 1.110 139 D CA -0.011 53.959 54.000 -0.051 0.000 0.835 139 D CB 0.748 41.516 40.800 -0.054 0.000 0.965 139 D HN -0.081 nan 8.370 nan 0.000 0.505 140 V N 0.451 120.325 119.914 -0.066 0.000 2.220 140 V HA -0.189 3.931 4.120 -0.000 0.000 0.242 140 V C 0.511 176.576 176.094 -0.049 0.000 1.041 140 V CA 1.435 63.695 62.300 -0.066 0.000 0.990 140 V CB -0.519 31.253 31.823 -0.084 0.000 0.634 140 V HN 0.351 nan 8.190 nan 0.000 0.452 141 D N -1.491 118.880 120.400 -0.049 0.000 4.201 141 D HA -0.174 4.466 4.640 -0.000 0.000 0.238 141 D C 0.206 176.486 176.300 -0.033 0.000 1.070 141 D CA 0.404 54.383 54.000 -0.035 0.000 1.208 141 D CB -0.827 39.959 40.800 -0.023 0.000 0.825 141 D HN 0.284 nan 8.370 nan 0.000 0.404 142 L N 2.470 123.669 121.223 -0.041 0.000 2.418 142 L HA 0.079 4.419 4.340 -0.000 0.000 0.218 142 L C 1.910 178.762 176.870 -0.031 0.000 1.125 142 L CA 0.402 55.212 54.840 -0.050 0.000 0.835 142 L CB -0.243 41.779 42.059 -0.061 0.000 0.953 142 L HN 0.352 nan 8.230 nan 0.000 0.454 143 N N 0.113 118.817 118.700 0.006 0.000 2.453 143 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 143 N C 1.787 177.390 175.510 0.154 0.000 1.041 143 N CA 0.535 53.625 53.050 0.066 0.000 0.900 143 N CB -0.178 38.335 38.487 0.043 0.000 0.961 143 N HN 0.244 nan 8.380 nan 0.000 0.443 144 R N 0.532 121.082 120.500 0.084 0.000 2.193 144 R HA 0.137 4.477 4.340 -0.000 0.000 0.213 144 R C -0.050 176.318 176.300 0.114 0.000 1.055 144 R CA 0.283 56.453 56.100 0.116 0.000 0.995 144 R CB 0.102 30.428 30.300 0.043 0.000 0.893 144 R HN 0.152 nan 8.270 nan 0.000 0.459 145 I N 3.213 123.752 120.570 -0.053 0.000 2.474 145 I HA 0.144 4.314 4.170 -0.000 0.000 0.287 145 I C -1.587 174.161 176.117 -0.616 0.000 1.048 145 I CA -2.292 58.837 61.300 -0.285 0.000 1.383 145 I CB 1.608 39.391 38.000 -0.361 0.000 1.412 145 I HN 0.004 nan 8.210 nan 0.000 0.531 146 P HA 0.029 nan 4.420 nan 0.000 0.271 146 P C 0.503 177.317 177.300 -0.811 0.000 1.535 146 P CA 0.178 62.504 63.100 -1.290 0.000 0.820 146 P CB -0.111 31.165 31.700 -0.706 0.000 1.606 150 C N 1.110 120.225 119.300 -0.309 0.000 2.541 150 C HA 0.303 4.763 4.460 -0.000 0.000 0.284 150 C C 0.462 174.766 174.990 -1.143 0.000 1.341 150 C CA -0.190 58.388 59.018 -0.734 0.000 1.732 150 C CB -0.524 26.806 27.740 -0.683 0.000 2.126 150 C HN 0.795 nan 8.230 nan 0.000 0.505 151 W N 0.916 122.254 121.300 0.064 0.000 2.819 151 W HA 0.385 5.044 4.660 -0.000 0.000 0.337 151 W C -1.667 174.920 176.519 0.114 0.000 1.077 151 W CA -2.125 55.269 57.345 0.082 0.000 1.226 151 W CB 0.211 29.730 29.460 0.097 0.000 1.419 151 W HN -0.184 nan 8.180 nan 0.000 0.502 152 P HA -0.245 nan 4.420 nan 0.000 0.221 152 P C 0.626 178.051 177.300 0.208 0.000 1.141 152 P CA 1.736 64.962 63.100 0.211 0.000 0.794 152 P CB 0.489 32.305 31.700 0.193 0.000 0.764 153 E N -0.743 119.645 120.200 0.312 0.000 2.538 153 E HA 0.097 4.446 4.350 -0.000 0.000 0.207 153 E C -0.310 176.371 176.600 0.134 0.000 1.002 153 E CA -0.231 56.206 56.400 0.063 0.000 0.952 153 E CB -0.318 29.134 29.700 -0.414 0.000 1.031 153 E HN 0.036 nan 8.360 nan 0.000 0.476 154 D N 0.134 120.738 120.400 0.341 0.000 2.424 154 D HA 0.091 4.731 4.640 -0.000 0.000 0.244 154 D C 1.086 177.396 176.300 0.016 0.000 1.134 154 D CA 0.501 54.660 54.000 0.264 0.000 0.881 154 D CB 1.450 42.522 40.800 0.454 0.000 1.191 154 D HN 0.178 nan 8.370 nan 0.000 0.445 155 A N 2.487 125.108 122.820 -0.331 0.000 1.884 155 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 155 A C 0.954 178.522 177.584 -0.027 0.000 1.197 155 A CA 2.263 54.140 52.037 -0.266 0.000 0.637 155 A CB -0.214 18.488 19.000 -0.496 0.000 0.827 155 A HN 0.700 nan 8.150 nan 0.000 0.450 156 A N -3.228 119.677 122.820 0.142 0.000 2.493 156 A HA 0.629 4.949 4.320 -0.000 0.000 0.300 156 A C -3.117 174.656 177.584 0.315 0.000 1.152 156 A CA -1.078 51.092 52.037 0.221 0.000 0.643 156 A CB -0.222 18.881 19.000 0.172 0.000 1.316 156 A HN 0.028 nan 8.150 nan 0.000 0.469 157 P HA 0.476 nan 4.420 nan 0.000 0.269 157 P C -1.058 176.294 177.300 0.088 0.000 1.215 157 P CA 0.158 63.332 63.100 0.123 0.000 0.780 157 P CB 0.474 32.215 31.700 0.068 0.000 0.898 158 L N 2.483 123.696 121.223 -0.016 0.000 2.409 158 L HA 0.517 4.857 4.340 -0.000 0.000 0.262 158 L C -1.280 175.552 176.870 -0.063 0.000 0.992 158 L CA -0.465 54.292 54.840 -0.138 0.000 0.817 158 L CB 1.790 43.570 42.059 -0.466 0.000 1.350 158 L HN 0.206 nan 8.230 nan 0.000 0.411 159 I N 3.883 124.427 120.570 -0.043 0.000 2.307 159 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 159 I C 0.839 176.930 176.117 -0.044 0.000 1.054 159 I CA -0.168 61.160 61.300 0.048 0.000 1.218 159 I CB 1.190 39.255 38.000 0.109 0.000 1.398 159 I HN 0.789 nan 8.210 nan 0.000 0.475 160 T N 2.620 117.120 114.554 -0.089 0.000 2.701 160 T HA -0.107 4.242 4.350 -0.000 0.000 0.263 160 T C 0.867 175.398 174.700 -0.281 0.000 1.040 160 T CA 1.118 63.087 62.100 -0.219 0.000 1.147 160 T CB -0.083 68.626 68.868 -0.264 0.000 0.865 160 T HN 0.463 nan 8.240 nan 0.000 0.426 161 W N 1.276 122.478 121.300 -0.164 0.000 1.763 161 W HA 0.475 5.135 4.660 -0.000 0.000 0.619 161 W C 0.961 177.431 176.519 -0.081 0.000 1.755 161 W CA 0.573 57.826 57.345 -0.153 0.000 1.933 161 W CB -0.403 28.892 29.460 -0.274 0.000 3.002 161 W HN 0.596 nan 8.180 nan 0.000 0.782 162 G N 0.618 109.633 108.800 0.358 0.000 3.322 162 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.686 162 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.686 162 G C -1.556 173.439 174.900 0.159 0.000 1.015 162 G CA -1.196 44.026 45.100 0.202 0.000 0.826 162 G HN 0.236 nan 8.290 nan 0.000 0.538 163 L N 3.507 124.804 121.223 0.124 0.000 2.302 163 L HA 0.340 4.680 4.340 -0.000 0.000 0.285 163 L C 1.228 178.129 176.870 0.051 0.000 1.090 163 L CA -0.034 54.848 54.840 0.071 0.000 0.866 163 L CB -0.165 41.925 42.059 0.051 0.000 1.244 163 L HN 0.598 nan 8.230 nan 0.000 0.435 164 T N 2.714 117.299 114.554 0.052 0.000 2.799 164 T HA 0.351 4.700 4.350 -0.000 0.000 0.296 164 T C 0.528 175.274 174.700 0.075 0.000 0.947 164 T CA -0.143 62.000 62.100 0.072 0.000 1.141 164 T CB 1.204 70.200 68.868 0.213 0.000 0.891 164 T HN 0.202 nan 8.240 nan 0.000 0.533 165 V N 4.618 124.550 119.914 0.031 0.000 2.513 165 V HA 0.753 4.873 4.120 -0.000 0.000 0.299 165 V C 0.339 176.430 176.094 -0.005 0.000 1.035 165 V CA -0.826 61.498 62.300 0.040 0.000 0.889 165 V CB 1.830 33.689 31.823 0.061 0.000 0.988 165 V HN 1.106 nan 8.190 nan 0.000 0.440 166 T N 1.882 116.455 114.554 0.033 0.000 2.993 166 T HA 0.703 5.053 4.350 -0.000 0.000 0.312 166 T C -0.914 173.828 174.700 0.069 0.000 1.115 166 T CA -0.936 61.165 62.100 0.001 0.000 1.027 166 T CB 2.048 71.017 68.868 0.167 0.000 1.116 166 T HN 0.517 nan 8.240 nan 0.000 0.464 167 R N 1.489 122.012 120.500 0.039 0.000 2.343 167 R HA 0.686 5.025 4.340 -0.000 0.000 0.320 167 R C 0.726 177.161 176.300 0.225 0.000 0.956 167 R CA -0.059 56.104 56.100 0.105 0.000 0.836 167 R CB 0.873 31.204 30.300 0.051 0.000 1.151 167 R HN 1.079 nan 8.270 nan 0.000 0.450 168 G N 3.708 112.624 108.800 0.193 0.000 2.664 168 G HA2 0.114 4.074 3.960 -0.000 0.000 0.242 168 G HA3 0.114 4.074 3.960 -0.000 0.000 0.242 168 G C -1.579 173.455 174.900 0.223 0.000 1.225 168 G CA -0.976 44.228 45.100 0.174 0.000 0.849 168 G HN 0.658 nan 8.290 nan 0.000 0.581 169 P HA -0.019 nan 4.420 nan 0.000 0.242 169 P C 0.252 177.683 177.300 0.219 0.000 1.197 169 P CA 1.111 64.368 63.100 0.262 0.000 0.765 169 P CB 0.199 32.008 31.700 0.183 0.000 0.936 170 H N -0.061 119.115 119.070 0.176 0.000 4.112 170 H HA 0.138 4.694 4.556 -0.000 0.000 0.171 170 H C 0.870 176.260 175.328 0.103 0.000 1.324 170 H CA -0.746 55.371 56.048 0.116 0.000 1.445 170 H CB -0.198 29.611 29.762 0.078 0.000 1.557 170 H HN -0.122 nan 8.280 nan 0.000 0.421 171 K N 2.438 122.987 120.400 0.248 0.000 2.402 171 K HA -0.091 4.229 4.320 -0.000 0.000 0.265 171 K C 0.115 176.794 176.600 0.131 0.000 0.978 171 K CA 0.404 56.781 56.287 0.150 0.000 0.913 171 K CB 0.213 32.786 32.500 0.121 0.000 0.954 171 K HN 0.735 nan 8.250 nan 0.000 0.511 172 E N 0.624 120.885 120.200 0.101 0.000 2.423 172 E HA 0.090 4.439 4.350 -0.000 0.000 0.198 172 E C -0.332 176.316 176.600 0.080 0.000 1.038 172 E CA -0.471 55.982 56.400 0.088 0.000 1.011 172 E CB 0.164 29.906 29.700 0.070 0.000 1.118 172 E HN 0.343 nan 8.360 nan 0.000 0.451 173 R N 2.509 123.062 120.500 0.088 0.000 2.310 173 R HA 0.118 4.458 4.340 -0.000 0.000 0.324 173 R C -0.447 175.913 176.300 0.099 0.000 0.955 173 R CA -0.357 55.797 56.100 0.089 0.000 0.830 173 R CB 0.784 31.133 30.300 0.081 0.000 1.154 173 R HN 0.197 nan 8.270 nan 0.000 0.458 174 Q N 2.422 122.290 119.800 0.114 0.000 2.256 174 Q HA 0.397 4.737 4.340 -0.000 0.000 0.232 174 Q C -0.572 175.496 176.000 0.112 0.000 0.965 174 Q CA -0.837 55.036 55.803 0.117 0.000 0.908 174 Q CB 1.150 29.966 28.738 0.129 0.000 1.209 174 Q HN 0.408 nan 8.270 nan 0.000 0.489 175 N N 0.523 119.277 118.700 0.090 0.000 2.404 175 N HA 0.359 5.099 4.740 -0.000 0.000 0.297 175 N C -0.479 175.052 175.510 0.035 0.000 1.163 175 N CA -0.519 52.565 53.050 0.057 0.000 0.864 175 N CB 1.803 40.328 38.487 0.063 0.000 1.247 175 N HN 0.460 nan 8.380 nan 0.000 0.510 176 L N 0.260 121.467 121.223 -0.026 0.000 2.956 176 L HA 0.446 4.786 4.340 -0.000 0.000 0.188 176 L C 0.620 177.463 176.870 -0.045 0.000 1.348 176 L CA 0.643 55.438 54.840 -0.075 0.000 2.334 176 L CB -1.056 40.876 42.059 -0.212 0.000 2.247 176 L HN 0.811 nan 8.230 nan 0.000 1.007 177 G N 1.322 110.028 108.800 -0.155 0.000 2.778 177 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.686 177 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.686 177 G C -0.673 173.882 174.900 -0.575 0.000 1.309 177 G CA -0.550 44.330 45.100 -0.366 0.000 0.904 177 G HN 0.183 nan 8.290 nan 0.000 0.593 178 I N 2.257 122.418 120.570 -0.681 0.000 2.336 178 I HA 0.528 4.697 4.170 -0.000 0.000 0.292 178 I C -0.312 175.356 176.117 -0.747 0.000 0.991 178 I CA -0.834 60.158 61.300 -0.514 0.000 1.227 178 I CB 1.026 38.840 38.000 -0.311 0.000 1.366 178 I HN 0.433 nan 8.210 nan 0.000 0.466 179 Y N 4.442 124.701 120.300 -0.069 0.000 2.457 179 Y HA 0.449 4.998 4.550 -0.000 0.000 0.343 179 Y C 0.427 176.228 175.900 -0.164 0.000 0.994 179 Y CA -1.175 56.856 58.100 -0.115 0.000 1.031 179 Y CB 1.513 39.916 38.460 -0.094 0.000 1.246 179 Y HN 0.511 nan 8.280 nan 0.000 0.449 180 R N 1.477 121.942 120.500 -0.058 0.000 2.438 180 R HA 0.513 4.853 4.340 -0.000 0.000 0.287 180 R C -1.322 174.890 176.300 -0.147 0.000 1.077 180 R CA -0.623 55.394 56.100 -0.139 0.000 1.034 180 R CB 0.608 30.783 30.300 -0.209 0.000 0.993 180 R HN 0.638 nan 8.270 nan 0.000 0.459 181 Q N 2.097 121.827 119.800 -0.116 0.000 2.327 181 Q HA 0.144 4.484 4.340 -0.000 0.000 0.270 181 Q C -1.201 174.764 176.000 -0.058 0.000 1.022 181 Q CA -0.564 55.188 55.803 -0.085 0.000 0.773 181 Q CB 2.337 31.064 28.738 -0.019 0.000 1.251 181 Q HN 0.627 nan 8.270 nan 0.000 0.457 182 Q N 2.621 122.413 119.800 -0.014 0.000 2.304 182 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 182 Q C -0.912 175.140 176.000 0.087 0.000 0.965 182 Q CA -0.681 55.181 55.803 0.098 0.000 0.898 182 Q CB 0.690 29.620 28.738 0.319 0.000 1.196 182 Q HN 0.590 nan 8.270 nan 0.000 0.402 183 L N 6.888 128.165 121.223 0.090 0.000 2.361 183 L HA 0.186 4.526 4.340 -0.000 0.000 0.278 183 L C -0.096 176.809 176.870 0.059 0.000 1.113 183 L CA 0.658 55.530 54.840 0.053 0.000 0.849 183 L CB 0.531 42.613 42.059 0.039 0.000 1.155 183 L HN 0.805 nan 8.230 nan 0.000 0.452 184 I N 2.412 122.999 120.570 0.029 0.000 3.817 184 I HA 0.764 4.934 4.170 -0.000 0.000 0.322 184 I C 0.159 176.276 176.117 0.000 0.000 1.512 184 I CA -0.081 61.233 61.300 0.024 0.000 1.066 184 I CB 0.270 38.288 38.000 0.030 0.000 1.336 184 I HN 0.650 nan 8.210 nan 0.000 0.539 185 G N 0.834 109.627 108.800 -0.012 0.000 2.355 185 G HA2 0.101 4.061 3.960 -0.000 0.000 0.296 185 G HA3 0.101 4.061 3.960 -0.000 0.000 0.296 185 G C -0.370 174.507 174.900 -0.038 0.000 1.507 185 G CA -0.585 44.499 45.100 -0.026 0.000 0.823 185 G HN -0.000 nan 8.290 nan 0.000 0.569 186 K N -0.484 119.894 120.400 -0.037 0.000 2.281 186 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 186 K C 0.972 177.531 176.600 -0.068 0.000 1.046 186 K CA 1.743 58.005 56.287 -0.042 0.000 0.938 186 K CB -0.209 32.270 32.500 -0.035 0.000 0.737 186 K HN 0.622 nan 8.250 nan 0.000 0.458 187 N N -0.686 117.959 118.700 -0.092 0.000 2.604 187 N HA 0.098 4.837 4.740 -0.000 0.000 0.284 187 N C -1.476 173.911 175.510 -0.204 0.000 1.716 187 N CA -0.624 52.336 53.050 -0.150 0.000 0.859 187 N CB 0.676 39.078 38.487 -0.141 0.000 1.403 187 N HN -0.192 nan 8.380 nan 0.000 0.501 188 K N 1.587 121.891 120.400 -0.160 0.000 2.553 188 K HA 0.447 4.767 4.320 -0.000 0.000 0.250 188 K C -1.449 175.098 176.600 -0.088 0.000 0.953 188 K CA -0.328 55.868 56.287 -0.151 0.000 0.800 188 K CB 2.896 35.339 32.500 -0.096 0.000 1.243 188 K HN 0.155 nan 8.250 nan 0.000 0.435 189 L N 3.194 124.379 121.223 -0.064 0.000 2.388 189 L HA 0.577 4.916 4.340 -0.000 0.000 0.264 189 L C 0.218 177.095 176.870 0.012 0.000 0.998 189 L CA -0.881 53.966 54.840 0.011 0.000 0.817 189 L CB 1.907 44.016 42.059 0.084 0.000 1.338 189 L HN 0.449 nan 8.230 nan 0.000 0.414 193 W N 5.548 126.571 121.300 -0.461 0.000 2.546 193 W HA 0.098 4.758 4.660 -0.000 0.000 0.323 193 W C 1.014 177.459 176.519 -0.123 0.000 1.272 193 W CA -0.536 56.551 57.345 -0.430 0.000 1.404 193 W CB 0.115 29.390 29.460 -0.309 0.000 1.411 193 W HN 0.504 nan 8.180 nan 0.000 0.480 194 L N 2.777 124.092 121.223 0.153 0.000 1.871 194 L HA -0.193 4.146 4.340 -0.000 0.000 0.229 194 L C 1.886 178.784 176.870 0.046 0.000 1.092 194 L CA 1.562 56.476 54.840 0.124 0.000 0.815 194 L CB -1.756 40.365 42.059 0.105 0.000 0.891 194 L HN 0.312 nan 8.230 nan 0.000 0.428 195 S N -1.549 114.128 115.700 -0.039 0.000 2.658 195 S HA -0.057 4.413 4.470 -0.000 0.000 0.249 195 S C 0.926 175.385 174.600 -0.235 0.000 1.363 195 S CA -0.184 57.867 58.200 -0.249 0.000 0.964 195 S CB 0.039 63.148 63.200 -0.152 0.000 0.973 195 S HN 0.403 nan 8.310 nan 0.000 0.588 196 H N 0.551 119.627 119.070 0.009 0.000 2.549 196 H HA 0.267 4.823 4.556 -0.000 0.000 0.279 196 H C 0.539 175.830 175.328 -0.062 0.000 1.018 196 H CA -0.103 55.933 56.048 -0.020 0.000 1.175 196 H CB -0.080 29.675 29.762 -0.013 0.000 1.485 196 H HN 0.346 nan 8.280 nan 0.000 0.543 197 R N 0.673 121.174 120.500 0.001 0.000 2.711 197 R HA 0.538 4.877 4.340 -0.000 0.000 0.284 197 R C 0.294 176.567 176.300 -0.045 0.000 0.968 197 R CA 0.129 56.215 56.100 -0.024 0.000 0.924 197 R CB 1.544 31.836 30.300 -0.013 0.000 1.162 197 R HN 0.316 nan 8.270 nan 0.000 0.465 198 G N 1.462 110.229 108.800 -0.055 0.000 2.513 198 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.227 198 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.227 198 G C 0.795 175.625 174.900 -0.117 0.000 1.176 198 G CA 0.442 45.522 45.100 -0.034 0.000 0.967 198 G HN 0.896 nan 8.290 nan 0.000 0.587 199 G N 0.374 109.132 108.800 -0.070 0.000 2.505 199 G HA2 0.138 4.098 3.960 -0.000 0.000 0.220 199 G HA3 0.138 4.098 3.960 -0.000 0.000 0.220 199 G C 2.161 176.524 174.900 -0.894 0.000 1.145 199 G CA 3.491 48.452 45.100 -0.232 0.000 0.761 199 G HN 2.004 nan 8.290 nan 0.000 0.571 200 A N 0.118 122.181 122.820 -1.262 0.000 1.930 200 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 200 A C 2.352 179.547 177.584 -0.649 0.000 1.175 200 A CA 1.630 52.818 52.037 -1.416 0.000 0.627 200 A CB -0.391 18.206 19.000 -0.672 0.000 0.815 200 A HN 0.413 nan 8.150 nan 0.000 0.443 201 L N 0.421 121.420 121.223 -0.372 0.000 2.042 201 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 201 L C 1.694 178.420 176.870 -0.239 0.000 1.076 201 L CA 2.560 57.273 54.840 -0.212 0.000 0.749 201 L CB -0.779 41.209 42.059 -0.119 0.000 0.893 201 L HN 0.427 nan 8.230 nan 0.000 0.432 202 D N -1.549 118.696 120.400 -0.258 0.000 2.108 202 D HA -0.323 4.317 4.640 -0.000 0.000 0.190 202 D C 2.017 177.990 176.300 -0.544 0.000 0.995 202 D CA 2.222 56.077 54.000 -0.243 0.000 0.834 202 D CB -0.582 40.226 40.800 0.013 0.000 0.967 202 D HN 0.489 nan 8.370 nan 0.000 0.446 203 Y N 1.038 120.756 120.300 -0.970 0.000 2.181 203 Y HA -0.356 4.194 4.550 -0.000 0.000 0.284 203 Y C 2.457 178.108 175.900 -0.415 0.000 1.179 203 Y CA 2.008 59.489 58.100 -1.030 0.000 1.179 203 Y CB -0.040 38.132 38.460 -0.480 0.000 0.973 203 Y HN 0.038 nan 8.280 nan 0.000 0.519 204 Q N 0.259 119.855 119.800 -0.340 0.000 1.967 204 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 204 Q C 2.079 177.936 176.000 -0.240 0.000 0.985 204 Q CA 2.157 57.801 55.803 -0.265 0.000 0.839 204 Q CB -0.204 28.444 28.738 -0.152 0.000 0.906 204 Q HN 0.639 nan 8.270 nan 0.000 0.423 205 E N 0.036 120.116 120.200 -0.201 0.000 2.058 205 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 205 E C 1.742 178.242 176.600 -0.166 0.000 0.997 205 E CA 1.146 57.443 56.400 -0.171 0.000 0.801 205 E CB -0.572 28.997 29.700 -0.218 0.000 0.746 205 E HN 0.590 nan 8.360 nan 0.000 0.450 206 W N 1.516 122.587 121.300 -0.381 0.000 2.321 206 W HA -0.277 4.383 4.660 -0.000 0.000 0.306 206 W C 1.863 178.270 176.519 -0.186 0.000 1.217 206 W CA 1.418 58.594 57.345 -0.282 0.000 1.257 206 W CB -0.625 28.532 29.460 -0.505 0.000 1.145 206 W HN 0.123 nan 8.180 nan 0.000 0.509 207 C N 0.651 119.843 119.300 -0.181 0.000 2.432 207 C HA -0.048 4.412 4.460 -0.000 0.000 0.280 207 C C 3.148 178.023 174.990 -0.191 0.000 1.353 207 C CA 1.463 60.358 59.018 -0.205 0.000 1.766 207 C CB -1.607 25.956 27.740 -0.296 0.000 1.924 207 C HN 0.451 nan 8.230 nan 0.000 0.509 208 A N 0.676 123.391 122.820 -0.175 0.000 1.840 208 A HA 0.192 4.512 4.320 -0.000 0.000 0.214 208 A C 2.380 179.872 177.584 -0.154 0.000 1.198 208 A CA 1.795 53.753 52.037 -0.132 0.000 0.608 208 A CB -1.082 17.864 19.000 -0.091 0.000 0.839 208 A HN 0.501 nan 8.150 nan 0.000 0.443 209 A N -0.921 121.800 122.820 -0.166 0.000 1.858 209 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 209 A C 1.305 178.605 177.584 -0.474 0.000 1.190 209 A CA 1.131 53.031 52.037 -0.228 0.000 0.617 209 A CB -0.631 18.315 19.000 -0.091 0.000 0.827 209 A HN 0.657 nan 8.150 nan 0.000 0.443 210 H N 0.110 118.843 119.070 -0.563 0.000 2.410 210 H HA 0.232 4.787 4.556 -0.000 0.000 0.232 210 H C -2.699 172.369 175.328 -0.433 0.000 1.535 210 H CA -1.968 53.710 56.048 -0.616 0.000 1.310 210 H CB 0.005 29.060 29.762 -1.180 0.000 1.518 210 H HN 0.384 nan 8.280 nan 0.000 0.545 211 P HA 0.014 nan 4.420 nan 0.000 0.266 211 P C 1.101 178.388 177.300 -0.020 0.000 1.215 211 P CA 0.937 63.981 63.100 -0.092 0.000 0.763 211 P CB 1.123 32.771 31.700 -0.086 0.000 0.806 212 G N 2.001 110.826 108.800 0.042 0.000 2.175 212 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 212 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 212 G C 0.022 175.015 174.900 0.155 0.000 0.982 212 G CA -0.001 45.155 45.100 0.092 0.000 0.641 212 G HN 0.649 nan 8.290 nan 0.000 0.527 213 E N 0.535 120.859 120.200 0.207 0.000 2.231 213 E HA 0.544 4.894 4.350 -0.000 0.000 0.277 213 E C 0.589 177.538 176.600 0.582 0.000 0.999 213 E CA -1.003 55.595 56.400 0.329 0.000 0.827 213 E CB 0.621 30.500 29.700 0.297 0.000 1.101 213 E HN 0.360 nan 8.360 nan 0.000 0.393 214 R N 2.344 123.096 120.500 0.421 0.000 2.522 214 R HA 0.035 4.375 4.340 -0.000 0.000 0.284 214 R C -0.353 176.195 176.300 0.414 0.000 1.032 214 R CA -0.011 56.332 56.100 0.404 0.000 1.049 214 R CB 0.270 30.589 30.300 0.032 0.000 0.956 214 R HN 0.331 nan 8.270 nan 0.000 0.422 215 F N 5.772 125.804 119.950 0.136 0.000 2.390 215 F HA 0.346 4.873 4.527 -0.000 0.000 0.361 215 F C -2.094 173.564 175.800 -0.237 0.000 1.124 215 F CA -3.245 54.461 58.000 -0.491 0.000 1.149 215 F CB 0.761 39.612 39.000 -0.248 0.000 1.160 215 F HN 0.363 nan 8.300 nan 0.000 0.501 216 P HA 0.134 nan 4.420 nan 0.000 0.264 216 P C -1.165 175.671 177.300 -0.774 0.000 1.183 216 P CA 0.273 63.029 63.100 -0.573 0.000 0.763 216 P CB 0.814 32.217 31.700 -0.495 0.000 0.807 217 V N 2.376 122.075 119.914 -0.358 0.000 3.077 217 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 217 V C -0.487 175.488 176.094 -0.197 0.000 1.276 217 V CA -0.459 61.611 62.300 -0.383 0.000 0.993 217 V CB 2.572 34.066 31.823 -0.548 0.000 1.076 217 V HN 0.468 nan 8.190 nan 0.000 0.434 218 S N 1.046 116.622 115.700 -0.207 0.000 2.550 218 S HA 0.833 5.303 4.470 -0.000 0.000 0.270 218 S C -1.334 173.234 174.600 -0.052 0.000 1.145 218 S CA -0.670 57.514 58.200 -0.028 0.000 0.852 218 S CB 2.286 65.501 63.200 0.025 0.000 1.119 218 S HN 0.610 nan 8.310 nan 0.000 0.465 219 V N 1.464 121.415 119.914 0.061 0.000 2.569 219 V HA 0.778 4.897 4.120 -0.000 0.000 0.301 219 V C -0.196 175.967 176.094 0.115 0.000 1.044 219 V CA -0.760 61.584 62.300 0.073 0.000 0.874 219 V CB 1.327 33.208 31.823 0.096 0.000 1.002 219 V HN 1.036 nan 8.190 nan 0.000 0.424 220 A N 5.972 128.853 122.820 0.102 0.000 2.301 220 A HA 0.851 5.170 4.320 -0.000 0.000 0.312 220 A C -0.773 176.881 177.584 0.116 0.000 1.182 220 A CA -0.436 51.665 52.037 0.106 0.000 0.826 220 A CB 0.670 19.727 19.000 0.097 0.000 1.134 220 A HN 0.654 nan 8.150 nan 0.000 0.501 221 L N 2.876 124.171 121.223 0.120 0.000 2.345 221 L HA 0.585 4.924 4.340 -0.000 0.000 0.274 221 L C 0.950 177.868 176.870 0.082 0.000 0.999 221 L CA 1.000 55.915 54.840 0.125 0.000 0.849 221 L CB 0.346 42.520 42.059 0.191 0.000 1.220 221 L HN 1.326 nan 8.230 nan 0.000 0.422 222 G N 2.504 111.326 108.800 0.037 0.000 2.183 222 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.168 222 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.168 222 G C 0.514 175.376 174.900 -0.062 0.000 1.008 222 G CA -0.082 44.996 45.100 -0.037 0.000 0.677 222 G HN 0.852 nan 8.290 nan 0.000 0.498 223 A N 1.068 123.870 122.820 -0.031 0.000 2.536 223 A HA 0.434 4.754 4.320 -0.000 0.000 0.234 223 A C 0.981 178.524 177.584 -0.068 0.000 1.076 223 A CA 0.711 52.737 52.037 -0.020 0.000 0.769 223 A CB 0.077 19.085 19.000 0.013 0.000 1.020 223 A HN 0.955 nan 8.150 nan 0.000 0.508 224 D N 1.744 122.120 120.400 -0.041 0.000 2.364 224 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 224 D C -1.762 174.480 176.300 -0.096 0.000 1.221 224 D CA -0.439 53.525 54.000 -0.060 0.000 0.891 224 D CB 0.085 40.862 40.800 -0.039 0.000 1.190 224 D HN 0.287 nan 8.370 nan 0.000 0.449 225 P HA -0.230 nan 4.420 nan 0.000 0.215 225 P C 1.376 178.600 177.300 -0.127 0.000 1.153 225 P CA 1.941 64.937 63.100 -0.173 0.000 0.853 225 P CB -0.086 31.246 31.700 -0.614 0.000 0.788 226 A N -0.267 122.465 122.820 -0.147 0.000 1.908 226 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 226 A C 2.388 179.951 177.584 -0.035 0.000 1.181 226 A CA 2.588 54.565 52.037 -0.101 0.000 0.627 226 A CB -1.881 17.062 19.000 -0.095 0.000 0.818 226 A HN 0.217 nan 8.150 nan 0.000 0.445 227 T N 0.895 115.440 114.554 -0.016 0.000 2.668 227 T HA -0.112 4.237 4.350 -0.000 0.000 0.262 227 T C 1.911 176.613 174.700 0.004 0.000 1.045 227 T CA 1.672 63.786 62.100 0.022 0.000 1.152 227 T CB -0.634 68.265 68.868 0.051 0.000 0.864 227 T HN 0.660 nan 8.240 nan 0.000 0.419 228 I N 0.360 120.921 120.570 -0.016 0.000 2.163 228 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 228 I C 2.311 178.472 176.117 0.073 0.000 1.085 228 I CA 1.570 62.871 61.300 0.002 0.000 1.347 228 I CB -0.990 36.906 38.000 -0.174 0.000 1.044 228 I HN 0.145 nan 8.210 nan 0.000 0.408 229 L N 1.718 122.951 121.223 0.016 0.000 1.955 229 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 229 L C 2.961 179.877 176.870 0.077 0.000 1.072 229 L CA 1.964 56.797 54.840 -0.011 0.000 0.755 229 L CB -1.507 40.484 42.059 -0.113 0.000 0.888 229 L HN 0.443 nan 8.230 nan 0.000 0.432 230 G N -0.602 108.285 108.800 0.146 0.000 2.485 230 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.221 230 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.221 230 G C 1.674 176.614 174.900 0.067 0.000 1.115 230 G CA 0.907 46.204 45.100 0.329 0.000 0.751 230 G HN 0.522 nan 8.290 nan 0.000 0.567 231 A N 0.227 123.055 122.820 0.012 0.000 2.015 231 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 231 A C 1.929 179.465 177.584 -0.079 0.000 1.163 231 A CA 1.569 53.572 52.037 -0.057 0.000 0.646 231 A CB -0.318 18.671 19.000 -0.017 0.000 0.806 231 A HN 0.931 nan 8.150 nan 0.000 0.448 232 V N -0.808 119.081 119.914 -0.043 0.000 2.812 232 V HA 0.488 4.608 4.120 -0.000 0.000 0.344 232 V C -0.190 175.821 176.094 -0.139 0.000 1.244 232 V CA 0.222 62.473 62.300 -0.081 0.000 1.447 232 V CB -1.027 30.785 31.823 -0.019 0.000 1.534 232 V HN 0.495 nan 8.190 nan 0.000 0.590 233 T N -0.534 113.872 114.554 -0.248 0.000 3.032 233 T HA 0.618 4.968 4.350 -0.000 0.000 0.312 233 T C -3.062 171.394 174.700 -0.406 0.000 1.078 233 T CA -1.195 60.675 62.100 -0.384 0.000 1.028 233 T CB 2.200 70.611 68.868 -0.762 0.000 1.091 233 T HN 0.335 nan 8.240 nan 0.000 0.457 234 P HA 0.514 nan 4.420 nan 0.000 0.282 234 P C -0.755 176.394 177.300 -0.251 0.000 1.274 234 P CA -0.333 62.645 63.100 -0.204 0.000 0.770 234 P CB 1.108 32.763 31.700 -0.076 0.000 0.867 242 Y N 0.968 121.308 120.300 0.065 0.000 2.457 242 Y HA 0.339 4.889 4.550 -0.000 0.000 0.292 242 Y C 1.967 177.904 175.900 0.061 0.000 1.125 242 Y CA 1.423 59.558 58.100 0.058 0.000 1.254 242 Y CB -0.036 38.447 38.460 0.037 0.000 1.012 242 Y HN 0.318 nan 8.280 nan 0.000 0.555 243 A N -0.671 122.286 122.820 0.227 0.000 1.897 243 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 243 A C 2.072 179.735 177.584 0.132 0.000 1.181 243 A CA 1.124 53.249 52.037 0.146 0.000 0.620 243 A CB -1.247 17.823 19.000 0.116 0.000 0.821 243 A HN 0.448 nan 8.150 nan 0.000 0.443 244 F N 1.290 121.250 119.950 0.017 0.000 2.091 244 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 244 F C 2.518 178.310 175.800 -0.014 0.000 1.103 244 F CA 1.462 59.455 58.000 -0.013 0.000 1.228 244 F CB -0.407 38.573 39.000 -0.034 0.000 0.984 244 F HN 0.251 nan 8.300 nan 0.000 0.477 245 A N 0.259 123.164 122.820 0.141 0.000 1.940 245 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 245 A C 2.501 180.049 177.584 -0.059 0.000 1.176 245 A CA 1.785 53.842 52.037 0.032 0.000 0.631 245 A CB -1.839 17.224 19.000 0.106 0.000 0.814 245 A HN 0.543 nan 8.150 nan 0.000 0.446 246 G N -0.058 108.735 108.800 -0.012 0.000 2.480 246 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 246 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 246 G C 1.343 176.182 174.900 -0.103 0.000 1.200 246 G CA 1.061 46.140 45.100 -0.035 0.000 0.782 246 G HN 0.335 nan 8.290 nan 0.000 0.554 247 L N 0.508 121.641 121.223 -0.151 0.000 2.189 247 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 247 L C 2.893 179.615 176.870 -0.246 0.000 1.097 247 L CA 0.992 55.717 54.840 -0.191 0.000 0.764 247 L CB -1.159 40.767 42.059 -0.223 0.000 0.900 247 L HN 0.250 nan 8.230 nan 0.000 0.436 248 L N -0.252 120.774 121.223 -0.328 0.000 2.265 248 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 248 L C 2.358 179.122 176.870 -0.176 0.000 1.117 248 L CA 1.141 55.803 54.840 -0.296 0.000 0.782 248 L CB -0.190 41.679 42.059 -0.316 0.000 0.914 248 L HN 0.430 nan 8.230 nan 0.000 0.441 249 R N -1.589 118.829 120.500 -0.136 0.000 2.509 249 R HA 0.294 4.633 4.340 -0.000 0.000 0.297 249 R C 1.217 177.473 176.300 -0.074 0.000 0.951 249 R CA 0.558 56.602 56.100 -0.094 0.000 1.103 249 R CB 0.560 30.813 30.300 -0.078 0.000 1.283 249 R HN 0.070 nan 8.270 nan 0.000 0.534 250 G N 1.232 109.984 108.800 -0.081 0.000 4.526 250 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.217 250 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.217 250 G C 0.383 175.255 174.900 -0.047 0.000 1.428 250 G CA 0.439 45.502 45.100 -0.061 0.000 0.928 250 G HN 0.634 nan 8.290 nan 0.000 0.639 251 T N 1.485 116.015 114.554 -0.039 0.000 2.884 251 T HA 0.521 4.871 4.350 -0.000 0.000 0.298 251 T C 0.710 175.394 174.700 -0.026 0.000 0.998 251 T CA 0.508 62.591 62.100 -0.029 0.000 1.124 251 T CB 1.281 70.135 68.868 -0.025 0.000 0.931 251 T HN 1.072 nan 8.240 nan 0.000 0.531 252 K N 1.839 122.226 120.400 -0.021 0.000 2.455 252 K HA 0.167 4.487 4.320 -0.000 0.000 0.269 252 K C 0.529 177.122 176.600 -0.011 0.000 0.972 252 K CA -0.519 55.760 56.287 -0.014 0.000 0.938 252 K CB -0.264 32.225 32.500 -0.018 0.000 0.931 252 K HN 0.778 nan 8.250 nan 0.000 0.507 253 T N -0.816 113.740 114.554 0.003 0.000 2.913 253 T HA 0.146 4.496 4.350 -0.000 0.000 0.287 253 T C -0.326 174.351 174.700 -0.038 0.000 1.008 253 T CA -0.855 61.252 62.100 0.012 0.000 1.067 253 T CB 0.843 69.772 68.868 0.101 0.000 0.996 253 T HN 0.599 nan 8.240 nan 0.000 0.513 254 E N 1.277 121.461 120.200 -0.027 0.000 2.174 254 E HA 0.516 4.866 4.350 -0.000 0.000 0.282 254 E C 0.071 176.633 176.600 -0.062 0.000 0.992 254 E CA -0.976 55.395 56.400 -0.048 0.000 0.803 254 E CB 1.702 31.387 29.700 -0.025 0.000 1.090 254 E HN 0.685 nan 8.360 nan 0.000 0.396 255 V N 0.252 120.101 119.914 -0.109 0.000 3.166 255 V HA 0.781 4.901 4.120 -0.000 0.000 0.317 255 V C -0.633 175.423 176.094 -0.064 0.000 1.136 255 V CA -0.798 61.432 62.300 -0.116 0.000 1.035 255 V CB 2.004 33.671 31.823 -0.259 0.000 1.110 255 V HN 0.408 nan 8.190 nan 0.000 0.450 256 V N 1.061 120.952 119.914 -0.039 0.000 2.817 256 V HA 0.573 4.692 4.120 -0.000 0.000 0.303 256 V C -0.422 175.664 176.094 -0.013 0.000 1.151 256 V CA -0.737 61.550 62.300 -0.021 0.000 0.929 256 V CB 1.852 33.672 31.823 -0.004 0.000 1.030 256 V HN 1.324 nan 8.190 nan 0.000 0.427 257 K N 5.101 125.491 120.400 -0.016 0.000 2.524 257 K HA 0.194 4.513 4.320 -0.000 0.000 0.279 257 K C -0.394 176.201 176.600 -0.009 0.000 0.993 257 K CA 0.515 56.794 56.287 -0.013 0.000 1.030 257 K CB -0.049 32.443 32.500 -0.013 0.000 0.891 257 K HN 0.813 nan 8.250 nan 0.000 0.488 258 C N 5.485 124.777 119.300 -0.013 0.000 2.539 258 C HA 0.254 4.714 4.460 -0.000 0.000 0.392 258 C C 2.177 177.140 174.990 -0.045 0.000 1.269 258 C CA -0.694 58.312 59.018 -0.019 0.000 2.250 258 C CB -0.472 27.255 27.740 -0.022 0.000 2.584 258 C HN 0.897 nan 8.230 nan 0.000 0.589 259 I N 2.166 122.701 120.570 -0.057 0.000 2.756 259 I HA -0.133 4.036 4.170 -0.000 0.000 0.262 259 I C 1.976 177.979 176.117 -0.191 0.000 1.225 259 I CA 1.591 62.841 61.300 -0.084 0.000 1.472 259 I CB -0.241 37.739 38.000 -0.033 0.000 1.094 259 I HN 0.860 nan 8.210 nan 0.000 0.454 260 S N -0.600 114.939 115.700 -0.268 0.000 2.559 260 S HA 0.184 4.653 4.470 -0.000 0.000 0.226 260 S C 0.353 174.871 174.600 -0.137 0.000 1.030 260 S CA -0.482 57.533 58.200 -0.309 0.000 0.956 260 S CB -0.109 62.772 63.200 -0.532 0.000 0.900 260 S HN 0.535 nan 8.310 nan 0.000 0.510 261 N N -0.079 118.563 118.700 -0.097 0.000 3.243 261 N HA 0.403 5.143 4.740 -0.000 0.000 0.280 261 N C -1.065 174.416 175.510 -0.048 0.000 1.545 261 N CA -0.621 52.389 53.050 -0.067 0.000 0.854 261 N CB -0.148 38.290 38.487 -0.082 0.000 1.612 261 N HN -0.241 nan 8.380 nan 0.000 0.577 262 D N -0.535 119.841 120.400 -0.041 0.000 2.347 262 D HA 0.116 4.756 4.640 -0.000 0.000 0.213 262 D C 0.161 176.449 176.300 -0.021 0.000 0.985 262 D CA 0.339 54.326 54.000 -0.021 0.000 0.879 262 D CB -0.037 40.761 40.800 -0.004 0.000 0.919 262 D HN 0.300 nan 8.370 nan 0.000 0.526 263 L N 1.399 122.601 121.223 -0.035 0.000 2.543 263 L HA 0.023 4.363 4.340 -0.000 0.000 0.285 263 L C 0.696 177.569 176.870 0.004 0.000 1.236 263 L CA 0.867 55.697 54.840 -0.016 0.000 0.871 263 L CB -0.247 41.791 42.059 -0.035 0.000 1.121 263 L HN -0.030 nan 8.230 nan 0.000 0.501 264 E N 1.764 121.978 120.200 0.024 0.000 2.101 264 E HA 0.369 4.719 4.350 -0.000 0.000 0.260 264 E C -0.452 176.186 176.600 0.064 0.000 0.897 264 E CA -0.431 55.972 56.400 0.005 0.000 0.744 264 E CB 1.626 31.288 29.700 -0.062 0.000 1.140 264 E HN 0.462 nan 8.360 nan 0.000 0.419 265 V N 1.021 120.978 119.914 0.071 0.000 2.837 265 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 265 V C -2.332 173.826 176.094 0.108 0.000 1.059 265 V CA -2.653 59.725 62.300 0.129 0.000 1.004 265 V CB 0.965 32.846 31.823 0.095 0.000 1.045 265 V HN 0.418 nan 8.190 nan 0.000 0.465 266 P HA 0.117 nan 4.420 nan 0.000 0.265 266 P C 0.558 177.894 177.300 0.060 0.000 1.193 266 P CA 0.475 63.645 63.100 0.117 0.000 0.765 266 P CB 1.233 33.025 31.700 0.154 0.000 0.823 267 A N 3.858 126.696 122.820 0.030 0.000 1.972 267 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 267 A C 2.063 179.660 177.584 0.022 0.000 1.169 267 A CA 1.922 53.970 52.037 0.019 0.000 0.635 267 A CB -1.393 17.609 19.000 0.004 0.000 0.810 267 A HN 0.631 nan 8.150 nan 0.000 0.446 268 S N 0.001 115.714 115.700 0.023 0.000 2.555 268 S HA 0.398 4.868 4.470 -0.000 0.000 0.230 268 S C 1.042 175.651 174.600 0.016 0.000 0.978 268 S CA 0.270 58.478 58.200 0.015 0.000 0.934 268 S CB -0.861 62.344 63.200 0.008 0.000 0.766 268 S HN 0.908 nan 8.310 nan 0.000 0.533 269 A N 1.845 124.683 122.820 0.030 0.000 2.555 269 A HA 0.147 4.466 4.320 -0.000 0.000 0.233 269 A C 1.325 178.930 177.584 0.036 0.000 1.060 269 A CA -0.049 52.010 52.037 0.037 0.000 0.759 269 A CB 0.186 19.221 19.000 0.058 0.000 0.995 269 A HN 0.363 nan 8.150 nan 0.000 0.506 270 E N -0.007 120.219 120.200 0.042 0.000 2.190 270 E HA 0.156 4.506 4.350 -0.000 0.000 0.191 270 E C 0.327 176.971 176.600 0.072 0.000 0.978 270 E CA 0.848 57.278 56.400 0.050 0.000 0.839 270 E CB 0.344 30.075 29.700 0.052 0.000 0.787 270 E HN 0.671 nan 8.360 nan 0.000 0.473 271 I N -0.282 120.342 120.570 0.090 0.000 2.753 271 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 271 I C -1.841 174.341 176.117 0.108 0.000 1.425 271 I CA -0.609 60.750 61.300 0.098 0.000 1.039 271 I CB 1.923 39.991 38.000 0.114 0.000 1.349 271 I HN -0.360 nan 8.210 nan 0.000 0.430 272 V N 7.325 127.300 119.914 0.102 0.000 2.555 272 V HA 0.458 4.578 4.120 -0.000 0.000 0.302 272 V C -0.161 176.013 176.094 0.133 0.000 1.038 272 V CA -0.588 61.780 62.300 0.114 0.000 0.887 272 V CB 1.790 33.670 31.823 0.096 0.000 0.991 272 V HN 0.517 nan 8.190 nan 0.000 0.434 273 L N 4.463 125.791 121.223 0.175 0.000 2.321 273 L HA 0.483 4.822 4.340 -0.000 0.000 0.272 273 L C 0.114 177.179 176.870 0.325 0.000 1.050 273 L CA -0.192 54.783 54.840 0.225 0.000 0.893 273 L CB 0.550 42.798 42.059 0.315 0.000 1.272 273 L HN 0.678 nan 8.230 nan 0.000 0.435 274 E N 2.324 122.661 120.200 0.229 0.000 2.130 274 E HA 0.570 4.919 4.350 -0.000 0.000 0.284 274 E C 0.261 177.007 176.600 0.244 0.000 1.018 274 E CA -0.260 56.273 56.400 0.222 0.000 0.817 274 E CB 1.920 31.666 29.700 0.077 0.000 1.078 274 E HN 0.707 nan 8.360 nan 0.000 0.396 275 G N 2.317 111.361 108.800 0.407 0.000 2.772 275 G HA2 0.489 4.449 3.960 -0.000 0.000 0.284 275 G HA3 0.489 4.449 3.960 -0.000 0.000 0.284 275 G C -1.742 173.479 174.900 0.534 0.000 1.217 275 G CA -0.584 44.697 45.100 0.302 0.000 0.831 275 G HN 0.487 nan 8.290 nan 0.000 0.523 276 Y N -1.961 118.534 120.300 0.325 0.000 2.655 276 Y HA 0.796 5.346 4.550 -0.000 0.000 0.336 276 Y C -1.439 174.630 175.900 0.283 0.000 1.154 276 Y CA -1.773 56.459 58.100 0.219 0.000 1.055 276 Y CB 1.769 40.293 38.460 0.107 0.000 1.295 276 Y HN 0.695 nan 8.280 nan 0.000 0.465 277 I N 2.446 123.207 120.570 0.318 0.000 2.428 277 I HA 0.414 4.584 4.170 -0.000 0.000 0.279 277 I C -0.599 175.772 176.117 0.424 0.000 1.040 277 I CA -0.826 60.589 61.300 0.192 0.000 1.171 277 I CB 0.449 38.470 38.000 0.035 0.000 1.312 277 I HN 0.727 nan 8.210 nan 0.000 0.470 278 E N 5.430 125.870 120.200 0.401 0.000 2.558 278 E HA -0.021 4.329 4.350 -0.000 0.000 0.255 278 E C -0.379 176.483 176.600 0.436 0.000 0.968 278 E CA 0.550 57.247 56.400 0.495 0.000 0.939 278 E CB 0.381 30.323 29.700 0.403 0.000 0.921 278 E HN 0.589 nan 8.360 nan 0.000 0.477 279 Q N 2.885 122.967 119.800 0.470 0.000 2.286 279 Q HA 0.180 4.520 4.340 -0.000 0.000 0.290 279 Q C 1.053 177.238 176.000 0.308 0.000 1.049 279 Q CA 0.903 56.971 55.803 0.442 0.000 0.923 279 Q CB 0.570 29.491 28.738 0.304 0.000 1.183 279 Q HN 0.973 nan 8.270 nan 0.000 0.383 280 G N 2.571 111.558 108.800 0.311 0.000 2.284 280 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.247 280 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.247 280 G C 0.139 175.142 174.900 0.171 0.000 1.012 280 G CA 0.223 45.444 45.100 0.202 0.000 0.618 280 G HN 0.624 nan 8.290 nan 0.000 0.521 281 E N 1.519 121.829 120.200 0.183 0.000 2.166 281 E HA 0.460 4.810 4.350 -0.000 0.000 0.279 281 E C -0.489 176.169 176.600 0.097 0.000 1.095 281 E CA 0.488 56.962 56.400 0.124 0.000 0.888 281 E CB 0.339 30.108 29.700 0.115 0.000 1.041 281 E HN 0.154 nan 8.360 nan 0.000 0.414 282 T N 2.673 117.272 114.554 0.076 0.000 2.879 282 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 282 T C -1.242 173.484 174.700 0.044 0.000 0.993 282 T CA -0.424 61.711 62.100 0.059 0.000 0.975 282 T CB 1.097 70.001 68.868 0.059 0.000 0.981 282 T HN 0.434 nan 8.240 nan 0.000 0.439 283 A N 6.067 128.917 122.820 0.048 0.000 2.340 283 A HA 0.917 5.237 4.320 -0.000 0.000 0.331 283 A C -2.709 174.917 177.584 0.070 0.000 1.140 283 A CA -1.975 50.091 52.037 0.049 0.000 0.801 283 A CB 1.110 20.137 19.000 0.044 0.000 1.234 283 A HN 0.669 nan 8.150 nan 0.000 0.469 284 P HA 0.122 nan 4.420 nan 0.000 0.276 284 P C -0.712 176.654 177.300 0.109 0.000 1.253 284 P CA 0.073 63.213 63.100 0.067 0.000 0.766 284 P CB 0.791 32.512 31.700 0.036 0.000 0.845 285 E N 3.618 123.933 120.200 0.192 0.000 2.003 285 E HA 0.319 4.669 4.350 -0.000 0.000 0.279 285 E C 0.744 177.419 176.600 0.126 0.000 1.132 285 E CA -0.668 55.866 56.400 0.224 0.000 0.888 285 E CB -0.081 29.845 29.700 0.377 0.000 1.056 285 E HN 0.521 nan 8.360 nan 0.000 0.399 286 G N 5.344 114.147 108.800 0.005 0.000 2.760 286 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.236 286 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.236 286 G C -2.115 172.671 174.900 -0.190 0.000 1.243 286 G CA -0.941 44.095 45.100 -0.107 0.000 0.850 286 G HN 0.554 nan 8.290 nan 0.000 0.595 287 P HA 0.091 nan 4.420 nan 0.000 0.267 287 P C -1.399 175.856 177.300 -0.074 0.000 1.205 287 P CA 0.428 63.519 63.100 -0.015 0.000 0.765 287 P CB 0.465 32.177 31.700 0.021 0.000 0.828 288 Y N 0.871 121.350 120.300 0.298 0.000 2.442 288 Y HA 0.474 5.024 4.550 -0.000 0.000 0.344 288 Y C 1.079 177.102 175.900 0.205 0.000 0.976 288 Y CA -0.482 57.790 58.100 0.285 0.000 1.040 288 Y CB 1.936 40.502 38.460 0.177 0.000 1.228 288 Y HN 0.439 nan 8.280 nan 0.000 0.451 289 G N 2.124 111.090 108.800 0.277 0.000 2.442 289 G HA2 0.432 4.392 3.960 -0.000 0.000 0.249 289 G HA3 0.432 4.392 3.960 -0.000 0.000 0.249 289 G C -0.657 174.306 174.900 0.105 0.000 1.263 289 G CA -0.302 44.717 45.100 -0.136 0.000 0.846 289 G HN 0.612 nan 8.290 nan 0.000 0.555 290 D N -1.265 119.153 120.400 0.030 0.000 2.689 290 D HA 0.150 4.790 4.640 -0.000 0.000 0.255 290 D C 1.477 177.818 176.300 0.067 0.000 1.113 290 D CA -0.634 53.440 54.000 0.124 0.000 1.115 290 D CB 0.092 41.016 40.800 0.206 0.000 1.334 290 D HN 0.480 nan 8.370 nan 0.000 0.621 291 H N -1.215 117.860 119.070 0.009 0.000 2.492 291 H HA -0.130 4.425 4.556 -0.000 0.000 0.296 291 H C 1.221 176.561 175.328 0.019 0.000 1.095 291 H CA 2.106 58.152 56.048 -0.004 0.000 1.281 291 H CB -1.251 28.511 29.762 0.000 0.000 1.374 291 H HN 0.493 nan 8.280 nan 0.000 0.545 292 T N -3.445 110.791 114.554 -0.528 0.000 3.055 292 T HA 0.224 4.573 4.350 -0.000 0.000 0.265 292 T C 1.719 176.346 174.700 -0.122 0.000 1.111 292 T CA 0.892 62.832 62.100 -0.267 0.000 1.118 292 T CB -0.510 68.302 68.868 -0.094 0.000 0.909 292 T HN 0.712 nan 8.240 nan 0.000 0.501 293 G N 0.231 108.889 108.800 -0.237 0.000 2.132 293 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.228 293 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.228 293 G C -0.286 174.185 174.900 -0.716 0.000 1.000 293 G CA 0.023 44.834 45.100 -0.483 0.000 0.693 293 G HN 0.638 nan 8.290 nan 0.000 0.515 294 Y N -1.627 118.552 120.300 -0.202 0.000 2.581 294 Y HA 0.655 5.205 4.550 -0.000 0.000 0.345 294 Y C 0.144 175.945 175.900 -0.164 0.000 1.036 294 Y CA -1.542 56.483 58.100 -0.125 0.000 1.042 294 Y CB 1.138 39.636 38.460 0.064 0.000 1.289 294 Y HN 0.107 nan 8.280 nan 0.000 0.471 295 Y N 1.708 122.101 120.300 0.155 0.000 2.335 295 Y HA 0.180 4.730 4.550 -0.000 0.000 0.331 295 Y C 0.243 176.222 175.900 0.132 0.000 1.094 295 Y CA -0.354 57.819 58.100 0.122 0.000 1.253 295 Y CB 0.443 38.947 38.460 0.074 0.000 1.203 295 Y HN 0.437 nan 8.280 nan 0.000 0.508 296 N N 4.557 123.427 118.700 0.283 0.000 2.458 296 N HA 0.008 4.748 4.740 -0.000 0.000 0.270 296 N C -0.080 175.550 175.510 0.200 0.000 1.102 296 N CA -0.440 52.748 53.050 0.230 0.000 0.967 296 N CB 0.881 39.511 38.487 0.238 0.000 1.078 296 N HN 0.632 nan 8.380 nan 0.000 0.471 297 E N 1.303 121.594 120.200 0.151 0.000 2.438 297 E HA -0.007 4.343 4.350 -0.000 0.000 0.261 297 E C -0.036 176.636 176.600 0.120 0.000 1.103 297 E CA -0.276 56.189 56.400 0.108 0.000 0.959 297 E CB 0.358 30.106 29.700 0.081 0.000 0.958 297 E HN 0.100 nan 8.360 nan 0.000 0.447 298 V N 1.344 121.306 119.914 0.081 0.000 3.178 298 V HA 0.084 4.204 4.120 -0.000 0.000 0.306 298 V C 0.587 176.738 176.094 0.095 0.000 1.107 298 V CA 0.704 63.054 62.300 0.083 0.000 1.195 298 V CB 0.104 31.951 31.823 0.040 0.000 0.993 298 V HN 0.802 nan 8.190 nan 0.000 0.493 299 D N -0.221 120.242 120.400 0.103 0.000 2.738 299 D HA 0.179 4.819 4.640 -0.000 0.000 0.229 299 D C -1.132 175.124 176.300 -0.073 0.000 1.200 299 D CA -0.401 53.605 54.000 0.009 0.000 0.746 299 D CB 2.109 42.942 40.800 0.055 0.000 1.597 299 D HN 0.516 nan 8.370 nan 0.000 0.471 300 S N 1.436 116.985 115.700 -0.251 0.000 2.565 300 S HA 0.713 5.183 4.470 -0.000 0.000 0.274 300 S C -0.518 173.739 174.600 -0.571 0.000 1.309 300 S CA -0.216 57.845 58.200 -0.232 0.000 1.043 300 S CB 0.480 63.600 63.200 -0.133 0.000 0.939 300 S HN 0.240 nan 8.310 nan 0.000 0.504 301 F N 1.037 120.999 119.950 0.021 0.000 2.645 301 F HA 0.457 4.984 4.527 -0.000 0.000 0.310 301 F C -2.586 173.172 175.800 -0.070 0.000 1.102 301 F CA -2.231 55.759 58.000 -0.017 0.000 0.952 301 F CB 1.111 40.076 39.000 -0.058 0.000 1.326 301 F HN 0.292 nan 8.300 nan 0.000 0.456 302 P HA 0.099 nan 4.420 nan 0.000 0.267 302 P C -1.120 176.092 177.300 -0.146 0.000 1.200 302 P CA -0.056 62.978 63.100 -0.111 0.000 0.772 302 P CB 0.779 32.255 31.700 -0.373 0.000 0.855 303 V N 5.501 125.363 119.914 -0.087 0.000 2.370 303 V HA 0.408 4.528 4.120 -0.000 0.000 0.283 303 V C -0.984 175.078 176.094 -0.053 0.000 1.023 303 V CA -0.943 61.320 62.300 -0.062 0.000 0.857 303 V CB -0.267 31.540 31.823 -0.028 0.000 0.985 303 V HN 0.391 nan 8.190 nan 0.000 0.443 304 F N 5.963 125.767 119.950 -0.242 0.000 2.444 304 F HA 0.441 4.968 4.527 -0.000 0.000 0.360 304 F C 0.528 176.169 175.800 -0.266 0.000 1.106 304 F CA -0.351 57.494 58.000 -0.258 0.000 1.170 304 F CB 0.826 39.694 39.000 -0.221 0.000 1.113 304 F HN 0.566 nan 8.300 nan 0.000 0.521 305 T N 6.503 120.723 114.554 -0.558 0.000 2.738 305 T HA 0.267 4.617 4.350 -0.000 0.000 0.298 305 T C -0.202 173.972 174.700 -0.876 0.000 0.962 305 T CA -0.546 61.114 62.100 -0.733 0.000 0.972 305 T CB 0.953 69.262 68.868 -0.932 0.000 0.928 305 T HN 0.323 nan 8.240 nan 0.000 0.474 306 V N 4.642 124.095 119.914 -0.768 0.000 2.427 306 V HA 0.214 4.334 4.120 -0.000 0.000 0.268 306 V C 1.636 177.605 176.094 -0.210 0.000 1.046 306 V CA -0.150 61.800 62.300 -0.583 0.000 0.970 306 V CB 0.456 32.015 31.823 -0.440 0.000 1.001 306 V HN 1.109 nan 8.190 nan 0.000 0.476 307 T N 0.429 114.974 114.554 -0.014 0.000 2.990 307 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 307 T C 0.415 175.176 174.700 0.101 0.000 1.041 307 T CA 0.277 62.464 62.100 0.144 0.000 1.010 307 T CB 0.073 69.176 68.868 0.391 0.000 1.003 307 T HN 0.653 nan 8.240 nan 0.000 0.499 308 H N -0.661 118.402 119.070 -0.012 0.000 2.961 308 H HA 0.660 5.216 4.556 -0.000 0.000 0.371 308 H C -1.188 174.144 175.328 0.006 0.000 1.190 308 H CA -1.149 54.903 56.048 0.007 0.000 1.138 308 H CB 1.757 31.537 29.762 0.031 0.000 1.816 308 H HN 0.110 nan 8.280 nan 0.000 0.551 309 I N 2.118 122.752 120.570 0.107 0.000 2.714 309 I HA 0.091 4.261 4.170 -0.000 0.000 0.276 309 I C -0.202 175.963 176.117 0.080 0.000 1.196 309 I CA -0.318 61.027 61.300 0.075 0.000 1.068 309 I CB 1.206 39.222 38.000 0.027 0.000 1.291 309 I HN 0.523 nan 8.210 nan 0.000 0.530 310 T N 5.167 119.781 114.554 0.101 0.000 2.738 310 T HA 0.400 4.750 4.350 -0.000 0.000 0.294 310 T C 0.030 174.772 174.700 0.070 0.000 0.914 310 T CA -0.089 62.061 62.100 0.084 0.000 1.052 310 T CB 0.271 69.190 68.868 0.084 0.000 0.897 310 T HN 0.692 nan 8.240 nan 0.000 0.522 311 Q N 4.241 124.076 119.800 0.058 0.000 3.226 311 Q HA 0.701 5.041 4.340 -0.000 0.000 0.276 311 Q C -0.569 175.458 176.000 0.045 0.000 1.029 311 Q CA -1.440 54.396 55.803 0.056 0.000 0.854 311 Q CB 1.317 30.087 28.738 0.054 0.000 1.567 311 Q HN 0.739 nan 8.270 nan 0.000 0.481 312 R N -0.653 119.872 120.500 0.042 0.000 2.837 312 R HA 0.446 4.786 4.340 -0.000 0.000 0.271 312 R C -0.854 175.464 176.300 0.030 0.000 0.993 312 R CA -0.951 55.169 56.100 0.033 0.000 0.931 312 R CB 1.393 31.711 30.300 0.029 0.000 1.206 312 R HN 0.428 nan 8.270 nan 0.000 0.474 313 E N 1.752 121.967 120.200 0.024 0.000 2.465 313 E HA -0.052 4.298 4.350 -0.000 0.000 0.260 313 E C -0.421 176.192 176.600 0.022 0.000 0.980 313 E CA 1.017 57.430 56.400 0.022 0.000 0.927 313 E CB 0.161 29.871 29.700 0.017 0.000 0.934 313 E HN 0.633 nan 8.360 nan 0.000 0.459 314 D N 0.255 120.669 120.400 0.024 0.000 2.723 314 D HA -0.192 4.448 4.640 -0.000 0.000 0.236 314 D C -0.356 175.961 176.300 0.029 0.000 1.138 314 D CA 0.945 54.960 54.000 0.025 0.000 0.676 314 D CB -0.987 39.823 40.800 0.017 0.000 1.069 314 D HN 0.480 nan 8.370 nan 0.000 0.430 315 A N 0.531 123.374 122.820 0.038 0.000 2.340 315 A HA 0.629 4.949 4.320 -0.000 0.000 0.268 315 A C 0.765 178.387 177.584 0.063 0.000 1.100 315 A CA -0.547 51.518 52.037 0.047 0.000 0.803 315 A CB 0.672 19.706 19.000 0.056 0.000 1.043 315 A HN 0.433 nan 8.150 nan 0.000 0.488 316 I N -1.232 119.379 120.570 0.067 0.000 2.707 316 I HA 0.670 4.839 4.170 -0.000 0.000 0.309 316 I C -0.810 175.402 176.117 0.158 0.000 1.001 316 I CA -0.944 60.410 61.300 0.091 0.000 1.129 316 I CB 1.581 39.607 38.000 0.043 0.000 1.308 316 I HN 0.605 nan 8.210 nan 0.000 0.466 317 Y N 3.457 123.780 120.300 0.039 0.000 2.330 317 Y HA 0.470 5.020 4.550 -0.000 0.000 0.336 317 Y C -0.917 175.050 175.900 0.111 0.000 1.036 317 Y CA -0.530 57.600 58.100 0.051 0.000 1.125 317 Y CB 0.667 39.128 38.460 0.002 0.000 1.194 317 Y HN 0.701 nan 8.280 nan 0.000 0.469 318 H N 3.967 122.652 119.070 -0.642 0.000 2.511 318 H HA 0.660 5.216 4.556 -0.000 0.000 0.328 318 H C -1.170 173.784 175.328 -0.623 0.000 1.044 318 H CA -0.186 55.550 56.048 -0.520 0.000 1.212 318 H CB 1.009 30.556 29.762 -0.359 0.000 1.428 318 H HN 0.685 nan 8.280 nan 0.000 0.483 319 S N 2.831 118.164 115.700 -0.612 0.000 2.656 319 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 319 S C -0.649 173.938 174.600 -0.021 0.000 1.168 319 S CA -0.364 57.656 58.200 -0.299 0.000 0.817 319 S CB 2.138 65.180 63.200 -0.263 0.000 1.146 319 S HN 0.719 nan 8.310 nan 0.000 0.475 320 T N -0.637 113.929 114.554 0.020 0.000 2.645 320 T HA 0.795 5.145 4.350 -0.000 0.000 0.273 320 T C -1.975 172.802 174.700 0.128 0.000 0.960 320 T CA -0.512 61.653 62.100 0.109 0.000 1.051 320 T CB 0.974 69.844 68.868 0.005 0.000 1.366 320 T HN 1.408 nan 8.240 nan 0.000 0.536 321 Y N -0.412 119.855 120.300 -0.055 0.000 2.513 321 Y HA 0.676 5.226 4.550 -0.000 0.000 0.340 321 Y C -0.850 175.083 175.900 0.055 0.000 1.055 321 Y CA -0.972 57.097 58.100 -0.051 0.000 1.020 321 Y CB 1.536 39.935 38.460 -0.101 0.000 1.301 321 Y HN 0.663 nan 8.280 nan 0.000 0.453 322 T N 0.803 115.378 114.554 0.035 0.000 2.892 322 T HA 0.814 5.163 4.350 -0.000 0.000 0.311 322 T C -0.110 174.778 174.700 0.314 0.000 1.033 322 T CA -0.047 62.068 62.100 0.025 0.000 0.991 322 T CB 0.759 69.637 68.868 0.017 0.000 0.981 322 T HN 1.286 nan 8.240 nan 0.000 0.457 323 G N 1.552 110.509 108.800 0.261 0.000 3.166 323 G HA2 0.570 4.530 3.960 -0.000 0.000 0.267 323 G HA3 0.570 4.530 3.960 -0.000 0.000 0.267 323 G C -0.817 174.002 174.900 -0.135 0.000 1.256 323 G CA -1.331 43.803 45.100 0.055 0.000 0.859 323 G HN 0.835 nan 8.290 nan 0.000 0.590 324 R N 1.714 122.021 120.500 -0.321 0.000 2.486 324 R HA 0.088 4.428 4.340 -0.000 0.000 0.303 324 R C -1.895 174.357 176.300 -0.079 0.000 0.958 324 R CA -0.638 55.320 56.100 -0.237 0.000 1.077 324 R CB 0.127 30.256 30.300 -0.285 0.000 0.921 324 R HN 0.227 nan 8.270 nan 0.000 0.406 325 P HA 0.057 nan 4.420 nan 0.000 0.268 325 P C -2.566 174.747 177.300 0.021 0.000 1.208 325 P CA -0.960 62.143 63.100 0.005 0.000 0.777 325 P CB 0.323 32.034 31.700 0.017 0.000 0.875 326 P HA 0.266 nan 4.420 nan 0.000 0.279 326 P C -1.012 176.326 177.300 0.064 0.000 1.252 326 P CA 0.056 63.197 63.100 0.068 0.000 0.811 326 P CB 0.841 32.599 31.700 0.097 0.000 1.035 327 D N -1.617 118.784 120.400 0.002 0.000 2.596 327 D HA 0.110 4.750 4.640 -0.000 0.000 0.262 327 D C 0.857 177.093 176.300 -0.107 0.000 1.210 327 D CA -0.749 53.155 54.000 -0.160 0.000 0.873 327 D CB 0.377 40.942 40.800 -0.393 0.000 1.408 327 D HN 0.242 nan 8.370 nan 0.000 0.441 328 E N -0.275 119.830 120.200 -0.158 0.000 2.113 328 E HA -0.189 4.161 4.350 -0.000 0.000 0.210 328 E C -0.830 175.811 176.600 0.068 0.000 1.040 328 E CA 2.456 58.893 56.400 0.062 0.000 0.847 328 E CB -0.982 28.797 29.700 0.133 0.000 0.755 328 E HN 0.477 nan 8.360 nan 0.000 0.459 329 P HA -0.117 nan 4.420 nan 0.000 0.217 329 P C 1.248 178.539 177.300 -0.015 0.000 1.151 329 P CA 1.833 64.894 63.100 -0.065 0.000 0.828 329 P CB -0.095 31.497 31.700 -0.181 0.000 0.788 330 A N 0.912 123.732 122.820 0.001 0.000 1.877 330 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 330 A C 2.385 180.011 177.584 0.071 0.000 1.186 330 A CA 2.507 54.571 52.037 0.045 0.000 0.620 330 A CB -1.841 17.195 19.000 0.060 0.000 0.822 330 A HN 0.183 nan 8.150 nan 0.000 0.443 331 V N -2.674 117.293 119.914 0.089 0.000 3.241 331 V HA -0.050 4.070 4.120 -0.000 0.000 0.269 331 V C 1.951 178.115 176.094 0.116 0.000 1.151 331 V CA 1.828 64.199 62.300 0.118 0.000 1.158 331 V CB -0.551 31.357 31.823 0.141 0.000 0.764 331 V HN 0.320 nan 8.190 nan 0.000 0.508 332 L N 1.853 123.133 121.223 0.096 0.000 2.253 332 L HA 0.501 4.841 4.340 -0.000 0.000 0.205 332 L C 2.345 179.239 176.870 0.039 0.000 1.078 332 L CA 1.867 56.742 54.840 0.058 0.000 0.805 332 L CB -0.938 41.161 42.059 0.068 0.000 0.963 332 L HN 0.291 nan 8.230 nan 0.000 0.459 333 G N -1.199 107.631 108.800 0.051 0.000 2.484 333 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 333 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 333 G C 1.470 176.440 174.900 0.118 0.000 1.130 333 G CA 0.873 46.014 45.100 0.068 0.000 0.784 333 G HN 0.265 nan 8.290 nan 0.000 0.543 334 V N 1.366 121.350 119.914 0.117 0.000 2.343 334 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 334 V C 3.248 179.440 176.094 0.162 0.000 1.051 334 V CA 2.081 64.473 62.300 0.153 0.000 1.036 334 V CB -0.640 31.286 31.823 0.171 0.000 0.654 334 V HN 0.458 nan 8.190 nan 0.000 0.451 335 A N -0.296 122.593 122.820 0.115 0.000 1.897 335 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 335 A C 2.147 179.785 177.584 0.091 0.000 1.181 335 A CA 1.300 53.391 52.037 0.091 0.000 0.620 335 A CB -0.429 18.598 19.000 0.045 0.000 0.821 335 A HN 0.507 nan 8.150 nan 0.000 0.443 336 L N -0.204 121.069 121.223 0.082 0.000 2.131 336 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 336 L C 2.009 178.964 176.870 0.143 0.000 1.092 336 L CA 0.943 55.828 54.840 0.075 0.000 0.759 336 L CB -0.656 41.432 42.059 0.050 0.000 0.903 336 L HN 0.352 nan 8.230 nan 0.000 0.435 337 N N 0.324 119.173 118.700 0.249 0.000 2.573 337 N HA -0.168 4.571 4.740 -0.000 0.000 0.187 337 N C 1.614 177.380 175.510 0.427 0.000 1.107 337 N CA 0.677 53.999 53.050 0.452 0.000 0.918 337 N CB 0.178 38.926 38.487 0.435 0.000 0.966 337 N HN 0.317 nan 8.380 nan 0.000 0.448 338 E N 0.002 120.350 120.200 0.247 0.000 2.358 338 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 338 E C 1.774 178.453 176.600 0.133 0.000 1.010 338 E CA 0.217 56.737 56.400 0.199 0.000 0.856 338 E CB 0.097 29.874 29.700 0.129 0.000 0.795 338 E HN 0.227 nan 8.360 nan 0.000 0.504 339 V N -1.652 118.273 119.914 0.019 0.000 3.380 339 V HA 0.004 4.124 4.120 -0.000 0.000 0.268 339 V C 1.406 177.371 176.094 -0.216 0.000 1.168 339 V CA 0.971 63.187 62.300 -0.141 0.000 1.156 339 V CB -0.706 30.943 31.823 -0.291 0.000 0.785 339 V HN 0.072 nan 8.190 nan 0.000 0.487 340 F N -0.051 119.991 119.950 0.152 0.000 2.582 340 F HA 0.270 4.796 4.527 -0.000 0.000 0.290 340 F C 2.275 178.190 175.800 0.192 0.000 1.115 340 F CA 0.741 58.831 58.000 0.151 0.000 1.445 340 F CB -0.367 38.747 39.000 0.190 0.000 1.126 340 F HN -0.023 nan 8.300 nan 0.000 0.574 341 V N 2.299 122.443 119.914 0.384 0.000 2.250 341 V HA -0.267 3.852 4.120 -0.000 0.000 0.250 341 V C -0.179 176.036 176.094 0.202 0.000 1.060 341 V CA 2.316 64.790 62.300 0.291 0.000 1.030 341 V CB -2.009 29.969 31.823 0.257 0.000 0.643 341 V HN 0.167 nan 8.190 nan 0.000 0.445 342 P HA -0.106 nan 4.420 nan 0.000 0.222 342 P C 1.576 178.954 177.300 0.131 0.000 1.147 342 P CA 1.347 64.516 63.100 0.114 0.000 0.790 342 P CB -0.044 31.702 31.700 0.076 0.000 0.780 343 I N -1.418 119.263 120.570 0.185 0.000 2.716 343 I HA -0.041 4.129 4.170 -0.000 0.000 0.259 343 I C 2.300 178.627 176.117 0.350 0.000 1.172 343 I CA 0.516 61.960 61.300 0.239 0.000 1.478 343 I CB -1.528 36.627 38.000 0.259 0.000 1.104 343 I HN -0.043 nan 8.210 nan 0.000 0.439 344 L N 0.313 121.722 121.223 0.310 0.000 2.270 344 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 344 L C 2.441 179.392 176.870 0.135 0.000 1.104 344 L CA 1.365 56.369 54.840 0.274 0.000 0.804 344 L CB -0.358 41.790 42.059 0.148 0.000 0.937 344 L HN 0.170 nan 8.230 nan 0.000 0.450 345 Q N -1.187 118.682 119.800 0.115 0.000 2.230 345 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 345 Q C 1.912 177.921 176.000 0.014 0.000 0.963 345 Q CA 0.656 56.504 55.803 0.075 0.000 0.866 345 Q CB 0.054 28.840 28.738 0.079 0.000 0.931 345 Q HN 0.127 nan 8.270 nan 0.000 0.452 346 K N 0.485 120.891 120.400 0.009 0.000 2.148 346 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 346 K C 1.810 178.321 176.600 -0.147 0.000 1.050 346 K CA 1.240 57.511 56.287 -0.027 0.000 0.942 346 K CB 0.216 32.732 32.500 0.026 0.000 0.724 346 K HN 0.186 nan 8.250 nan 0.000 0.446 347 Q N -1.221 118.381 119.800 -0.330 0.000 2.339 347 Q HA 0.073 4.413 4.340 -0.000 0.000 0.205 347 Q C -0.259 175.154 176.000 -0.979 0.000 0.925 347 Q CA 0.478 55.813 55.803 -0.779 0.000 0.898 347 Q CB 0.603 28.454 28.738 -1.478 0.000 1.013 347 Q HN 0.131 nan 8.270 nan 0.000 0.504 348 F N -0.115 119.704 119.950 -0.218 0.000 2.622 348 F HA 0.317 4.844 4.527 -0.000 0.000 0.338 348 F C -1.829 173.931 175.800 -0.068 0.000 1.334 348 F CA -1.829 56.090 58.000 -0.136 0.000 1.179 348 F CB 1.529 40.428 39.000 -0.169 0.000 1.471 348 F HN -0.066 nan 8.300 nan 0.000 0.576 349 P HA -0.257 nan 4.420 nan 0.000 0.218 349 P C 1.595 178.940 177.300 0.074 0.000 1.146 349 P CA 1.526 64.661 63.100 0.059 0.000 0.820 349 P CB 0.197 31.922 31.700 0.040 0.000 0.778 350 E N -0.131 120.128 120.200 0.097 0.000 2.347 350 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 350 E C 0.676 177.274 176.600 -0.002 0.000 1.008 350 E CA 0.374 56.802 56.400 0.048 0.000 0.852 350 E CB -0.789 28.931 29.700 0.034 0.000 0.783 350 E HN 0.281 nan 8.360 nan 0.000 0.505 351 I N 2.295 122.882 120.570 0.027 0.000 2.587 351 I HA -0.100 4.070 4.170 -0.000 0.000 0.284 351 I C 1.234 177.372 176.117 0.036 0.000 1.134 351 I CA -0.239 61.070 61.300 0.016 0.000 1.410 351 I CB 1.307 39.337 38.000 0.050 0.000 1.392 351 I HN -0.153 nan 8.210 nan 0.000 0.545 352 V N 4.354 124.279 119.914 0.018 0.000 2.825 352 V HA 0.040 4.160 4.120 -0.000 0.000 0.246 352 V C 0.286 176.405 176.094 0.041 0.000 1.068 352 V CA 1.257 63.571 62.300 0.024 0.000 1.088 352 V CB -0.243 31.583 31.823 0.005 0.000 0.733 352 V HN 0.821 nan 8.190 nan 0.000 0.468 353 D N -1.576 118.856 120.400 0.055 0.000 2.937 353 D HA 0.251 4.891 4.640 -0.000 0.000 0.215 353 D C -1.854 174.532 176.300 0.144 0.000 1.274 353 D CA -0.429 53.618 54.000 0.079 0.000 0.869 353 D CB 1.859 42.662 40.800 0.004 0.000 1.675 353 D HN -0.043 nan 8.370 nan 0.000 0.538 354 F N 4.643 124.609 119.950 0.028 0.000 2.444 354 F HA 0.602 5.129 4.527 -0.000 0.000 0.342 354 F C -1.818 174.038 175.800 0.093 0.000 1.121 354 F CA -0.575 57.434 58.000 0.016 0.000 0.997 354 F CB 1.001 40.017 39.000 0.027 0.000 1.130 354 F HN 0.267 nan 8.300 nan 0.000 0.454 355 Y N 6.221 126.121 120.300 -0.667 0.000 2.492 355 Y HA 0.676 5.225 4.550 -0.000 0.000 0.346 355 Y C -1.877 173.675 175.900 -0.580 0.000 0.997 355 Y CA -1.905 55.918 58.100 -0.463 0.000 1.025 355 Y CB 1.757 40.036 38.460 -0.302 0.000 1.263 355 Y HN 0.536 nan 8.280 nan 0.000 0.454 356 L N 8.291 129.043 121.223 -0.785 0.000 2.470 356 L HA 0.368 4.708 4.340 -0.000 0.000 0.253 356 L C -2.463 173.955 176.870 -0.752 0.000 1.163 356 L CA -1.872 52.573 54.840 -0.658 0.000 0.932 356 L CB 1.451 43.315 42.059 -0.326 0.000 1.213 356 L HN 0.474 nan 8.230 nan 0.000 0.485 357 P HA 0.024 nan 4.420 nan 0.000 0.264 357 P C -2.273 174.907 177.300 -0.200 0.000 1.183 357 P CA -0.840 61.856 63.100 -0.674 0.000 0.763 357 P CB 0.600 32.106 31.700 -0.323 0.000 0.807 358 P HA -0.206 nan 4.420 nan 0.000 0.216 358 P C 1.198 178.521 177.300 0.038 0.000 1.153 358 P CA 1.717 64.835 63.100 0.031 0.000 0.858 358 P CB -0.143 31.603 31.700 0.077 0.000 0.789 359 E N -0.839 119.392 120.200 0.052 0.000 2.273 359 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 359 E C 1.853 178.445 176.600 -0.013 0.000 1.002 359 E CA 1.400 57.816 56.400 0.026 0.000 0.828 359 E CB -1.290 28.434 29.700 0.039 0.000 0.747 359 E HN 0.271 nan 8.360 nan 0.000 0.491 360 G N -0.844 107.945 108.800 -0.019 0.000 3.518 360 G HA2 0.158 4.118 3.960 -0.000 0.000 0.273 360 G HA3 0.158 4.118 3.960 -0.000 0.000 0.273 360 G C 0.114 174.983 174.900 -0.052 0.000 1.199 360 G CA -0.039 45.027 45.100 -0.056 0.000 0.899 360 G HN 0.267 nan 8.290 nan 0.000 0.533 361 C N -0.822 118.496 119.300 0.030 0.000 4.475 361 C HA -0.234 4.226 4.460 -0.000 0.000 0.280 361 C C 1.756 176.909 174.990 0.271 0.000 1.338 361 C CA 0.400 59.520 59.018 0.171 0.000 1.893 361 C CB -2.463 25.384 27.740 0.178 0.000 1.299 361 C HN 1.047 nan 8.230 nan 0.000 0.767 362 S N -1.887 113.889 115.700 0.127 0.000 3.533 362 S HA -0.301 4.169 4.470 -0.000 0.000 0.347 362 S C 0.234 174.980 174.600 0.243 0.000 1.101 362 S CA 2.231 60.504 58.200 0.122 0.000 1.009 362 S CB -0.996 62.283 63.200 0.132 0.000 0.916 362 S HN 2.176 nan 8.310 nan 0.000 0.496 363 Y N -2.791 117.540 120.300 0.051 0.000 2.809 363 Y HA 0.354 4.903 4.550 -0.000 0.000 0.322 363 Y C 0.921 176.891 175.900 0.117 0.000 0.901 363 Y CA 0.204 58.363 58.100 0.098 0.000 0.976 363 Y CB -0.363 38.178 38.460 0.134 0.000 1.429 363 Y HN 0.133 nan 8.280 nan 0.000 0.563 364 R N 1.183 121.322 120.500 -0.601 0.000 2.127 364 R HA 0.312 4.652 4.340 -0.000 0.000 0.217 364 R C -0.113 176.154 176.300 -0.055 0.000 1.074 364 R CA 0.973 56.784 56.100 -0.481 0.000 0.991 364 R CB 0.620 30.644 30.300 -0.460 0.000 0.895 364 R HN 0.349 nan 8.270 nan 0.000 0.450 365 L N 0.322 121.519 121.223 -0.043 0.000 2.365 365 L HA 0.646 4.985 4.340 -0.000 0.000 0.273 365 L C -1.490 175.313 176.870 -0.113 0.000 1.000 365 L CA -0.659 54.206 54.840 0.042 0.000 0.819 365 L CB 1.799 43.886 42.059 0.046 0.000 1.284 365 L HN -0.073 nan 8.230 nan 0.000 0.418 366 A N 4.373 127.114 122.820 -0.132 0.000 2.380 366 A HA 0.843 5.163 4.320 -0.000 0.000 0.315 366 A C -1.477 175.929 177.584 -0.296 0.000 1.101 366 A CA -0.549 51.262 52.037 -0.375 0.000 0.771 366 A CB 2.046 20.743 19.000 -0.504 0.000 1.287 366 A HN 0.474 nan 8.150 nan 0.000 0.436 367 V N 1.931 121.611 119.914 -0.390 0.000 2.482 367 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 367 V C -0.716 175.233 176.094 -0.242 0.000 1.026 367 V CA -0.503 61.657 62.300 -0.233 0.000 0.856 367 V CB 1.341 33.055 31.823 -0.183 0.000 1.001 367 V HN 0.680 nan 8.190 nan 0.000 0.424 368 V N 3.479 123.297 119.914 -0.159 0.000 2.448 368 V HA 0.639 4.758 4.120 -0.000 0.000 0.295 368 V C 0.290 176.341 176.094 -0.072 0.000 1.025 368 V CA -0.520 61.738 62.300 -0.071 0.000 0.859 368 V CB 2.062 33.882 31.823 -0.006 0.000 0.988 368 V HN 0.961 nan 8.190 nan 0.000 0.431 369 T N 2.975 117.501 114.554 -0.047 0.000 2.824 369 T HA 0.883 5.233 4.350 -0.000 0.000 0.280 369 T C -0.549 174.115 174.700 -0.060 0.000 0.995 369 T CA -0.510 61.558 62.100 -0.054 0.000 1.009 369 T CB 1.569 70.414 68.868 -0.039 0.000 0.955 369 T HN 0.744 nan 8.240 nan 0.000 0.452 370 I N -1.474 119.039 120.570 -0.096 0.000 3.191 370 I HA 0.621 4.791 4.170 -0.000 0.000 0.313 370 I C -0.686 175.365 176.117 -0.110 0.000 1.193 370 I CA -1.439 59.784 61.300 -0.129 0.000 0.968 370 I CB 2.282 40.127 38.000 -0.259 0.000 1.262 370 I HN 0.627 nan 8.210 nan 0.000 0.456 371 K N 3.048 123.391 120.400 -0.095 0.000 2.231 371 K HA 0.279 4.599 4.320 -0.000 0.000 0.255 371 K C -0.363 176.204 176.600 -0.054 0.000 1.108 371 K CA -0.433 55.839 56.287 -0.024 0.000 0.997 371 K CB 0.370 32.886 32.500 0.026 0.000 1.549 371 K HN 0.750 nan 8.250 nan 0.000 0.419 372 K N 2.577 122.925 120.400 -0.086 0.000 2.485 372 K HA -0.103 4.217 4.320 -0.000 0.000 0.277 372 K C 0.202 176.833 176.600 0.053 0.000 0.990 372 K CA 0.854 57.045 56.287 -0.160 0.000 0.994 372 K CB 0.550 32.931 32.500 -0.199 0.000 0.906 372 K HN 0.611 nan 8.250 nan 0.000 0.488 373 Q N 2.228 121.970 119.800 -0.096 0.000 2.140 373 Q HA 0.127 4.467 4.340 -0.000 0.000 0.227 373 Q C -1.341 174.534 176.000 -0.209 0.000 0.798 373 Q CA -0.299 55.498 55.803 -0.011 0.000 0.987 373 Q CB 0.726 29.523 28.738 0.099 0.000 1.161 373 Q HN 0.662 nan 8.270 nan 0.000 0.480 374 Y N -3.829 115.991 120.300 -0.801 0.000 2.732 374 Y HA 0.633 5.183 4.550 -0.000 0.000 0.342 374 Y C -1.399 174.044 175.900 -0.762 0.000 1.203 374 Y CA -2.032 55.649 58.100 -0.698 0.000 1.092 374 Y CB 0.065 38.328 38.460 -0.327 0.000 1.345 374 Y HN -0.152 nan 8.280 nan 0.000 0.458 375 A N 1.046 123.737 122.820 -0.215 0.000 2.511 375 A HA 0.462 4.782 4.320 -0.000 0.000 0.242 375 A C 1.488 179.047 177.584 -0.041 0.000 1.069 375 A CA 1.010 52.932 52.037 -0.192 0.000 0.763 375 A CB -1.074 17.901 19.000 -0.041 0.000 1.001 375 A HN 2.452 nan 8.150 nan 0.000 0.498 376 G N 0.707 109.440 108.800 -0.112 0.000 2.179 376 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 376 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 376 G C 0.873 175.774 174.900 0.001 0.000 0.977 376 G CA 1.229 46.312 45.100 -0.029 0.000 0.641 376 G HN 1.240 nan 8.290 nan 0.000 0.533 377 H N 0.411 119.298 119.070 -0.305 0.000 2.353 377 H HA -0.029 4.527 4.556 -0.000 0.000 0.298 377 H C 2.939 178.085 175.328 -0.304 0.000 1.103 377 H CA 1.809 57.558 56.048 -0.499 0.000 1.293 377 H CB 0.011 29.129 29.762 -1.075 0.000 1.372 377 H HN 0.653 nan 8.280 nan 0.000 0.501 378 A N 0.762 123.467 122.820 -0.191 0.000 1.940 378 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 378 A C 2.227 179.727 177.584 -0.142 0.000 1.176 378 A CA 1.916 53.828 52.037 -0.207 0.000 0.631 378 A CB -0.278 18.614 19.000 -0.179 0.000 0.814 378 A HN 0.323 nan 8.150 nan 0.000 0.446 379 K N -0.411 119.947 120.400 -0.071 0.000 2.097 379 K HA -0.070 4.249 4.320 -0.000 0.000 0.205 379 K C 2.183 178.763 176.600 -0.033 0.000 1.050 379 K CA 1.374 57.640 56.287 -0.034 0.000 0.938 379 K CB -0.311 32.196 32.500 0.012 0.000 0.718 379 K HN 0.538 nan 8.250 nan 0.000 0.442 380 R N 0.828 121.332 120.500 0.007 0.000 2.081 380 R HA -0.063 4.276 4.340 -0.000 0.000 0.235 380 R C 0.456 176.680 176.300 -0.125 0.000 1.131 380 R CA 0.879 56.996 56.100 0.028 0.000 0.960 380 R CB -0.246 30.146 30.300 0.153 0.000 0.856 380 R HN -0.022 nan 8.270 nan 0.000 0.436 385 V N 0.617 120.364 119.914 -0.278 0.000 2.358 385 V HA -0.043 4.076 4.120 -0.000 0.000 0.246 385 V C 2.139 178.270 176.094 0.063 0.000 1.047 385 V CA 1.561 63.768 62.300 -0.156 0.000 1.035 385 V CB -0.466 31.163 31.823 -0.322 0.000 0.658 385 V HN 0.520 nan 8.190 nan 0.000 0.452 386 W N 0.386 121.733 121.300 0.077 0.000 3.077 386 W HA 0.116 4.776 4.660 -0.000 0.000 0.245 386 W C 1.992 178.557 176.519 0.077 0.000 1.316 386 W CA 1.084 58.469 57.345 0.068 0.000 1.537 386 W CB -0.676 28.789 29.460 0.009 0.000 1.131 386 W HN 0.603 nan 8.180 nan 0.000 0.695 387 S N -3.144 112.745 115.700 0.315 0.000 2.761 387 S HA -0.026 4.443 4.470 -0.000 0.000 0.273 387 S C 1.353 176.121 174.600 0.280 0.000 1.073 387 S CA -0.249 58.105 58.200 0.256 0.000 1.048 387 S CB -0.735 62.606 63.200 0.235 0.000 0.955 387 S HN -0.067 nan 8.310 nan 0.000 0.500 388 F N 3.640 123.698 119.950 0.180 0.000 1.993 388 F HA 0.279 4.806 4.527 -0.000 0.000 0.297 388 F C 0.660 176.515 175.800 0.092 0.000 1.177 388 F CA 0.982 59.088 58.000 0.177 0.000 1.182 388 F CB -0.609 38.579 39.000 0.313 0.000 0.958 388 F HN 0.159 nan 8.300 nan 0.000 0.496 389 L N 0.757 121.939 121.223 -0.068 0.000 2.399 389 L HA 0.244 4.583 4.340 -0.000 0.000 0.266 389 L C 1.695 178.471 176.870 -0.156 0.000 1.114 389 L CA -0.314 54.327 54.840 -0.331 0.000 0.804 389 L CB 1.038 42.793 42.059 -0.507 0.000 1.146 389 L HN 0.130 nan 8.230 nan 0.000 0.451 390 R N 1.074 121.457 120.500 -0.195 0.000 2.075 390 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 390 R C 1.788 178.070 176.300 -0.031 0.000 1.114 390 R CA 0.985 57.051 56.100 -0.056 0.000 0.972 390 R CB 0.099 30.364 30.300 -0.058 0.000 0.869 390 R HN 0.776 nan 8.270 nan 0.000 0.437 391 Q N -0.225 119.403 119.800 -0.287 0.000 2.508 391 Q HA -0.073 4.267 4.340 -0.000 0.000 0.214 391 Q C 0.225 176.222 176.000 -0.005 0.000 0.979 391 Q CA 0.926 56.549 55.803 -0.300 0.000 0.911 391 Q CB -0.119 28.206 28.738 -0.688 0.000 0.969 391 Q HN 0.341 nan 8.270 nan 0.000 0.504 395 T N 2.536 117.346 114.554 0.426 0.000 2.769 395 T HA 0.092 4.442 4.350 -0.000 0.000 0.293 395 T C 1.234 176.106 174.700 0.286 0.000 0.931 395 T CA 0.090 62.373 62.100 0.305 0.000 1.139 395 T CB 0.900 69.939 68.868 0.286 0.000 0.881 395 T HN 0.214 nan 8.240 nan 0.000 0.532 396 K N 2.263 122.707 120.400 0.073 0.000 2.103 396 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 396 K C -0.047 176.383 176.600 -0.285 0.000 1.052 396 K CA 1.022 57.194 56.287 -0.193 0.000 0.945 396 K CB 0.149 32.417 32.500 -0.386 0.000 0.722 396 K HN 0.471 nan 8.250 nan 0.000 0.443 397 F N 0.668 120.707 119.950 0.148 0.000 2.467 397 F HA 0.290 4.817 4.527 -0.000 0.000 0.336 397 F C -0.368 175.487 175.800 0.090 0.000 1.123 397 F CA -1.081 57.004 58.000 0.143 0.000 0.964 397 F CB 1.658 40.689 39.000 0.052 0.000 1.136 397 F HN -0.391 nan 8.300 nan 0.000 0.447 398 V N 5.115 125.170 119.914 0.235 0.000 2.487 398 V HA 0.483 4.602 4.120 -0.000 0.000 0.298 398 V C -0.234 175.852 176.094 -0.015 0.000 1.028 398 V CA -0.746 61.527 62.300 -0.045 0.000 0.860 398 V CB 2.052 33.610 31.823 -0.442 0.000 0.991 398 V HN 0.567 nan 8.190 nan 0.000 0.427 399 I N 5.060 125.604 120.570 -0.044 0.000 2.411 399 I HA 0.436 4.606 4.170 -0.000 0.000 0.284 399 I C -0.659 175.411 176.117 -0.077 0.000 1.012 399 I CA -0.739 60.549 61.300 -0.020 0.000 1.119 399 I CB 1.973 39.993 38.000 0.034 0.000 1.261 399 I HN 0.281 nan 8.210 nan 0.000 0.448 400 V N 5.493 125.355 119.914 -0.088 0.000 2.394 400 V HA 0.434 4.554 4.120 -0.000 0.000 0.282 400 V C 0.023 176.067 176.094 -0.083 0.000 1.031 400 V CA -0.298 61.933 62.300 -0.114 0.000 0.881 400 V CB 1.362 33.090 31.823 -0.159 0.000 0.982 400 V HN 0.829 nan 8.190 nan 0.000 0.451 401 C N 2.588 121.841 119.300 -0.079 0.000 3.108 401 C HA 0.512 4.972 4.460 -0.000 0.000 0.321 401 C C -0.151 174.808 174.990 -0.052 0.000 1.357 401 C CA -0.945 58.044 59.018 -0.049 0.000 1.562 401 C CB 2.100 29.825 27.740 -0.025 0.000 2.003 401 C HN 0.821 nan 8.230 nan 0.000 0.460 402 D N 1.394 121.785 120.400 -0.015 0.000 2.354 402 D HA 0.107 4.747 4.640 -0.000 0.000 0.247 402 D C 0.286 176.594 176.300 0.013 0.000 1.138 402 D CA 0.132 54.133 54.000 0.003 0.000 0.958 402 D CB 0.781 41.610 40.800 0.048 0.000 1.144 402 D HN 0.710 nan 8.370 nan 0.000 0.458 403 D N -0.123 120.285 120.400 0.014 0.000 2.384 403 D HA -0.192 4.448 4.640 -0.000 0.000 0.222 403 D C 0.756 177.076 176.300 0.033 0.000 0.976 403 D CA 0.596 54.605 54.000 0.015 0.000 0.915 403 D CB -0.163 40.647 40.800 0.016 0.000 0.896 403 D HN 0.399 nan 8.370 nan 0.000 0.523 404 D N 0.437 120.875 120.400 0.064 0.000 2.336 404 D HA 0.008 4.648 4.640 -0.000 0.000 0.228 404 D C -0.057 176.318 176.300 0.124 0.000 1.120 404 D CA -0.414 53.642 54.000 0.093 0.000 0.839 404 D CB 0.097 40.978 40.800 0.135 0.000 0.932 404 D HN 0.025 nan 8.370 nan 0.000 0.509 405 V N 1.047 121.011 119.914 0.083 0.000 2.680 405 V HA 0.241 4.361 4.120 -0.000 0.000 0.309 405 V C -0.379 175.715 176.094 -0.000 0.000 1.052 405 V CA -1.126 61.223 62.300 0.083 0.000 0.908 405 V CB 1.822 33.694 31.823 0.081 0.000 1.001 405 V HN 0.049 nan 8.190 nan 0.000 0.431 406 N N 2.925 121.606 118.700 -0.031 0.000 2.558 406 N HA 0.378 5.118 4.740 -0.000 0.000 0.233 406 N C 0.945 176.346 175.510 -0.181 0.000 1.038 406 N CA 0.236 53.221 53.050 -0.107 0.000 0.934 406 N CB 1.498 39.918 38.487 -0.112 0.000 1.175 406 N HN 0.781 nan 8.380 nan 0.000 0.512 407 A N 3.867 126.569 122.820 -0.196 0.000 2.042 407 A HA -0.182 4.138 4.320 -0.000 0.000 0.222 407 A C 1.760 179.112 177.584 -0.386 0.000 1.167 407 A CA 1.409 53.307 52.037 -0.233 0.000 0.649 407 A CB -0.169 18.739 19.000 -0.153 0.000 0.809 407 A HN 0.752 nan 8.150 nan 0.000 0.457 408 R N -0.692 119.464 120.500 -0.574 0.000 2.334 408 R HA 0.127 4.466 4.340 -0.000 0.000 0.220 408 R C -0.510 175.530 176.300 -0.432 0.000 0.917 408 R CA 0.247 55.867 56.100 -0.800 0.000 1.073 408 R CB 0.233 29.979 30.300 -0.924 0.000 1.056 408 R HN 0.291 nan 8.270 nan 0.000 0.506 409 D N -0.958 119.228 120.400 -0.356 0.000 2.462 409 D HA 0.050 4.689 4.640 -0.000 0.000 0.245 409 D C -0.063 176.120 176.300 -0.195 0.000 1.122 409 D CA -0.689 53.183 54.000 -0.213 0.000 0.864 409 D CB 0.557 41.284 40.800 -0.120 0.000 1.098 409 D HN 0.027 nan 8.370 nan 0.000 0.541 410 W N 2.604 123.927 121.300 0.039 0.000 2.468 410 W HA -0.078 4.582 4.660 -0.000 0.000 0.262 410 W C 1.571 178.120 176.519 0.049 0.000 1.241 410 W CA 0.109 57.481 57.345 0.044 0.000 1.232 410 W CB 0.001 29.480 29.460 0.033 0.000 1.124 410 W HN 0.450 nan 8.180 nan 0.000 0.597 411 N N -0.140 118.684 118.700 0.206 0.000 2.331 411 N HA -0.128 4.612 4.740 -0.000 0.000 0.180 411 N C 0.809 176.411 175.510 0.154 0.000 1.019 411 N CA 1.513 54.650 53.050 0.145 0.000 0.881 411 N CB -0.254 38.265 38.487 0.053 0.000 0.972 411 N HN 0.072 nan 8.380 nan 0.000 0.435 412 D N -0.821 119.655 120.400 0.127 0.000 2.216 412 D HA 0.032 4.672 4.640 -0.000 0.000 0.208 412 D C 1.810 178.270 176.300 0.266 0.000 0.960 412 D CA 0.355 54.475 54.000 0.200 0.000 0.861 412 D CB 0.172 41.029 40.800 0.095 0.000 0.985 412 D HN -0.052 nan 8.370 nan 0.000 0.493 413 V N 0.578 120.588 119.914 0.161 0.000 2.307 413 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 413 V C 2.127 178.369 176.094 0.247 0.000 1.045 413 V CA 1.071 63.465 62.300 0.156 0.000 1.024 413 V CB -0.275 31.572 31.823 0.040 0.000 0.651 413 V HN 0.152 nan 8.190 nan 0.000 0.449 414 I N -0.946 119.820 120.570 0.326 0.000 2.286 414 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 414 I C 2.134 178.387 176.117 0.227 0.000 1.115 414 I CA 1.470 62.923 61.300 0.255 0.000 1.392 414 I CB -0.527 37.610 38.000 0.229 0.000 1.065 414 I HN 0.527 nan 8.210 nan 0.000 0.418 415 W N 1.554 122.897 121.300 0.072 0.000 2.335 415 W HA -0.291 4.369 4.660 -0.000 0.000 0.311 415 W C 2.526 179.070 176.519 0.042 0.000 1.213 415 W CA 2.288 59.658 57.345 0.042 0.000 1.274 415 W CB -0.723 28.755 29.460 0.031 0.000 1.148 415 W HN 0.141 nan 8.180 nan 0.000 0.498 416 A N 0.405 123.194 122.820 -0.052 0.000 1.877 416 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 416 A C 2.165 179.675 177.584 -0.124 0.000 1.186 416 A CA 2.167 54.070 52.037 -0.223 0.000 0.620 416 A CB -1.080 17.891 19.000 -0.049 0.000 0.822 416 A HN 0.385 nan 8.150 nan 0.000 0.443 417 I N 0.160 120.724 120.570 -0.009 0.000 2.179 417 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 417 I C 2.838 178.948 176.117 -0.012 0.000 1.088 417 I CA 2.022 63.333 61.300 0.017 0.000 1.357 417 I CB -0.624 37.417 38.000 0.068 0.000 1.051 417 I HN 0.581 nan 8.210 nan 0.000 0.409 418 T N -3.008 111.536 114.554 -0.017 0.000 3.023 418 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 418 T C 1.613 176.256 174.700 -0.095 0.000 1.093 418 T CA 1.286 63.370 62.100 -0.028 0.000 1.129 418 T CB -0.576 68.303 68.868 0.019 0.000 0.899 418 T HN 0.454 nan 8.240 nan 0.000 0.491 419 T N -1.382 113.046 114.554 -0.210 0.000 3.022 419 T HA 0.394 4.744 4.350 -0.000 0.000 0.250 419 T C 0.883 175.384 174.700 -0.332 0.000 1.060 419 T CA -0.628 61.286 62.100 -0.309 0.000 1.013 419 T CB 0.202 68.758 68.868 -0.521 0.000 0.982 419 T HN 0.373 nan 8.240 nan 0.000 0.508 423 P HA -0.338 nan 4.420 nan 0.000 0.224 423 P C 1.275 178.599 177.300 0.040 0.000 1.153 423 P CA 2.770 65.893 63.100 0.039 0.000 0.947 423 P CB 0.166 31.885 31.700 0.031 0.000 0.790 424 A N 0.264 123.105 122.820 0.035 0.000 1.862 424 A HA -0.292 4.027 4.320 -0.000 0.000 0.217 424 A C 2.086 179.691 177.584 0.035 0.000 1.251 424 A CA 3.309 55.366 52.037 0.032 0.000 0.673 424 A CB -1.431 17.587 19.000 0.030 0.000 0.843 424 A HN 0.304 nan 8.150 nan 0.000 0.458 425 R N -0.479 120.045 120.500 0.039 0.000 2.313 425 R HA 0.132 4.471 4.340 -0.000 0.000 0.199 425 R C -0.106 176.217 176.300 0.039 0.000 0.958 425 R CA 1.273 57.395 56.100 0.037 0.000 1.047 425 R CB -0.392 29.930 30.300 0.037 0.000 0.955 425 R HN 0.383 nan 8.270 nan 0.000 0.481 426 D N 0.027 120.454 120.400 0.046 0.000 2.402 426 D HA 0.090 4.730 4.640 -0.000 0.000 0.216 426 D C -0.484 175.846 176.300 0.050 0.000 1.128 426 D CA 0.270 54.297 54.000 0.044 0.000 0.833 426 D CB 0.822 41.654 40.800 0.054 0.000 0.971 426 D HN 0.079 nan 8.370 nan 0.000 0.503 427 T N 0.470 115.056 114.554 0.054 0.000 2.807 427 T HA 0.431 4.781 4.350 -0.000 0.000 0.279 427 T C -0.082 174.658 174.700 0.068 0.000 0.993 427 T CA -0.510 61.630 62.100 0.068 0.000 0.970 427 T CB 2.623 71.531 68.868 0.067 0.000 0.950 427 T HN -0.307 nan 8.240 nan 0.000 0.441 428 V N 4.689 124.661 119.914 0.096 0.000 2.347 428 V HA 0.439 4.559 4.120 -0.000 0.000 0.280 428 V C -0.786 175.357 176.094 0.081 0.000 1.021 428 V CA -0.811 61.550 62.300 0.101 0.000 0.847 428 V CB 1.299 33.221 31.823 0.166 0.000 0.990 428 V HN 0.577 nan 8.190 nan 0.000 0.444 429 L N 5.962 127.194 121.223 0.015 0.000 2.324 429 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 429 L C -0.279 176.530 176.870 -0.102 0.000 1.012 429 L CA -0.015 54.795 54.840 -0.049 0.000 0.859 429 L CB 1.590 43.628 42.059 -0.035 0.000 1.224 429 L HN 0.509 nan 8.230 nan 0.000 0.429 430 V N 5.145 124.938 119.914 -0.203 0.000 2.394 430 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 430 V C 0.232 176.183 176.094 -0.239 0.000 1.031 430 V CA -0.279 61.886 62.300 -0.225 0.000 0.881 430 V CB 1.422 33.052 31.823 -0.321 0.000 0.982 430 V HN 0.813 nan 8.190 nan 0.000 0.451 431 E N 3.958 124.057 120.200 -0.167 0.000 2.267 431 E HA 0.400 4.750 4.350 -0.000 0.000 0.258 431 E C -0.015 176.497 176.600 -0.146 0.000 1.074 431 E CA -0.669 55.640 56.400 -0.151 0.000 0.915 431 E CB 0.621 30.259 29.700 -0.104 0.000 1.186 431 E HN 0.850 nan 8.360 nan 0.000 0.439 432 N N 0.620 119.243 118.700 -0.129 0.000 2.686 432 N HA -0.186 4.554 4.740 -0.000 0.000 0.261 432 N C -0.924 174.508 175.510 -0.130 0.000 1.001 432 N CA 0.755 53.738 53.050 -0.112 0.000 0.764 432 N CB -1.019 37.419 38.487 -0.082 0.000 0.898 432 N HN 0.500 nan 8.380 nan 0.000 0.544 433 T N -3.034 111.418 114.554 -0.170 0.000 2.940 433 T HA 0.687 5.036 4.350 -0.000 0.000 0.288 433 T C -2.950 171.641 174.700 -0.183 0.000 1.045 433 T CA -2.035 59.946 62.100 -0.198 0.000 1.018 433 T CB 2.797 71.486 68.868 -0.298 0.000 1.151 433 T HN -0.141 nan 8.240 nan 0.000 0.529 434 P HA 0.474 nan 4.420 nan 0.000 0.281 434 P C -0.848 176.292 177.300 -0.267 0.000 1.252 434 P CA -0.356 62.629 63.100 -0.192 0.000 0.778 434 P CB 0.427 31.992 31.700 -0.225 0.000 0.895 435 I N -1.530 119.027 120.570 -0.022 0.000 3.006 435 I HA 0.504 4.674 4.170 -0.000 0.000 0.306 435 I C -0.696 175.678 176.117 0.429 0.000 1.250 435 I CA -1.372 60.035 61.300 0.180 0.000 0.996 435 I CB 1.634 39.652 38.000 0.031 0.000 1.261 435 I HN 0.024 nan 8.210 nan 0.000 0.442 436 D N 2.302 123.017 120.400 0.525 0.000 2.923 436 D HA -0.177 4.463 4.640 -0.000 0.000 0.220 436 D C 0.520 176.952 176.300 0.220 0.000 1.099 436 D CA 0.983 55.160 54.000 0.294 0.000 0.807 436 D CB 0.238 41.203 40.800 0.275 0.000 1.155 436 D HN 0.643 nan 8.370 nan 0.000 0.524 437 Y N 2.878 123.242 120.300 0.107 0.000 2.403 437 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 437 Y C 1.789 177.740 175.900 0.085 0.000 1.143 437 Y CA 1.038 59.192 58.100 0.090 0.000 1.257 437 Y CB 0.238 38.743 38.460 0.075 0.000 0.984 437 Y HN 0.497 nan 8.280 nan 0.000 0.550 438 L N -0.534 120.816 121.223 0.212 0.000 2.592 438 L HA 0.045 4.384 4.340 -0.000 0.000 0.227 438 L C 0.231 177.169 176.870 0.114 0.000 1.127 438 L CA 0.013 54.958 54.840 0.175 0.000 0.884 438 L CB 0.000 42.167 42.059 0.179 0.000 1.065 438 L HN -0.030 nan 8.230 nan 0.000 0.457 439 D N 1.034 121.460 120.400 0.043 0.000 2.422 439 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 439 D C 1.093 177.299 176.300 -0.157 0.000 1.190 439 D CA -0.488 53.442 54.000 -0.116 0.000 0.905 439 D CB 0.689 41.443 40.800 -0.076 0.000 1.034 439 D HN 0.225 nan 8.370 nan 0.000 0.507 440 F N 2.057 121.960 119.950 -0.078 0.000 2.722 440 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 440 F C 1.650 177.395 175.800 -0.092 0.000 1.175 440 F CA 0.117 58.060 58.000 -0.096 0.000 1.462 440 F CB -0.590 38.332 39.000 -0.130 0.000 1.111 440 F HN 0.290 nan 8.300 nan 0.000 0.592 441 A N 0.342 122.939 122.820 -0.372 0.000 2.072 441 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 441 A C 1.586 179.114 177.584 -0.094 0.000 1.156 441 A CA 0.475 52.395 52.037 -0.195 0.000 0.701 441 A CB -0.954 17.874 19.000 -0.286 0.000 0.816 441 A HN 0.438 nan 8.150 nan 0.000 0.458 442 S N 0.196 115.833 115.700 -0.105 0.000 2.585 442 S HA 0.286 4.756 4.470 -0.000 0.000 0.273 442 S C -1.020 173.544 174.600 -0.060 0.000 1.339 442 S CA -0.520 57.627 58.200 -0.088 0.000 1.028 442 S CB 0.707 63.847 63.200 -0.100 0.000 0.906 442 S HN 0.260 nan 8.310 nan 0.000 0.528 443 P HA 0.004 nan 4.420 nan 0.000 0.219 443 P C -0.007 177.263 177.300 -0.050 0.000 1.146 443 P CA 0.777 63.851 63.100 -0.045 0.000 0.808 443 P CB 0.008 31.679 31.700 -0.047 0.000 0.779 444 V N -0.877 118.992 119.914 -0.075 0.000 2.925 444 V HA 0.242 4.362 4.120 -0.000 0.000 0.311 444 V C 0.036 176.034 176.094 -0.160 0.000 1.104 444 V CA -0.919 61.324 62.300 -0.095 0.000 0.954 444 V CB 2.022 33.795 31.823 -0.084 0.000 1.022 444 V HN -0.094 nan 8.190 nan 0.000 0.427 445 S N 2.233 117.795 115.700 -0.230 0.000 2.509 445 S HA 0.413 4.883 4.470 -0.000 0.000 0.287 445 S C 1.210 175.387 174.600 -0.705 0.000 1.248 445 S CA 1.076 58.991 58.200 -0.474 0.000 1.089 445 S CB -0.251 62.609 63.200 -0.567 0.000 0.900 445 S HN 2.010 nan 8.310 nan 0.000 0.496 446 G N 3.076 111.542 108.800 -0.557 0.000 2.179 446 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 446 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 446 G C -0.303 174.553 174.900 -0.072 0.000 0.977 446 G CA 0.417 45.365 45.100 -0.253 0.000 0.641 446 G HN 0.910 nan 8.290 nan 0.000 0.533 447 L N -0.126 121.026 121.223 -0.119 0.000 2.455 447 L HA 0.871 5.210 4.340 -0.000 0.000 0.264 447 L C 0.348 177.155 176.870 -0.106 0.000 0.968 447 L CA 0.668 55.453 54.840 -0.091 0.000 0.827 447 L CB 1.835 43.848 42.059 -0.077 0.000 1.317 447 L HN 0.957 nan 8.230 nan 0.000 0.407 448 G N 1.367 110.093 108.800 -0.123 0.000 2.510 448 G HA2 0.562 4.522 3.960 -0.000 0.000 0.277 448 G HA3 0.562 4.522 3.960 -0.000 0.000 0.277 448 G C -1.656 173.137 174.900 -0.177 0.000 1.223 448 G CA 0.094 45.113 45.100 -0.135 0.000 0.887 448 G HN 0.915 nan 8.290 nan 0.000 0.485 449 S N -1.063 114.513 115.700 -0.206 0.000 2.599 449 S HA 0.856 5.326 4.470 -0.000 0.000 0.294 449 S C -0.715 173.669 174.600 -0.360 0.000 1.094 449 S CA -0.687 57.355 58.200 -0.264 0.000 0.931 449 S CB 2.725 65.800 63.200 -0.207 0.000 1.093 449 S HN 0.705 nan 8.310 nan 0.000 0.488 453 L N 2.083 123.363 121.223 0.095 0.000 2.319 453 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 453 L C -0.614 176.268 176.870 0.020 0.000 1.005 453 L CA -0.659 54.224 54.840 0.072 0.000 0.828 453 L CB 2.041 44.154 42.059 0.091 0.000 1.227 453 L HN 0.520 nan 8.230 nan 0.000 0.415 454 D N 3.205 123.614 120.400 0.015 0.000 2.479 454 D HA 0.363 5.003 4.640 -0.000 0.000 0.218 454 D C 0.329 176.633 176.300 0.006 0.000 1.131 454 D CA -0.109 53.882 54.000 -0.015 0.000 0.916 454 D CB 1.412 42.198 40.800 -0.024 0.000 1.022 454 D HN 0.559 nan 8.370 nan 0.000 0.515 455 A N 3.283 126.104 122.820 0.001 0.000 2.684 455 A HA 0.249 4.569 4.320 -0.000 0.000 0.288 455 A C 0.926 178.520 177.584 0.017 0.000 1.337 455 A CA -0.381 51.667 52.037 0.019 0.000 0.946 455 A CB -0.456 18.554 19.000 0.016 0.000 1.093 455 A HN 0.483 nan 8.150 nan 0.000 0.543 456 T N -2.430 112.124 114.554 0.001 0.000 2.874 456 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 456 T C -0.002 174.734 174.700 0.060 0.000 0.994 456 T CA -0.701 61.400 62.100 0.000 0.000 1.015 456 T CB 0.293 69.114 68.868 -0.078 0.000 1.028 456 T HN 0.364 nan 8.240 nan 0.000 0.523 457 N N 1.836 120.594 118.700 0.096 0.000 2.440 457 N HA 0.099 4.839 4.740 -0.000 0.000 0.265 457 N C -0.178 175.132 175.510 -0.334 0.000 1.239 457 N CA -0.337 52.735 53.050 0.038 0.000 0.909 457 N CB 0.400 38.943 38.487 0.093 0.000 1.066 457 N HN 0.355 nan 8.380 nan 0.000 0.474 458 K N 2.000 121.741 120.400 -1.098 0.000 2.298 458 K HA 0.155 4.475 4.320 -0.000 0.000 0.280 458 K C -0.342 175.931 176.600 -0.545 0.000 1.032 458 K CA -0.056 55.767 56.287 -0.774 0.000 0.958 458 K CB 0.492 32.517 32.500 -0.793 0.000 0.978 458 K HN 0.415 nan 8.250 nan 0.000 0.472 459 W N 3.047 124.067 121.300 -0.467 0.000 2.367 459 W HA 0.290 4.950 4.660 -0.000 0.000 0.369 459 W C -1.067 175.337 176.519 -0.191 0.000 1.276 459 W CA -2.007 55.160 57.345 -0.295 0.000 1.415 459 W CB -0.811 28.547 29.460 -0.171 0.000 1.306 459 W HN 0.419 nan 8.180 nan 0.000 0.669 460 P HA -0.239 nan 4.420 nan 0.000 0.219 460 P C 1.382 178.721 177.300 0.064 0.000 1.153 460 P CA 3.122 66.261 63.100 0.065 0.000 0.865 460 P CB -0.160 31.576 31.700 0.061 0.000 0.788 461 G N -0.350 108.500 108.800 0.084 0.000 2.403 461 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 461 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 461 G C 1.512 176.428 174.900 0.026 0.000 1.154 461 G CA 0.497 45.626 45.100 0.049 0.000 0.784 461 G HN 0.303 nan 8.290 nan 0.000 0.538 462 E N -0.834 119.372 120.200 0.011 0.000 2.076 462 E HA 0.059 4.408 4.350 -0.000 0.000 0.190 462 E C 1.060 177.662 176.600 0.002 0.000 0.979 462 E CA 0.796 57.188 56.400 -0.013 0.000 0.807 462 E CB 0.119 29.781 29.700 -0.063 0.000 0.761 462 E HN 0.263 nan 8.360 nan 0.000 0.454 463 T N -0.298 114.253 114.554 -0.006 0.000 2.912 463 T HA 0.148 4.498 4.350 -0.000 0.000 0.288 463 T C -0.689 174.050 174.700 0.066 0.000 1.030 463 T CA -0.783 61.352 62.100 0.057 0.000 1.020 463 T CB 1.268 70.204 68.868 0.114 0.000 1.056 463 T HN -0.027 nan 8.240 nan 0.000 0.480 464 Q N 3.590 123.442 119.800 0.086 0.000 2.182 464 Q HA 0.314 4.654 4.340 -0.000 0.000 0.270 464 Q C 0.098 176.149 176.000 0.084 0.000 0.861 464 Q CA -0.591 55.254 55.803 0.070 0.000 1.098 464 Q CB 0.425 29.195 28.738 0.054 0.000 1.188 464 Q HN 0.659 nan 8.270 nan 0.000 0.464 465 R N -1.487 119.087 120.500 0.124 0.000 2.795 465 R HA 0.541 4.880 4.340 -0.000 0.000 0.268 465 R C -1.162 175.238 176.300 0.167 0.000 1.041 465 R CA -1.031 55.145 56.100 0.126 0.000 0.927 465 R CB 0.639 31.010 30.300 0.118 0.000 1.235 465 R HN -0.222 nan 8.270 nan 0.000 0.463 466 E N 1.630 121.907 120.200 0.128 0.000 1.985 466 E HA 0.028 4.378 4.350 -0.000 0.000 0.268 466 E C -0.886 175.828 176.600 0.190 0.000 1.219 466 E CA 0.062 56.542 56.400 0.134 0.000 0.942 466 E CB 0.117 29.859 29.700 0.071 0.000 1.045 466 E HN 0.310 nan 8.360 nan 0.000 0.413 467 W N 2.266 123.557 121.300 -0.014 0.000 2.124 467 W HA 0.171 4.830 4.660 -0.000 0.000 0.356 467 W C 0.794 177.301 176.519 -0.020 0.000 1.302 467 W CA -0.060 57.274 57.345 -0.018 0.000 1.293 467 W CB 0.810 30.254 29.460 -0.027 0.000 1.199 467 W HN 0.506 nan 8.180 nan 0.000 0.606 468 G N 2.695 111.366 108.800 -0.214 0.000 2.400 468 G HA2 0.429 4.389 3.960 -0.000 0.000 0.301 468 G HA3 0.429 4.389 3.960 -0.000 0.000 0.301 468 G C -0.919 173.986 174.900 0.008 0.000 1.154 468 G CA -0.856 44.170 45.100 -0.124 0.000 0.852 468 G HN 0.466 nan 8.290 nan 0.000 0.511 469 R N 2.533 123.051 120.500 0.029 0.000 2.207 469 R HA 0.273 4.612 4.340 -0.000 0.000 0.334 469 R C -2.006 174.336 176.300 0.070 0.000 1.013 469 R CA -1.191 54.945 56.100 0.059 0.000 0.858 469 R CB 0.944 31.271 30.300 0.044 0.000 1.094 469 R HN 0.463 nan 8.270 nan 0.000 0.457 470 P HA 0.037 nan 4.420 nan 0.000 0.267 470 P C -0.226 177.139 177.300 0.107 0.000 1.200 470 P CA -0.021 63.177 63.100 0.164 0.000 0.772 470 P CB 0.830 32.672 31.700 0.236 0.000 0.855 471 I N 2.464 123.092 120.570 0.097 0.000 2.406 471 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 471 I C 0.936 177.068 176.117 0.025 0.000 1.101 471 I CA 0.062 61.389 61.300 0.045 0.000 1.334 471 I CB -0.140 37.874 38.000 0.024 0.000 1.421 471 I HN 0.139 nan 8.210 nan 0.000 0.513 472 K N 7.326 127.739 120.400 0.023 0.000 2.221 472 K HA 0.433 4.753 4.320 -0.000 0.000 0.258 472 K C -0.615 175.985 176.600 0.001 0.000 0.944 472 K CA -0.964 55.329 56.287 0.011 0.000 0.823 472 K CB 1.847 34.360 32.500 0.022 0.000 1.113 472 K HN 0.440 nan 8.250 nan 0.000 0.431 473 K N 2.288 122.682 120.400 -0.010 0.000 2.143 473 K HA 0.142 4.461 4.320 -0.000 0.000 0.272 473 K C -0.423 176.175 176.600 -0.003 0.000 1.001 473 K CA -0.847 55.435 56.287 -0.009 0.000 0.915 473 K CB 0.942 33.431 32.500 -0.019 0.000 1.047 473 K HN 0.618 nan 8.250 nan 0.000 0.458 474 D N 3.392 123.793 120.400 0.003 0.000 2.351 474 D HA 0.018 4.657 4.640 -0.000 0.000 0.251 474 D C -1.432 174.872 176.300 0.007 0.000 1.137 474 D CA -1.583 52.420 54.000 0.005 0.000 0.879 474 D CB 1.292 42.097 40.800 0.008 0.000 1.181 474 D HN 0.276 nan 8.370 nan 0.000 0.448 475 P HA -0.199 nan 4.420 nan 0.000 0.216 475 P C 0.665 177.976 177.300 0.018 0.000 1.150 475 P CA 0.973 64.077 63.100 0.006 0.000 0.843 475 P CB 0.362 32.064 31.700 0.003 0.000 0.787 476 D N 0.081 120.492 120.400 0.019 0.000 2.149 476 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 476 D C 2.033 178.367 176.300 0.055 0.000 0.990 476 D CA 1.559 55.575 54.000 0.025 0.000 0.839 476 D CB -0.739 40.066 40.800 0.008 0.000 0.948 476 D HN 0.208 nan 8.370 nan 0.000 0.460 477 V N -1.661 118.287 119.914 0.057 0.000 2.788 477 V HA -0.065 4.054 4.120 -0.000 0.000 0.251 477 V C 2.211 178.361 176.094 0.092 0.000 1.068 477 V CA 0.678 63.036 62.300 0.097 0.000 1.090 477 V CB -0.522 31.343 31.823 0.070 0.000 0.710 477 V HN 0.002 nan 8.190 nan 0.000 0.467 478 V N 1.405 121.346 119.914 0.046 0.000 2.358 478 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 478 V C 3.171 179.282 176.094 0.028 0.000 1.047 478 V CA 2.063 64.372 62.300 0.014 0.000 1.035 478 V CB -1.314 30.501 31.823 -0.013 0.000 0.658 478 V HN 0.624 nan 8.190 nan 0.000 0.452 479 A N -0.208 122.642 122.820 0.050 0.000 1.902 479 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 479 A C 2.164 179.817 177.584 0.116 0.000 1.181 479 A CA 2.366 54.440 52.037 0.061 0.000 0.623 479 A CB -0.852 18.181 19.000 0.055 0.000 0.818 479 A HN 0.708 nan 8.150 nan 0.000 0.443 480 H N 0.958 120.042 119.070 0.024 0.000 2.290 480 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 480 H C 1.786 177.152 175.328 0.062 0.000 1.087 480 H CA 2.043 58.113 56.048 0.037 0.000 1.291 480 H CB -0.473 29.308 29.762 0.031 0.000 1.369 480 H HN 0.557 nan 8.280 nan 0.000 0.492 481 I N -1.978 118.548 120.570 -0.073 0.000 3.111 481 I HA -0.023 4.147 4.170 -0.000 0.000 0.272 481 I C 1.469 177.624 176.117 0.063 0.000 1.268 481 I CA 1.230 62.477 61.300 -0.088 0.000 1.467 481 I CB -0.109 37.902 38.000 0.018 0.000 1.087 481 I HN -0.012 nan 8.210 nan 0.000 0.467 482 D N 2.299 122.725 120.400 0.043 0.000 2.097 482 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 482 D C 2.288 178.650 176.300 0.104 0.000 0.989 482 D CA 1.902 55.933 54.000 0.053 0.000 0.827 482 D CB 0.029 40.839 40.800 0.017 0.000 0.966 482 D HN 0.525 nan 8.370 nan 0.000 0.456 483 A N -0.135 122.734 122.820 0.082 0.000 2.167 483 A HA -0.017 4.302 4.320 -0.000 0.000 0.214 483 A C 1.734 179.360 177.584 0.069 0.000 1.151 483 A CA 0.556 52.643 52.037 0.083 0.000 0.735 483 A CB -0.101 18.955 19.000 0.095 0.000 0.802 483 A HN 0.176 nan 8.150 nan 0.000 0.467 484 I N -2.624 117.974 120.570 0.046 0.000 3.939 484 I HA -0.042 4.128 4.170 -0.000 0.000 0.313 484 I C 1.959 178.117 176.117 0.067 0.000 1.274 484 I CA -0.255 61.049 61.300 0.006 0.000 1.301 484 I CB -1.268 36.652 38.000 -0.132 0.000 1.105 484 I HN 0.677 nan 8.210 nan 0.000 0.427 485 W N 3.221 124.492 121.300 -0.049 0.000 2.290 485 W HA -0.336 4.323 4.660 -0.000 0.000 0.318 485 W C 1.728 178.252 176.519 0.008 0.000 1.248 485 W CA 2.199 59.537 57.345 -0.013 0.000 1.263 485 W CB -0.023 29.439 29.460 0.004 0.000 1.147 485 W HN 0.172 nan 8.180 nan 0.000 0.494 486 D N -0.108 120.304 120.400 0.021 0.000 2.084 486 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 486 D C 1.844 178.061 176.300 -0.139 0.000 0.990 486 D CA 2.047 56.001 54.000 -0.075 0.000 0.826 486 D CB -0.733 40.082 40.800 0.025 0.000 0.971 486 D HN 0.233 nan 8.370 nan 0.000 0.453 487 E N 0.251 120.399 120.200 -0.085 0.000 2.065 487 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 487 E C 0.333 176.842 176.600 -0.151 0.000 1.016 487 E CA 0.724 57.071 56.400 -0.089 0.000 0.818 487 E CB -0.183 29.484 29.700 -0.055 0.000 0.749 487 E HN 0.229 nan 8.360 nan 0.000 0.453 488 L N 1.447 122.541 121.223 -0.216 0.000 2.617 488 L HA 0.101 4.441 4.340 -0.000 0.000 0.282 488 L C 0.358 176.992 176.870 -0.394 0.000 1.174 488 L CA -0.180 54.486 54.840 -0.289 0.000 1.016 488 L CB 0.137 41.995 42.059 -0.335 0.000 1.337 488 L HN 0.143 nan 8.230 nan 0.000 0.460 489 A N 3.944 126.603 122.820 -0.269 0.000 2.863 489 A HA 0.066 4.386 4.320 -0.000 0.000 0.246 489 A C 1.679 179.087 177.584 -0.294 0.000 1.772 489 A CA -0.147 51.745 52.037 -0.242 0.000 1.456 489 A CB -0.634 18.277 19.000 -0.148 0.000 0.930 489 A HN 0.669 nan 8.150 nan 0.000 0.630 490 I N -1.139 119.154 120.570 -0.462 0.000 2.163 490 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 490 I C 1.587 177.319 176.117 -0.641 0.000 1.085 490 I CA 2.003 62.942 61.300 -0.602 0.000 1.347 490 I CB -1.080 36.415 38.000 -0.841 0.000 1.044 490 I HN 0.582 nan 8.210 nan 0.000 0.408 491 F N 0.002 119.852 119.950 -0.167 0.000 2.727 491 F HA 0.195 4.722 4.527 -0.000 0.000 0.302 491 F C 1.342 177.105 175.800 -0.062 0.000 1.107 491 F CA -0.583 57.378 58.000 -0.066 0.000 1.277 491 F CB -0.370 38.633 39.000 0.006 0.000 1.079 491 F HN -0.013 nan 8.300 nan 0.000 0.594 492 N N 0.000 118.732 118.700 0.054 0.000 1.763 492 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 492 N CA 0.000 53.060 53.050 0.017 0.000 0.885 492 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 492 N HN 0.000 nan 8.380 nan 0.000 0.667