============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. TRP 8 1.040 27.395 22.016 26.621 -99.200 -91.000 TRP6 8 1.020 25.103 21.449 26.662 -99.200 -91.000 PHE 21 1.000 30.168 29.787 30.587 -99.200 -91.000 HIS 33 0.900 26.324 24.444 20.622 -99.200 -91.000 PHE 35 1.000 25.708 20.239 21.596 -99.200 -91.000 TRP 38 1.040 17.005 16.021 12.861 -99.200 -91.000 TRP6 38 1.020 16.234 16.314 10.655 -99.200 -91.000 PHE 42 1.000 10.668 26.166 19.230 -99.200 -91.000 TRP 44 1.040 12.567 18.737 26.125 -99.200 -91.000 TRP6 44 1.020 14.783 19.435 25.693 -99.200 -91.000 TYR 48 0.840 15.750 23.582 28.499 -99.200 -91.000 TYR 53 0.840 16.060 33.617 21.371 -99.200 -91.000 TRP 63 1.040 16.814 19.387 14.445 -99.200 -91.000 TRP6 63 1.020 15.773 20.248 12.520 -99.200 -91.000 TRP 66 1.040 22.445 10.937 17.222 -99.200 -91.000 TRP6 66 1.020 24.214 9.387 17.220 -99.200 -91.000 TYR 68 0.840 13.702 10.957 10.635 -99.200 -91.000 TYR 81 0.840 11.617 16.341 14.037 -99.200 -91.000 TYR 92 0.840 10.701 31.369 20.744 -99.200 -91.000 TRP 97 1.040 22.562 32.672 14.716 -99.200 -91.000 TRP6 97 1.020 24.751 33.343 15.311 -99.200 -91.000 HIS 102 0.900 27.339 18.416 15.188 -99.200 -91.000 TRP 108 1.040 32.176 12.382 15.121 -99.200 -91.000 TRP6 108 1.020 34.320 12.899 14.298 -99.200 -91.000 TYR 109 0.840 28.010 13.499 15.539 -99.200 -91.000 TRP 111 1.040 24.906 13.891 10.846 -99.200 -91.000 TRP6 111 1.020 24.314 13.359 13.063 -99.200 -91.000 TYR 115 0.840 27.660 5.725 10.763 -99.200 -91.000 TYR 125 0.840 25.737 17.360 4.761 -99.200 -91.000 PHE 129 1.000 22.620 22.656 5.414 -99.200 -91.000 HIS 131 0.900 12.945 17.850 1.083 -99.200 -91.000 PHE 136 1.000 13.295 24.702 9.636 -99.200 -91.000 TRP 146 1.040 18.584 27.651 7.082 -99.200 -91.000 TRP6 146 1.020 17.801 25.775 8.260 -99.200 -91.000 PHE 148 1.000 29.324 23.286 5.235 -99.200 -91.000 TYR 161 0.840 38.854 21.104 6.267 -99.200 -91.000 HIS 164 0.900 30.514 18.523 4.085 -99.200 -91.000 TYR 165 0.840 28.908 26.080 1.071 -99.200 -91.000 TYR 170 0.840 19.687 25.594 -1.272 -99.200 -91.000 TYR 173 0.840 25.654 33.586 10.848 -99.200 -91.000 TYR 179 0.840 35.867 20.026 21.453 -99.200 -91.000 TRP 181 1.040 40.876 15.935 21.052 -99.200 -91.000 TRP6 181 1.020 39.026 14.926 22.106 -99.200 -91.000 TRP 187 1.040 42.345 9.317 20.051 -99.200 -91.000 TRP6 187 1.020 43.320 11.210 19.017 -99.200 -91.000 TRP 191 1.040 49.220 22.147 24.099 -99.200 -91.000 TRP6 191 1.020 47.880 22.117 26.020 -99.200 -91.000 PHE 194 1.000 41.309 29.217 17.670 -99.200 -91.000 PHE 198 1.000 39.168 25.676 16.082 -99.200 -91.000 TYR 202 0.840 39.805 31.872 9.086 -99.200 -91.000 PHE 217 1.000 36.963 28.719 21.542 -99.200 -91.000 TRP 229 1.040 45.032 25.824 23.261 -99.200 -91.000 TRP6 229 1.020 42.729 26.240 22.856 -99.200 -91.000 TYR 234 0.840 38.316 34.140 23.344 -99.200 -91.000 TYR 241 0.840 42.079 31.457 12.958 -99.200 -91.000 TRP 249 1.040 35.289 26.749 26.699 -99.200 -91.000 TRP6 249 1.020 37.534 27.167 26.095 -99.200 -91.000 PHE 250 1.000 31.070 20.386 24.688 -99.200 -91.000 HIS 251 0.900 32.144 25.592 31.868 -99.200 -91.000 TRP 258 1.040 36.091 18.899 26.711 -99.200 -91.000 TRP6 258 1.020 38.107 18.703 25.465 -99.200 -91.000 TYR 270 0.840 36.595 31.805 28.134 -99.200 -91.000 HIS 279 0.900 28.986 46.500 28.534 -99.200 -91.000 HIS 280 0.900 29.492 43.949 21.906 -99.200 -91.000 HIS 281 0.900 22.935 48.766 28.413 -99.200 -91.000 HIS 282 0.900 19.626 42.584 25.418 -99.200 -91.000 HIS 283 0.900 15.882 48.231 27.752 -99.200 -91.000 HIS 284 0.900 14.893 41.419 26.108 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bv9A1 SER 7 HA 0.07 -0.10 0.27 -0.75 4.49 3.98 2bv9A1 SER 7 HB2 0.08 0.02 0.14 -0.04 3.95 4.15 2bv9A1 SER 7 HB3 0.09 0.02 0.04 -0.04 3.93 4.04 2bv9A1 GLY 8 H 0.08 0.07 0.13 -0.55 8.43 8.16 2bv9A1 GLY 8 HA2 0.07 0.23 0.87 -0.51 4.01 4.66 2bv9A1 GLY 8 HA3 0.06 -0.01 0.33 -0.51 4.01 3.88 2bv9A1 LEU 9 H 0.10 -0.03 0.00 -0.55 8.37 7.90 2bv9A1 LEU 9 HA 0.08 0.10 0.20 -0.75 4.35 3.98 2bv9A1 LEU 9 HB2 0.08 0.01 0.02 -0.04 1.64 1.70 2bv9A1 LEU 9 HB3 0.10 -0.02 0.03 -0.04 1.64 1.71 2bv9A1 LEU 9 HG 0.13 0.13 -0.40 -0.04 1.64 1.46 2bv9A1 LEU 9 HD13 0.05 -0.01 -0.41 -0.04 0.93 0.52 2bv9A1 LEU 9 HD23 0.15 -0.03 -0.14 -0.04 0.89 0.83 2bv9A1 LYS 10 H 0.09 0.53 0.35 -0.55 8.42 8.84 2bv9A1 LYS 10 HA 0.05 0.16 0.73 -0.75 4.32 4.51 2bv9A1 LYS 10 HB2 0.10 -0.06 0.19 -0.04 1.87 2.07 2bv9A1 LYS 10 HB3 0.01 -0.08 0.01 -0.04 1.79 1.69 2bv9A1 LYS 10 HG2 -0.05 0.02 0.04 -0.04 1.46 1.44 2bv9A1 LYS 10 HG3 0.04 0.22 0.13 -0.04 1.46 1.81 2bv9A1 LYS 10 HD2 0.17 -0.09 -0.04 -0.04 1.69 1.68 2bv9A1 LYS 10 HD3 -0.05 -0.01 -0.03 -0.04 1.68 1.54 2bv9A1 LYS 10 HE2 0.15 0.07 0.02 -0.04 2.99 3.19 2bv9A1 LYS 10 HE3 0.29 -0.07 -0.04 -0.04 2.99 3.14 2bv9A1 ILE 11 H 0.08 0.22 0.26 -0.55 8.25 8.26 2bv9A1 ILE 11 HA 0.22 0.22 0.99 -0.75 4.18 4.86 2bv9A1 ILE 11 HB 0.11 0.02 0.18 -0.04 1.89 2.17 2bv9A1 ILE 11 HG12 0.10 0.10 -0.13 -0.04 1.49 1.52 2bv9A1 ILE 11 HG13 0.04 0.05 -0.00 -0.04 1.21 1.25 2bv9A1 ILE 11 HG23 0.25 -0.02 -0.08 -0.04 0.93 1.04 2bv9A1 ILE 11 HD13 0.22 0.00 -0.08 -0.04 0.88 0.99 2bv9A1 GLY 12 H 0.26 0.67 0.48 -0.55 8.43 9.30 2bv9A1 GLY 12 HA2 0.07 0.27 1.09 -0.51 4.01 4.93 2bv9A1 GLY 12 HA3 0.10 -0.05 0.29 -0.51 4.01 3.85 2bv9A1 ALA 13 H 0.05 0.47 0.32 -0.55 8.40 8.69 2bv9A1 ALA 13 HA 0.22 0.22 0.46 -0.75 4.34 4.48 2bv9A1 ALA 13 HB3 -0.40 0.04 -0.06 -0.04 1.41 0.95 2bv9A1 TRP 14 H 0.45 0.48 0.25 -0.55 7.97 8.61 2bv9A1 TRP 14 HA 0.02 0.23 0.78 -0.75 4.62 4.89 2bv9A1 TRP 14 HB2 0.20 0.06 0.13 -0.04 3.23 3.58 2bv9A1 TRP 14 HB3 0.17 -0.02 0.28 -0.04 3.23 3.63 2bv9A1 TRP 14 HD1 -1.00 -0.08 -0.20 -0.04 7.22 5.90 2bv9A1 TRP 14 HE1 -0.29 0.03 -0.14 -0.04 10.20 9.77 2bv9A1 TRP 14 HE3 0.05 0.35 0.04 -0.04 7.59 7.99 2bv9A1 TRP 14 HZ2 0.02 0.07 -0.30 -0.04 7.44 7.19 2bv9A1 TRP 14 HZ3 0.12 -0.06 0.04 -0.04 7.13 7.20 2bv9A1 TRP 14 HH2 0.09 -0.05 -0.23 -0.04 7.19 6.96 2bv9A1 VAL 15 H -0.66 0.28 0.08 -0.55 8.24 7.39 2bv9A1 VAL 15 HA -0.61 0.15 0.61 -0.75 4.13 3.52 2bv9A1 VAL 15 HB -0.28 0.04 0.15 -0.04 2.12 1.98 2bv9A1 VAL 15 HG13 -0.55 0.04 -0.07 -0.04 0.97 0.34 2bv9A1 VAL 15 HG23 -0.34 -0.01 -0.17 -0.04 0.95 0.38 2bv9A1 GLY 16 H -2.07 0.01 -0.36 -0.55 8.43 5.46 2bv9A1 GLY 16 HA2 -0.21 0.00 0.38 -0.51 4.01 3.67 2bv9A1 GLY 16 HA3 -0.17 0.11 0.61 -0.51 4.01 4.05 2bv9A1 THR 17 H -1.02 0.23 -0.24 -0.55 8.28 6.70 2bv9A1 THR 17 HA -0.06 0.09 0.55 -0.75 4.39 4.22 2bv9A1 THR 17 HB -0.08 0.09 -0.18 -0.04 4.32 4.10 2bv9A1 THR 17 HG23 -0.16 0.09 -0.20 -0.04 1.22 0.91 2bv9A1 GLN 18 H 0.02 0.11 0.13 -0.55 8.47 8.18 2bv9A1 GLN 18 HA -0.06 0.12 0.55 -0.75 4.36 4.21 2bv9A1 GLN 18 HB2 -0.08 -0.06 0.05 -0.04 2.15 2.02 2bv9A1 GLN 18 HB3 -0.90 0.08 0.04 -0.04 2.02 1.20 2bv9A1 GLN 18 HG2 0.16 -0.06 0.14 -0.04 2.40 2.59 2bv9A1 GLN 18 HG3 0.16 0.03 0.05 -0.04 2.39 2.59 2bv9A1 GLN 18 HE21 0.35 0.06 0.05 -0.04 6.97 7.39 2bv9A1 GLN 18 HE22 0.34 -0.02 0.03 -0.04 7.69 8.01 2bv9A1 PRO 19 HA -0.11 0.08 0.36 -0.51 4.44 4.26 2bv9A1 PRO 19 HB2 -0.04 0.07 0.13 -0.04 2.28 2.39 2bv9A1 PRO 19 HB3 -0.11 0.04 0.08 -0.04 2.02 1.99 2bv9A1 PRO 19 HG2 -0.01 0.01 0.03 -0.04 2.03 2.01 2bv9A1 PRO 19 HG3 -0.01 0.10 -0.07 -0.04 2.03 2.01 2bv9A1 PRO 19 HD2 -0.37 0.03 0.14 -0.04 3.68 3.44 2bv9A1 PRO 19 HD3 -0.04 0.18 0.28 -0.04 3.65 4.03 2bv9A1 SER 20 H 0.07 0.44 0.08 -0.55 8.46 8.50 2bv9A1 SER 20 HA 0.06 0.16 0.60 -0.75 4.49 4.55 2bv9A1 SER 20 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.01 2bv9A1 SER 20 HB3 0.10 0.10 0.09 -0.04 3.93 4.17 2bv9A1 GLU 21 H -0.04 0.19 0.15 -0.55 8.60 8.36 2bv9A1 GLU 21 HA -0.03 0.19 0.45 -0.75 4.29 4.16 2bv9A1 GLU 21 HB2 -0.04 0.09 0.16 -0.04 2.09 2.26 2bv9A1 GLU 21 HB3 -0.03 -0.07 0.15 -0.04 1.99 1.99 2bv9A1 GLU 21 HG2 -0.02 -0.04 -0.23 -0.04 2.34 2.01 2bv9A1 GLU 21 HG3 -0.02 0.09 0.04 -0.04 2.34 2.41 2bv9A1 SER 22 H -0.02 0.08 -0.13 -0.55 8.46 7.84 2bv9A1 SER 22 HA -0.02 0.13 0.37 -0.75 4.49 4.22 2bv9A1 SER 22 HB2 -0.01 0.05 -0.01 -0.04 3.95 3.94 2bv9A1 SER 22 HB3 -0.01 0.04 0.06 -0.04 3.93 3.98 2bv9A1 ALA 23 H -0.02 0.05 -0.32 -0.55 8.40 7.57 2bv9A1 ALA 23 HA -0.03 0.07 0.41 -0.75 4.34 4.04 2bv9A1 ALA 23 HB3 -0.08 0.01 0.04 -0.04 1.41 1.34 2bv9A1 ILE 24 H -0.03 0.53 -0.22 -0.55 8.25 7.97 2bv9A1 ILE 24 HA -0.02 0.02 0.45 -0.75 4.18 3.87 2bv9A1 ILE 24 HB -0.03 0.10 0.11 -0.04 1.89 2.03 2bv9A1 ILE 24 HG12 -0.07 -0.05 -0.03 -0.04 1.49 1.30 2bv9A1 ILE 24 HG13 -0.05 -0.03 -0.11 -0.04 1.21 0.98 2bv9A1 ILE 24 HG23 -0.03 0.01 -0.12 -0.04 0.93 0.75 2bv9A1 ILE 24 HD13 -0.05 0.01 -0.23 -0.04 0.88 0.58 2bv9A1 LYS 25 H -0.01 0.53 -0.10 -0.55 8.42 8.28 2bv9A1 LYS 25 HA -0.01 0.05 0.39 -0.75 4.32 4.00 2bv9A1 LYS 25 HB2 -0.01 0.04 0.17 -0.04 1.87 2.02 2bv9A1 LYS 25 HB3 -0.01 -0.03 -0.03 -0.04 1.79 1.68 2bv9A1 LYS 25 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 2bv9A1 LYS 25 HG3 -0.02 0.10 0.07 -0.04 1.46 1.58 2bv9A1 LYS 25 HD2 -0.01 -0.07 -0.10 -0.04 1.69 1.46 2bv9A1 LYS 25 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2bv9A1 LYS 25 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 2bv9A1 LYS 25 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.92 2bv9A1 SER 26 H -0.01 0.58 -0.14 -0.55 8.46 8.35 2bv9A1 SER 26 HA -0.02 0.01 0.39 -0.75 4.49 4.11 2bv9A1 SER 26 HB2 -0.01 0.00 0.13 -0.04 3.95 4.03 2bv9A1 SER 26 HB3 0.01 0.12 0.11 -0.04 3.93 4.13 2bv9A1 PHE 27 H 0.09 0.47 -0.24 -0.55 8.34 8.11 2bv9A1 PHE 27 HA -0.17 -0.01 0.49 -0.75 4.62 4.17 2bv9A1 PHE 27 HB2 -0.18 0.04 0.15 -0.04 3.15 3.13 2bv9A1 PHE 27 HB3 -0.13 0.12 0.14 -0.04 3.06 3.16 2bv9A1 PHE 27 HD2 -0.38 0.06 -0.09 -0.04 7.28 6.82 2bv9A1 PHE 27 HE2 -0.60 -0.04 -0.06 -0.04 7.38 6.64 2bv9A1 PHE 27 HZ -0.34 -0.02 -0.02 -0.04 7.32 6.90 2bv9A1 GLN 28 H 0.04 0.57 -0.05 -0.55 8.47 8.49 2bv9A1 GLN 28 HA -0.06 0.12 0.54 -0.75 4.36 4.21 2bv9A1 GLN 28 HB2 -0.01 0.04 0.11 -0.04 2.15 2.25 2bv9A1 GLN 28 HB3 -0.01 -0.03 -0.09 -0.04 2.02 1.84 2bv9A1 GLN 28 HG2 0.05 0.09 0.16 -0.04 2.40 2.66 2bv9A1 GLN 28 HG3 0.07 0.12 0.11 -0.04 2.39 2.65 2bv9A1 GLN 28 HE21 -0.03 0.06 -0.02 -0.04 6.97 6.95 2bv9A1 GLN 28 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 2bv9A1 GLU 29 H -0.07 0.56 -0.23 -0.55 8.60 8.32 2bv9A1 GLU 29 HA -0.06 0.03 0.41 -0.75 4.29 3.91 2bv9A1 GLU 29 HB2 -0.06 0.11 0.17 -0.04 2.09 2.27 2bv9A1 GLU 29 HB3 -0.06 -0.06 0.03 -0.04 1.99 1.86 2bv9A1 GLU 29 HG2 -0.03 -0.04 -0.00 -0.04 2.34 2.22 2bv9A1 GLU 29 HG3 -0.03 0.06 0.01 -0.04 2.34 2.34 2bv9A1 LEU 30 H -0.21 0.40 -0.21 -0.55 8.37 7.80 2bv9A1 LEU 30 HA -0.15 -0.01 0.36 -0.75 4.35 3.79 2bv9A1 LEU 30 HB2 -0.22 0.05 0.14 -0.04 1.64 1.58 2bv9A1 LEU 30 HB3 -0.59 0.12 0.22 -0.04 1.64 1.35 2bv9A1 LEU 30 HG -0.31 0.00 -0.18 -0.04 1.64 1.12 2bv9A1 LEU 30 HD13 -0.09 -0.01 -0.00 -0.04 0.93 0.79 2bv9A1 LEU 30 HD23 -0.22 -0.05 -0.03 -0.04 0.89 0.55 2bv9A1 GLN 31 H -0.47 0.59 -0.01 -0.55 8.47 8.03 2bv9A1 GLN 31 HA -0.18 0.05 0.58 -0.75 4.36 4.06 2bv9A1 GLN 31 HB2 -0.02 -0.03 0.03 -0.04 2.15 2.08 2bv9A1 GLN 31 HB3 -0.60 -0.12 0.03 -0.04 2.02 1.28 2bv9A1 GLN 31 HG2 -0.34 0.13 0.02 -0.04 2.40 2.17 2bv9A1 GLN 31 HG3 -0.09 0.00 -0.22 -0.04 2.39 2.04 2bv9A1 GLN 31 HE21 0.18 -0.07 -0.27 -0.04 6.97 6.77 2bv9A1 GLN 31 HE22 0.08 0.47 -0.22 -0.04 7.69 7.98 2bv9A1 GLY 32 H -0.13 0.34 -0.40 -0.55 8.43 7.69 2bv9A1 GLY 32 HA2 -0.06 0.01 0.26 -0.51 4.01 3.71 2bv9A1 GLY 32 HA3 -0.06 -0.01 0.33 -0.51 4.01 3.76 2bv9A1 ARG 33 H -0.05 0.31 0.00 -0.55 8.46 8.18 2bv9A1 ARG 33 HA 0.02 0.05 0.63 -0.75 4.34 4.28 2bv9A1 ARG 33 HB2 -0.01 0.13 -0.41 -0.04 1.90 1.56 2bv9A1 ARG 33 HB3 0.02 -0.10 -0.23 -0.04 1.80 1.44 2bv9A1 ARG 33 HG2 0.05 0.17 -0.06 -0.04 1.67 1.79 2bv9A1 ARG 33 HG3 0.04 -0.01 0.04 -0.04 1.67 1.70 2bv9A1 ARG 33 HD2 -0.02 0.02 -0.14 -0.04 3.22 3.04 2bv9A1 ARG 33 HD3 0.03 -0.12 -0.10 -0.04 3.22 2.98 2bv9A1 LYS 34 H 0.04 0.14 0.11 -0.55 8.42 8.15 2bv9A1 LYS 34 HA 0.01 -0.03 0.55 -0.75 4.32 4.09 2bv9A1 LYS 34 HB2 0.01 -0.06 0.12 -0.04 1.87 1.90 2bv9A1 LYS 34 HB3 0.00 0.04 0.06 -0.04 1.79 1.86 2bv9A1 LYS 34 HG2 -0.07 0.00 -0.11 -0.04 1.46 1.23 2bv9A1 LYS 34 HG3 -0.05 0.00 0.07 -0.04 1.46 1.44 2bv9A1 LYS 34 HD2 -0.10 0.00 0.07 -0.04 1.69 1.63 2bv9A1 LYS 34 HD3 -0.04 0.00 0.05 -0.04 1.68 1.65 2bv9A1 LYS 34 HE2 -0.42 0.05 0.14 -0.04 2.99 2.72 2bv9A1 LYS 34 HE3 -0.14 -0.08 0.03 -0.04 2.99 2.76 2bv9A1 LEU 35 H 0.01 0.05 0.14 -0.55 8.37 8.02 2bv9A1 LEU 35 HA 0.06 0.10 0.62 -0.75 4.35 4.38 2bv9A1 LEU 35 HB2 -0.02 -0.04 0.03 -0.04 1.64 1.57 2bv9A1 LEU 35 HB3 -0.02 0.06 -0.11 -0.04 1.64 1.53 2bv9A1 LEU 35 HG 0.16 0.03 -0.02 -0.04 1.64 1.77 2bv9A1 LEU 35 HD13 0.01 -0.02 0.01 -0.04 0.93 0.88 2bv9A1 LEU 35 HD23 0.17 -0.00 -0.13 -0.04 0.89 0.88 2bv9A1 ASP 36 H 0.01 0.48 0.39 -0.55 8.40 8.72 2bv9A1 ASP 36 HA -0.11 0.23 0.79 -0.75 4.63 4.79 2bv9A1 ASP 36 HB2 -0.04 -0.06 0.14 -0.04 2.71 2.71 2bv9A1 ASP 36 HB3 -0.10 0.00 0.10 -0.04 2.70 2.66 2bv9A1 ILE 37 H -0.06 0.35 0.22 -0.55 8.25 8.21 2bv9A1 ILE 37 HA -0.29 0.32 0.91 -0.75 4.18 4.36 2bv9A1 ILE 37 HB -0.06 -0.12 -0.10 -0.04 1.89 1.57 2bv9A1 ILE 37 HG12 -0.77 0.06 -0.17 -0.04 1.49 0.56 2bv9A1 ILE 37 HG13 -0.27 -0.02 -0.59 -0.04 1.21 0.28 2bv9A1 ILE 37 HG23 -0.17 -0.01 -0.27 -0.04 0.93 0.43 2bv9A1 ILE 37 HD13 0.00 -0.01 -0.27 -0.04 0.88 0.57 2bv9A1 VAL 38 H -0.18 0.73 0.31 -0.55 8.24 8.55 2bv9A1 VAL 38 HA -0.03 0.18 1.02 -0.75 4.13 4.55 2bv9A1 VAL 38 HB -0.12 -0.01 0.06 -0.04 2.12 2.01 2bv9A1 VAL 38 HG13 -0.06 0.00 -0.00 -0.04 0.97 0.87 2bv9A1 VAL 38 HG23 -0.11 0.01 -0.18 -0.04 0.95 0.63 2bv9A1 HIS 39 H 0.17 0.54 0.30 -0.55 8.41 8.87 2bv9A1 HIS 39 HA 0.00 0.34 0.84 -0.75 4.63 5.06 2bv9A1 HIS 39 HB2 0.11 -0.01 -0.19 -0.04 3.26 3.14 2bv9A1 HIS 39 HB3 0.29 -0.13 0.05 -0.04 3.20 3.37 2bv9A1 HIS 39 HD2 -0.23 0.26 0.05 -0.04 6.97 7.00 2bv9A1 HIS 39 HE1 0.04 -0.07 -0.14 -0.04 7.75 7.53 2bv9A1 GLN 40 H 0.17 0.75 0.47 -0.55 8.47 9.32 2bv9A1 GLN 40 HA 0.39 0.07 0.77 -0.75 4.36 4.83 2bv9A1 GLN 40 HB2 0.11 0.06 -0.10 -0.04 2.15 2.18 2bv9A1 GLN 40 HB3 0.10 0.02 -0.00 -0.04 2.02 2.09 2bv9A1 GLN 40 HG2 0.23 0.05 -0.18 -0.04 2.40 2.46 2bv9A1 GLN 40 HG3 0.25 -0.06 0.12 -0.04 2.39 2.66 2bv9A1 GLN 40 HE21 -0.90 0.00 -0.03 -0.04 6.97 6.01 2bv9A1 GLN 40 HE22 -0.19 -0.04 0.02 -0.04 7.69 7.44 2bv9A1 PHE 41 H 0.32 0.18 0.18 -0.55 8.34 8.47 2bv9A1 PHE 41 HA 0.06 0.26 1.02 -0.75 4.62 5.20 2bv9A1 PHE 41 HB2 -0.14 -0.04 0.08 -0.04 3.15 3.00 2bv9A1 PHE 41 HB3 0.00 0.03 0.01 -0.04 3.06 3.06 2bv9A1 PHE 41 HD2 -0.55 -0.00 -0.06 -0.04 7.28 6.63 2bv9A1 PHE 41 HE2 -0.60 -0.02 -0.11 -0.04 7.38 6.61 2bv9A1 PHE 41 HZ -0.11 0.02 -0.10 -0.04 7.32 7.08 2bv9A1 ILE 42 H 0.30 0.76 0.42 -0.55 8.25 9.18 2bv9A1 ILE 42 HA 0.15 0.10 0.71 -0.75 4.18 4.38 2bv9A1 ILE 42 HB 0.18 -0.07 0.17 -0.04 1.89 2.12 2bv9A1 ILE 42 HG12 0.21 0.04 -0.12 -0.04 1.49 1.58 2bv9A1 ILE 42 HG13 0.55 -0.04 -0.20 -0.04 1.21 1.48 2bv9A1 ILE 42 HG23 0.25 -0.00 -0.25 -0.04 0.93 0.89 2bv9A1 ILE 42 HD13 -0.08 0.02 -0.12 -0.04 0.88 0.66 2bv9A1 ASN 43 H 0.18 0.09 0.18 -0.55 8.53 8.44 2bv9A1 ASN 43 HA 0.44 0.33 1.00 -0.75 4.76 5.77 2bv9A1 ASN 43 HB2 0.30 -0.09 0.29 -0.04 2.88 3.34 2bv9A1 ASN 43 HB3 0.23 0.08 0.09 -0.04 2.79 3.15 2bv9A1 ASN 43 HD21 -0.04 0.07 -0.02 -0.04 7.03 7.00 2bv9A1 ASN 43 HD22 -0.01 0.06 0.01 -0.04 7.74 7.76 2bv9A1 TRP 44 H 0.42 0.15 0.19 -0.55 7.97 8.18 2bv9A1 TRP 44 HA 0.34 0.28 0.67 -0.75 4.62 5.15 2bv9A1 TRP 44 HB2 -0.03 -0.19 0.11 -0.04 3.23 3.09 2bv9A1 TRP 44 HB3 -0.06 0.08 0.14 -0.04 3.23 3.35 2bv9A1 TRP 44 HD1 -0.33 -0.11 -0.88 -0.04 7.22 5.86 2bv9A1 TRP 44 HE1 -1.28 0.23 -0.31 -0.04 10.20 8.80 2bv9A1 TRP 44 HE3 -0.16 -0.03 -0.03 -0.04 7.59 7.33 2bv9A1 TRP 44 HZ2 -1.00 0.04 -0.05 -0.04 7.44 6.39 2bv9A1 TRP 44 HZ3 -0.31 -0.03 -0.06 -0.04 7.13 6.69 2bv9A1 TRP 44 HH2 -0.42 0.06 -0.06 -0.04 7.19 6.73 2bv9A1 SER 45 H 0.15 -0.03 -0.35 -0.55 8.46 7.68 2bv9A1 SER 45 HA -0.10 0.25 0.73 -0.75 4.49 4.62 2bv9A1 SER 45 HB2 0.01 -0.04 -0.03 -0.04 3.95 3.85 2bv9A1 SER 45 HB3 -0.00 0.05 0.09 -0.04 3.93 4.03 2bv9A1 THR 46 H 0.25 0.20 -0.19 -0.55 8.28 7.99 2bv9A1 THR 46 HA 0.03 0.08 0.56 -0.75 4.39 4.30 2bv9A1 THR 46 HB 0.23 0.15 0.15 -0.04 4.32 4.80 2bv9A1 THR 46 HG23 0.03 0.04 -0.11 -0.04 1.22 1.13 2bv9A1 ASP 47 H 0.17 0.15 0.19 -0.55 8.40 8.37 2bv9A1 ASP 47 HA 0.20 0.17 0.63 -0.75 4.63 4.87 2bv9A1 ASP 47 HB2 0.17 0.06 0.16 -0.04 2.71 3.06 2bv9A1 ASP 47 HB3 0.16 -0.14 0.01 -0.04 2.70 2.68 2bv9A1 PHE 48 H 0.18 0.24 0.12 -0.55 8.34 8.33 2bv9A1 PHE 48 HA 0.01 0.08 0.25 -0.75 4.62 4.21 2bv9A1 PHE 48 HB2 -0.13 0.07 0.09 -0.04 3.15 3.15 2bv9A1 PHE 48 HB3 -0.07 0.03 0.04 -0.04 3.06 3.01 2bv9A1 PHE 48 HD2 -0.13 -0.01 -0.14 -0.04 7.28 6.96 2bv9A1 PHE 48 HE2 -0.27 0.05 -0.09 -0.04 7.38 7.03 2bv9A1 PHE 48 HZ -0.99 0.07 -0.09 -0.04 7.32 6.26 2bv9A1 SER 49 H 0.13 0.07 -0.26 -0.55 8.46 7.85 2bv9A1 SER 49 HA -0.03 0.14 0.44 -0.75 4.49 4.28 2bv9A1 SER 49 HB2 0.04 0.06 0.04 -0.04 3.95 4.06 2bv9A1 SER 49 HB3 0.08 0.04 0.07 -0.04 3.93 4.08 2bv9A1 TRP 50 H 0.25 0.33 -0.32 -0.55 7.97 7.68 2bv9A1 TRP 50 HA -0.02 0.12 0.56 -0.75 4.62 4.52 2bv9A1 TRP 50 HB2 0.04 -0.05 0.08 -0.04 3.23 3.26 2bv9A1 TRP 50 HB3 0.04 0.11 0.07 -0.04 3.23 3.41 2bv9A1 TRP 50 HD1 0.06 0.01 0.02 -0.04 7.22 7.27 2bv9A1 TRP 50 HE1 0.11 0.00 0.01 -0.04 10.20 10.28 2bv9A1 TRP 50 HE3 0.06 0.05 -0.34 -0.04 7.59 7.31 2bv9A1 TRP 50 HZ2 0.12 -0.01 -0.00 -0.04 7.44 7.51 2bv9A1 TRP 50 HZ3 0.01 0.03 -0.08 -0.04 7.13 7.04 2bv9A1 TRP 50 HH2 -0.07 -0.01 0.01 -0.04 7.19 7.07 2bv9A1 VAL 51 H 0.03 0.21 -0.17 -0.55 8.24 7.77 2bv9A1 VAL 51 HA -0.03 0.02 0.45 -0.75 4.13 3.82 2bv9A1 VAL 51 HB -0.76 0.15 0.05 -0.04 2.12 1.52 2bv9A1 VAL 51 HG13 -0.14 -0.02 -0.07 -0.04 0.97 0.69 2bv9A1 VAL 51 HG23 0.22 0.01 -0.10 -0.04 0.95 1.04 2bv9A1 ARG 52 H -0.41 0.22 -0.53 -0.55 8.46 7.18 2bv9A1 ARG 52 HA -0.66 0.01 0.08 -0.75 4.34 3.02 2bv9A1 ARG 52 HB2 -0.26 0.00 0.15 -0.04 1.90 1.75 2bv9A1 ARG 52 HB3 -0.19 0.05 0.06 -0.04 1.80 1.68 2bv9A1 ARG 52 HG2 -0.06 0.00 -0.09 -0.04 1.67 1.47 2bv9A1 ARG 52 HG3 -0.21 -0.00 0.01 -0.04 1.67 1.42 2bv9A1 ARG 52 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 2bv9A1 ARG 52 HD3 0.12 0.04 -0.03 -0.04 3.22 3.30 2bv9A1 PRO 53 HA -0.20 0.07 0.43 -0.51 4.44 4.22 2bv9A1 PRO 53 HB2 -0.67 -0.01 -0.04 -0.04 2.28 1.52 2bv9A1 PRO 53 HB3 -0.31 0.02 0.09 -0.04 2.02 1.78 2bv9A1 PRO 53 HG2 -0.62 0.07 0.04 -0.04 2.03 1.48 2bv9A1 PRO 53 HG3 -0.31 0.03 0.07 -0.04 2.03 1.78 2bv9A1 PRO 53 HD2 -0.43 0.24 -0.42 -0.04 3.68 3.03 2bv9A1 PRO 53 HD3 -0.26 0.21 0.10 -0.04 3.65 3.65 2bv9A1 TYR 54 H -0.39 0.29 -0.29 -0.55 8.29 7.35 2bv9A1 TYR 54 HA -0.15 0.06 0.55 -0.75 4.56 4.26 2bv9A1 TYR 54 HB2 -0.23 0.11 0.08 -0.04 3.06 2.98 2bv9A1 TYR 54 HB3 -0.12 0.02 -0.06 -0.04 2.98 2.77 2bv9A1 TYR 54 HD2 -0.47 0.12 -0.28 -0.04 7.15 6.47 2bv9A1 TYR 54 HE2 -0.92 -0.01 -0.11 -0.04 6.85 5.76 2bv9A1 ALA 55 H -0.10 0.65 -0.01 -0.55 8.40 8.40 2bv9A1 ALA 55 HA 0.12 0.01 0.49 -0.75 4.34 4.21 2bv9A1 ALA 55 HB3 -0.11 0.03 0.02 -0.04 1.41 1.31 2bv9A1 ASP 56 H 0.00 0.55 -0.19 -0.55 8.40 8.21 2bv9A1 ASP 56 HA 0.24 0.05 0.32 -0.75 4.63 4.48 2bv9A1 ASP 56 HB2 -0.03 0.07 0.15 -0.04 2.71 2.86 2bv9A1 ASP 56 HB3 0.03 -0.04 0.01 -0.04 2.70 2.65 2bv9A1 ALA 57 H -0.02 0.39 -0.20 -0.55 8.40 8.02 2bv9A1 ALA 57 HA -0.02 -0.02 0.44 -0.75 4.34 3.99 2bv9A1 ALA 57 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 2bv9A1 VAL 58 H -0.02 0.55 -0.16 -0.55 8.24 8.05 2bv9A1 VAL 58 HA -0.14 -0.01 0.39 -0.75 4.13 3.62 2bv9A1 VAL 58 HB -0.24 0.08 0.13 -0.04 2.12 2.06 2bv9A1 VAL 58 HG13 -0.47 0.02 -0.41 -0.04 0.97 0.06 2bv9A1 VAL 58 HG23 -0.08 0.02 -0.02 -0.04 0.95 0.83 2bv9A1 TYR 59 H 0.06 0.66 -0.03 -0.55 8.29 8.43 2bv9A1 TYR 59 HA 0.02 0.25 0.54 -0.75 4.56 4.61 2bv9A1 TYR 59 HB2 0.08 0.00 0.10 -0.04 3.06 3.21 2bv9A1 TYR 59 HB3 0.04 -0.02 0.06 -0.04 2.98 3.01 2bv9A1 TYR 59 HD2 0.12 0.11 0.04 -0.04 7.15 7.38 2bv9A1 TYR 59 HE2 0.05 -0.02 0.08 -0.04 6.85 6.92 2bv9A1 ASN 60 H 0.09 0.63 -0.10 -0.55 8.53 8.61 2bv9A1 ASN 60 HA 0.05 0.00 0.41 -0.75 4.76 4.47 2bv9A1 ASN 60 HB2 0.02 0.09 0.20 -0.04 2.88 3.14 2bv9A1 ASN 60 HB3 0.02 -0.09 0.05 -0.04 2.79 2.73 2bv9A1 ASN 60 HD21 -0.01 -0.09 -0.03 -0.04 7.03 6.86 2bv9A1 ASN 60 HD22 -0.01 -0.08 -0.06 -0.04 7.74 7.55 2bv9A1 ASN 61 H -0.02 0.38 -0.41 -0.55 8.53 7.93 2bv9A1 ASN 61 HA -0.04 -0.04 0.39 -0.75 4.76 4.32 2bv9A1 ASN 61 HB2 -0.06 0.01 0.12 -0.04 2.88 2.91 2bv9A1 ASN 61 HB3 -0.12 0.18 0.06 -0.04 2.79 2.88 2bv9A1 ASN 61 HD21 -0.07 -0.15 -0.02 -0.04 7.03 6.76 2bv9A1 ASN 61 HD22 -0.12 0.09 -0.15 -0.04 7.74 7.52 2bv9A1 GLY 62 H -0.06 0.43 -0.50 -0.55 8.43 7.75 2bv9A1 GLY 62 HA2 -0.50 0.02 0.26 -0.51 4.01 3.28 2bv9A1 GLY 62 HA3 -1.17 0.03 0.63 -0.51 4.01 2.99 2bv9A1 SER 63 H -0.23 0.36 0.08 -0.55 8.46 8.12 2bv9A1 SER 63 HA -0.23 0.29 0.85 -0.75 4.49 4.64 2bv9A1 SER 63 HB2 -0.27 -0.06 -0.15 -0.04 3.95 3.44 2bv9A1 SER 63 HB3 -0.23 -0.11 -0.32 -0.04 3.93 3.23 2bv9A1 ILE 64 H -0.33 0.65 0.33 -0.55 8.25 8.35 2bv9A1 ILE 64 HA -0.31 0.18 0.82 -0.75 4.18 4.12 2bv9A1 ILE 64 HB -0.70 -0.02 0.12 -0.04 1.89 1.24 2bv9A1 ILE 64 HG12 -0.11 0.05 0.01 -0.04 1.49 1.39 2bv9A1 ILE 64 HG13 -0.19 0.04 -0.11 -0.04 1.21 0.90 2bv9A1 ILE 64 HG23 -0.98 0.01 -0.26 -0.04 0.93 -0.33 2bv9A1 ILE 64 HD13 -0.34 -0.01 -0.05 -0.04 0.88 0.44 2bv9A1 LEU 65 H -0.18 0.27 0.15 -0.55 8.37 8.06 2bv9A1 LEU 65 HA -0.16 0.24 0.89 -0.75 4.35 4.56 2bv9A1 LEU 65 HB2 -0.12 0.01 0.05 -0.04 1.64 1.54 2bv9A1 LEU 65 HB3 0.18 0.01 0.14 -0.04 1.64 1.92 2bv9A1 LEU 65 HG 0.05 -0.02 -0.38 -0.04 1.64 1.24 2bv9A1 LEU 65 HD13 0.01 0.05 -0.10 -0.04 0.93 0.84 2bv9A1 LEU 65 HD23 0.10 -0.03 -0.10 -0.04 0.89 0.82 2bv9A1 MET 66 H -0.05 0.68 0.30 -0.55 8.47 8.85 2bv9A1 MET 66 HA 0.10 0.30 0.95 -0.75 4.52 5.12 2bv9A1 MET 66 HB2 0.01 0.02 -0.07 -0.04 2.15 2.06 2bv9A1 MET 66 HB3 -0.07 -0.10 0.02 -0.04 2.03 1.85 2bv9A1 MET 66 HG2 -0.06 -0.09 -0.37 -0.04 2.63 2.07 2bv9A1 MET 66 HG3 0.17 0.12 -0.14 -0.04 2.56 2.66 2bv9A1 MET 66 HE3 -0.61 -0.02 -0.13 -0.04 2.10 1.30 2bv9A1 ILE 67 H 0.08 0.75 0.26 -0.55 8.25 8.79 2bv9A1 ILE 67 HA 0.08 0.27 1.00 -0.75 4.18 4.77 2bv9A1 ILE 67 HB -0.01 0.00 0.06 -0.04 1.89 1.90 2bv9A1 ILE 67 HG12 0.06 -0.02 -0.17 -0.04 1.49 1.32 2bv9A1 ILE 67 HG13 0.05 0.02 -0.34 -0.04 1.21 0.90 2bv9A1 ILE 67 HG23 0.03 -0.04 -0.35 -0.04 0.93 0.53 2bv9A1 ILE 67 HD13 0.02 -0.00 -0.14 -0.04 0.88 0.72 2bv9A1 THR 68 H -0.04 0.62 0.35 -0.55 8.28 8.67 2bv9A1 THR 68 HA 0.12 0.24 0.90 -0.75 4.39 4.89 2bv9A1 THR 68 HB -0.29 -0.05 0.19 -0.04 4.32 4.12 2bv9A1 THR 68 HG23 -0.24 -0.01 -0.12 -0.04 1.22 0.81 2bv9A1 TRP 69 H 0.34 0.66 0.08 -0.55 7.97 8.50 2bv9A1 TRP 69 HA 0.20 0.10 0.54 -0.75 4.62 4.70 2bv9A1 TRP 69 HB2 0.10 0.05 -0.26 -0.04 3.23 3.08 2bv9A1 TRP 69 HB3 0.21 -0.03 -0.00 -0.04 3.23 3.37 2bv9A1 TRP 69 HD1 0.16 0.00 -0.33 -0.04 7.22 7.02 2bv9A1 TRP 69 HE1 -0.15 0.05 -0.10 -0.04 10.20 9.96 2bv9A1 TRP 69 HE3 0.07 0.01 -0.11 -0.04 7.59 7.52 2bv9A1 TRP 69 HZ2 -0.90 0.01 -0.11 -0.04 7.44 6.39 2bv9A1 TRP 69 HZ3 -0.05 0.06 -0.08 -0.04 7.13 7.02 2bv9A1 TRP 69 HH2 -0.17 0.03 -0.04 -0.04 7.19 6.97 2bv9A1 GLU 70 H 0.42 0.74 0.27 -0.55 8.60 9.49 2bv9A1 GLU 70 HA -0.57 0.08 0.41 -0.75 4.29 3.46 2bv9A1 GLU 70 HB2 0.45 0.03 0.27 -0.04 2.09 2.80 2bv9A1 GLU 70 HB3 0.35 -0.05 0.00 -0.04 1.99 2.25 2bv9A1 GLU 70 HG2 0.36 -0.03 -0.12 -0.04 2.34 2.51 2bv9A1 GLU 70 HG3 0.35 0.13 -0.10 -0.04 2.34 2.67 2bv9A1 PRO 71 HA -0.67 -0.05 0.60 -0.51 4.44 3.82 2bv9A1 PRO 71 HB2 -1.12 0.29 0.27 -0.04 2.28 1.69 2bv9A1 PRO 71 HB3 -3.25 0.06 0.08 -0.04 2.02 -1.13 2bv9A1 PRO 71 HG2 -1.21 0.01 0.11 -0.04 2.03 0.89 2bv9A1 PRO 71 HG3 -1.37 0.09 0.11 -0.04 2.03 0.81 2bv9A1 PRO 71 HD2 -3.11 0.03 0.20 -0.04 3.68 0.77 2bv9A1 PRO 71 HD3 -1.12 0.33 0.42 -0.04 3.65 3.24 2bv9A1 TRP 72 H 0.27 0.41 -0.03 -0.55 7.97 8.08 2bv9A1 TRP 72 HA 0.18 0.08 0.46 -0.75 4.62 4.59 2bv9A1 TRP 72 HB2 0.05 -0.05 0.11 -0.04 3.23 3.30 2bv9A1 TRP 72 HB3 0.04 0.06 0.04 -0.04 3.23 3.34 2bv9A1 TRP 72 HD1 0.16 0.09 0.04 -0.04 7.22 7.47 2bv9A1 TRP 72 HE1 0.28 0.01 -0.05 -0.04 10.20 10.40 2bv9A1 TRP 72 HE3 0.05 0.02 0.04 -0.04 7.59 7.66 2bv9A1 TRP 72 HZ2 0.40 -0.00 -0.03 -0.04 7.44 7.76 2bv9A1 TRP 72 HZ3 0.04 0.03 0.03 -0.04 7.13 7.18 2bv9A1 TRP 72 HH2 0.12 0.08 0.04 -0.04 7.19 7.39 2bv9A1 GLU 73 H -0.00 -0.06 -0.33 -0.55 8.60 7.67 2bv9A1 GLU 73 HA -0.14 0.14 0.30 -0.75 4.29 3.83 2bv9A1 GLU 73 HB2 -0.24 -0.02 -0.06 -0.04 2.09 1.72 2bv9A1 GLU 73 HB3 -0.69 0.08 -0.02 -0.04 1.99 1.32 2bv9A1 GLU 73 HG2 -0.10 0.10 -0.16 -0.04 2.34 2.15 2bv9A1 GLU 73 HG3 -0.05 0.06 -0.10 -0.04 2.34 2.21 2bv9A1 TYR 74 H -0.19 0.30 -0.37 -0.55 8.29 7.48 2bv9A1 TYR 74 HA -0.11 0.11 0.77 -0.75 4.56 4.57 2bv9A1 TYR 74 HB2 -0.51 -0.02 0.00 -0.04 3.06 2.48 2bv9A1 TYR 74 HB3 -0.18 -0.04 -0.12 -0.04 2.98 2.60 2bv9A1 TYR 74 HD2 -0.01 -0.07 -0.12 -0.04 7.15 6.91 2bv9A1 TYR 74 HE2 0.05 0.13 -0.07 -0.04 6.85 6.91 2bv9A1 ASN 75 H -0.02 0.09 0.08 -0.55 8.53 8.13 2bv9A1 ASN 75 HA -0.07 0.22 0.50 -0.75 4.76 4.65 2bv9A1 ASN 75 HB2 -0.04 0.01 0.18 -0.04 2.88 2.99 2bv9A1 ASN 75 HB3 -0.05 0.14 0.04 -0.04 2.79 2.88 2bv9A1 ASN 75 HD21 0.00 0.04 0.02 -0.04 7.03 7.05 2bv9A1 ASN 75 HD22 -0.01 0.10 0.03 -0.04 7.74 7.82 2bv9A1 THR 76 H -0.02 0.24 0.13 -0.55 8.28 8.08 2bv9A1 THR 76 HA -0.14 0.12 0.34 -0.75 4.39 3.95 2bv9A1 THR 76 HB -0.04 0.15 -0.27 -0.04 4.32 4.12 2bv9A1 THR 76 HG23 0.05 0.02 0.08 -0.04 1.22 1.33 2bv9A1 VAL 77 H -0.03 0.07 -0.23 -0.55 8.24 7.50 2bv9A1 VAL 77 HA -0.04 0.14 0.56 -0.75 4.13 4.04 2bv9A1 VAL 77 HB -0.01 -0.07 0.08 -0.04 2.12 2.07 2bv9A1 VAL 77 HG13 -0.01 0.03 -0.09 -0.04 0.97 0.85 2bv9A1 VAL 77 HG23 -0.01 0.02 0.05 -0.04 0.95 0.96 2bv9A1 ASP 78 H -0.02 0.03 -0.19 -0.55 8.40 7.67 2bv9A1 ASP 78 HA 0.01 0.09 0.28 -0.75 4.63 4.26 2bv9A1 ASP 78 HB2 0.05 0.10 0.02 -0.04 2.71 2.83 2bv9A1 ASP 78 HB3 0.17 0.01 -0.05 -0.04 2.70 2.79 2bv9A1 ILE 79 H -0.09 0.50 -0.30 -0.55 8.25 7.81 2bv9A1 ILE 79 HA -0.08 -0.10 0.41 -0.75 4.18 3.66 2bv9A1 ILE 79 HB -0.18 0.05 0.10 -0.04 1.89 1.81 2bv9A1 ILE 79 HG12 -0.45 -0.08 -0.06 -0.04 1.49 0.85 2bv9A1 ILE 79 HG13 -0.29 0.03 -0.15 -0.04 1.21 0.75 2bv9A1 ILE 79 HG23 -0.02 0.01 -0.11 -0.04 0.93 0.77 2bv9A1 ILE 79 HD13 -0.83 -0.00 -0.10 -0.04 0.88 -0.09 2bv9A1 LYS 80 H -0.08 0.58 -0.07 -0.55 8.42 8.30 2bv9A1 LYS 80 HA -0.13 0.09 0.25 -0.75 4.32 3.77 2bv9A1 LYS 80 HB2 -0.11 -0.04 -0.04 -0.04 1.87 1.64 2bv9A1 LYS 80 HB3 -0.08 0.10 0.15 -0.04 1.79 1.92 2bv9A1 LYS 80 HG2 -0.07 0.09 0.19 -0.04 1.46 1.63 2bv9A1 LYS 80 HG3 -0.09 0.02 -0.34 -0.04 1.46 1.02 2bv9A1 LYS 80 HD2 -0.05 -0.00 -0.01 -0.04 1.69 1.59 2bv9A1 LYS 80 HD3 -0.04 -0.08 0.04 -0.04 1.68 1.56 2bv9A1 LYS 80 HE2 -0.03 -0.06 -0.01 -0.04 2.99 2.85 2bv9A1 LYS 80 HE3 -0.04 -0.04 0.04 -0.04 2.99 2.92 2bv9A1 ASN 81 H -0.07 0.42 -0.36 -0.55 8.53 7.97 2bv9A1 ASN 81 HA -0.11 0.12 0.61 -0.75 4.76 4.63 2bv9A1 ASN 81 HB2 -0.03 0.05 0.09 -0.04 2.88 2.95 2bv9A1 ASN 81 HB3 -0.03 -0.05 0.11 -0.04 2.79 2.78 2bv9A1 ASN 81 HD21 -0.02 -0.04 -0.02 -0.04 7.03 6.91 2bv9A1 ASN 81 HD22 -0.02 -0.05 -0.06 -0.04 7.74 7.57 2bv9A1 GLY 82 H -0.06 0.43 -0.39 -0.55 8.43 7.87 2bv9A1 GLY 82 HA2 0.12 0.03 0.29 -0.51 4.01 3.93 2bv9A1 GLY 82 HA3 0.02 0.16 0.61 -0.51 4.01 4.30 2bv9A1 LYS 83 H -0.00 0.54 0.04 -0.55 8.42 8.45 2bv9A1 LYS 83 HA 0.05 0.11 0.25 -0.75 4.32 3.97 2bv9A1 LYS 83 HB2 0.08 -0.03 0.01 -0.04 1.87 1.88 2bv9A1 LYS 83 HB3 0.13 -0.01 0.05 -0.04 1.79 1.92 2bv9A1 LYS 83 HG2 0.02 0.08 0.01 -0.04 1.46 1.53 2bv9A1 LYS 83 HG3 0.06 -0.07 0.03 -0.04 1.46 1.44 2bv9A1 LYS 83 HD2 0.04 0.03 -0.09 -0.04 1.69 1.63 2bv9A1 LYS 83 HD3 0.03 0.03 -0.04 -0.04 1.68 1.65 2bv9A1 LYS 83 HE2 0.08 -0.02 0.04 -0.04 2.99 3.04 2bv9A1 LYS 83 HE3 0.04 0.02 -0.00 -0.04 2.99 3.01 2bv9A1 ALA 84 H -0.09 0.16 -0.27 -0.55 8.40 7.66 2bv9A1 ALA 84 HA -0.22 0.19 0.81 -0.75 4.34 4.37 2bv9A1 ALA 84 HB3 -0.57 0.01 0.00 -0.04 1.41 0.81 2bv9A1 ASP 85 H 0.05 0.59 -0.30 -0.55 8.40 8.18 2bv9A1 ASP 85 HA 0.05 0.03 0.11 -0.75 4.63 4.06 2bv9A1 ASP 85 HB2 0.07 0.14 0.13 -0.04 2.71 3.01 2bv9A1 ASP 85 HB3 0.04 0.01 0.01 -0.04 2.70 2.72 2bv9A1 ALA 86 H 0.07 0.18 -0.22 -0.55 8.40 7.89 2bv9A1 ALA 86 HA 0.03 0.11 0.46 -0.75 4.34 4.18 2bv9A1 ALA 86 HB3 0.08 0.02 0.06 -0.04 1.41 1.53 2bv9A1 TYR 87 H 0.19 0.16 -0.23 -0.55 8.29 7.86 2bv9A1 TYR 87 HA 0.06 0.02 0.36 -0.75 4.56 4.24 2bv9A1 TYR 87 HB2 0.14 -0.01 0.07 -0.04 3.06 3.22 2bv9A1 TYR 87 HB3 0.05 0.12 0.14 -0.04 2.98 3.25 2bv9A1 TYR 87 HD2 -0.00 -0.02 -0.10 -0.04 7.15 6.98 2bv9A1 TYR 87 HE2 -0.30 -0.05 -0.33 -0.04 6.85 6.14 2bv9A1 ILE 88 H 0.06 0.52 -0.09 -0.55 8.25 8.19 2bv9A1 ILE 88 HA -0.08 0.01 0.40 -0.75 4.18 3.76 2bv9A1 ILE 88 HB 0.01 0.08 0.06 -0.04 1.89 1.99 2bv9A1 ILE 88 HG12 -0.25 -0.03 -0.04 -0.04 1.49 1.13 2bv9A1 ILE 88 HG13 0.07 0.10 -0.03 -0.04 1.21 1.31 2bv9A1 ILE 88 HG23 0.21 0.00 -0.10 -0.04 0.93 1.00 2bv9A1 ILE 88 HD13 0.18 -0.02 -0.15 -0.04 0.88 0.85 2bv9A1 THR 89 H -0.06 0.62 -0.17 -0.55 8.28 8.12 2bv9A1 THR 89 HA -0.18 0.06 0.34 -0.75 4.39 3.86 2bv9A1 THR 89 HB -0.05 0.07 0.19 -0.04 4.32 4.48 2bv9A1 THR 89 HG23 -0.07 -0.01 -0.07 -0.04 1.22 1.03 2bv9A1 ARG 90 H -0.11 0.53 -0.12 -0.55 8.46 8.21 2bv9A1 ARG 90 HA -0.11 0.03 0.46 -0.75 4.34 3.97 2bv9A1 ARG 90 HB2 -0.03 0.04 0.13 -0.04 1.90 2.00 2bv9A1 ARG 90 HB3 -0.09 0.09 0.17 -0.04 1.80 1.93 2bv9A1 ARG 90 HG2 -0.05 -0.08 -0.17 -0.04 1.67 1.33 2bv9A1 ARG 90 HG3 -0.04 0.00 0.05 -0.04 1.67 1.64 2bv9A1 ARG 90 HD2 0.04 0.00 -0.01 -0.04 3.22 3.21 2bv9A1 ARG 90 HD3 0.03 0.04 0.00 -0.04 3.22 3.25 2bv9A1 MET 91 H -0.31 0.56 -0.17 -0.55 8.47 8.00 2bv9A1 MET 91 HA -0.25 -0.11 0.46 -0.75 4.52 3.86 2bv9A1 MET 91 HB2 -0.47 0.03 0.12 -0.04 2.15 1.79 2bv9A1 MET 91 HB3 -0.25 0.16 0.12 -0.04 2.03 2.02 2bv9A1 MET 91 HG2 -0.95 -0.01 -0.06 -0.04 2.63 1.56 2bv9A1 MET 91 HG3 -0.30 0.03 -0.19 -0.04 2.56 2.06 2bv9A1 MET 91 HE3 -0.21 -0.01 -0.04 -0.04 2.10 1.79 2bv9A1 ALA 92 H -0.58 0.60 -0.15 -0.55 8.40 7.72 2bv9A1 ALA 92 HA -1.09 -0.01 0.44 -0.75 4.34 2.93 2bv9A1 ALA 92 HB3 -0.92 0.04 0.06 -0.04 1.41 0.56 2bv9A1 GLN 93 H -0.29 0.58 -0.05 -0.55 8.47 8.17 2bv9A1 GLN 93 HA -0.17 0.13 0.54 -0.75 4.36 4.12 2bv9A1 GLN 93 HB2 -0.14 0.02 0.21 -0.04 2.15 2.19 2bv9A1 GLN 93 HB3 -0.10 -0.06 0.04 -0.04 2.02 1.86 2bv9A1 GLN 93 HG2 -0.10 0.02 0.08 -0.04 2.40 2.36 2bv9A1 GLN 93 HG3 -0.15 0.09 0.10 -0.04 2.39 2.39 2bv9A1 GLN 93 HE21 -0.05 -0.06 -0.03 -0.04 6.97 6.80 2bv9A1 GLN 93 HE22 -0.06 0.05 0.00 -0.04 7.69 7.64 2bv9A1 ASP 94 H -0.23 0.63 -0.10 -0.55 8.40 8.15 2bv9A1 ASP 94 HA -0.15 0.04 0.47 -0.75 4.63 4.23 2bv9A1 ASP 94 HB2 -0.26 0.09 0.18 -0.04 2.71 2.68 2bv9A1 ASP 94 HB3 -0.20 -0.09 -0.02 -0.04 2.70 2.36 2bv9A1 MET 95 H -0.45 0.65 -0.07 -0.55 8.47 8.05 2bv9A1 MET 95 HA -0.71 -0.01 0.49 -0.75 4.52 3.54 2bv9A1 MET 95 HB2 -0.23 0.10 0.14 -0.04 2.15 2.12 2bv9A1 MET 95 HB3 -0.17 0.01 -0.03 -0.04 2.03 1.80 2bv9A1 MET 95 HG2 -0.63 -0.05 -0.03 -0.04 2.63 1.87 2bv9A1 MET 95 HG3 -0.56 0.03 0.03 -0.04 2.56 2.02 2bv9A1 MET 95 HE3 -0.16 -0.03 -0.10 -0.04 2.10 1.76 2bv9A1 LYS 96 H -0.21 0.62 -0.14 -0.55 8.42 8.14 2bv9A1 LYS 96 HA -0.07 -0.04 0.37 -0.75 4.32 3.83 2bv9A1 LYS 96 HB2 -0.10 0.02 0.02 -0.04 1.87 1.76 2bv9A1 LYS 96 HB3 -0.11 0.06 0.16 -0.04 1.79 1.86 2bv9A1 LYS 96 HG2 -0.05 -0.06 -0.01 -0.04 1.46 1.31 2bv9A1 LYS 96 HG3 -0.04 0.05 -0.10 -0.04 1.46 1.32 2bv9A1 LYS 96 HD2 -0.06 0.01 -0.02 -0.04 1.69 1.57 2bv9A1 LYS 96 HD3 -0.06 -0.01 -0.42 -0.04 1.68 1.15 2bv9A1 LYS 96 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 2bv9A1 LYS 96 HE3 -0.03 0.01 0.00 -0.04 2.99 2.93 2bv9A1 ALA 97 H -0.12 0.46 -0.18 -0.55 8.40 8.01 2bv9A1 ALA 97 HA -0.05 0.03 0.38 -0.75 4.34 3.94 2bv9A1 ALA 97 HB3 -0.04 -0.02 0.10 -0.04 1.41 1.41 2bv9A1 TYR 98 H -0.04 0.42 -0.25 -0.55 8.29 7.87 2bv9A1 TYR 98 HA -0.05 -0.03 0.49 -0.75 4.56 4.22 2bv9A1 TYR 98 HB2 -0.19 0.03 0.11 -0.04 3.06 2.97 2bv9A1 TYR 98 HB3 -0.22 0.13 0.09 -0.04 2.98 2.94 2bv9A1 TYR 98 HD2 -0.01 0.04 -0.06 -0.04 7.15 7.08 2bv9A1 TYR 98 HE2 -0.18 -0.00 -0.06 -0.04 6.85 6.57 2bv9A1 GLY 99 H -0.05 0.52 -0.16 -0.55 8.43 8.19 2bv9A1 GLY 99 HA2 -0.08 0.07 0.31 -0.51 4.01 3.79 2bv9A1 GLY 99 HA3 -0.15 0.04 0.06 -0.51 4.01 3.45 2bv9A1 LYS 100 H -0.32 0.08 -0.44 -0.55 8.42 7.19 2bv9A1 LYS 100 HA -0.20 0.08 0.47 -0.75 4.32 3.93 2bv9A1 LYS 100 HB2 -0.70 -0.07 -0.07 -0.04 1.87 0.99 2bv9A1 LYS 100 HB3 -0.73 0.03 0.08 -0.04 1.79 1.12 2bv9A1 LYS 100 HG2 -0.74 0.17 0.03 -0.04 1.46 0.88 2bv9A1 LYS 100 HG3 -0.80 -0.07 -0.01 -0.04 1.46 0.55 2bv9A1 LYS 100 HD2 -0.22 0.01 0.04 -0.04 1.69 1.48 2bv9A1 LYS 100 HD3 -0.24 0.02 -0.03 -0.04 1.68 1.39 2bv9A1 LYS 100 HE2 -0.22 -0.05 -0.01 -0.04 2.99 2.66 2bv9A1 LYS 100 HE3 -0.10 0.00 -0.00 -0.04 2.99 2.85 2bv9A1 GLU 101 H -0.03 0.09 0.17 -0.55 8.60 8.28 2bv9A1 GLU 101 HA 0.06 0.32 0.58 -0.75 4.29 4.50 2bv9A1 GLU 101 HB2 0.10 -0.00 0.14 -0.04 2.09 2.29 2bv9A1 GLU 101 HB3 0.12 -0.06 0.15 -0.04 1.99 2.16 2bv9A1 GLU 101 HG2 0.30 -0.08 -0.31 -0.04 2.34 2.20 2bv9A1 GLU 101 HG3 0.26 0.14 -0.00 -0.04 2.34 2.69 2bv9A1 ILE 102 H 0.09 0.61 0.36 -0.55 8.25 8.76 2bv9A1 ILE 102 HA 0.15 0.18 0.93 -0.75 4.18 4.68 2bv9A1 ILE 102 HB -0.01 -0.03 0.04 -0.04 1.89 1.86 2bv9A1 ILE 102 HG12 0.22 -0.06 -0.11 -0.04 1.49 1.50 2bv9A1 ILE 102 HG13 0.09 0.17 -0.54 -0.04 1.21 0.89 2bv9A1 ILE 102 HG23 0.02 -0.03 -0.24 -0.04 0.93 0.63 2bv9A1 ILE 102 HD13 0.07 -0.03 -0.10 -0.04 0.88 0.77 2bv9A1 TRP 103 H 0.16 0.63 0.30 -0.55 7.97 8.52 2bv9A1 TRP 103 HA -0.09 0.20 0.94 -0.75 4.62 4.92 2bv9A1 TRP 103 HB2 -0.06 -0.07 0.13 -0.04 3.23 3.19 2bv9A1 TRP 103 HB3 -0.07 -0.01 -0.07 -0.04 3.23 3.04 2bv9A1 TRP 103 HD1 0.01 0.03 -0.58 -0.04 7.22 6.65 2bv9A1 TRP 103 HE1 0.08 0.04 -0.15 -0.04 10.20 10.13 2bv9A1 TRP 103 HE3 -0.20 -0.08 -0.18 -0.04 7.59 7.10 2bv9A1 TRP 103 HZ2 -0.05 0.05 -0.10 -0.04 7.44 7.29 2bv9A1 TRP 103 HZ3 -0.22 -0.07 -0.20 -0.04 7.13 6.61 2bv9A1 TRP 103 HH2 -0.19 0.04 -0.15 -0.04 7.19 6.85 2bv9A1 LEU 104 H -0.14 0.83 0.33 -0.55 8.37 8.84 2bv9A1 LEU 104 HA 0.01 0.15 0.93 -0.75 4.35 4.68 2bv9A1 LEU 104 HB2 -0.37 -0.00 -0.15 -0.04 1.64 1.07 2bv9A1 LEU 104 HB3 -0.76 0.05 0.04 -0.04 1.64 0.94 2bv9A1 LEU 104 HG 0.15 -0.03 -0.19 -0.04 1.64 1.53 2bv9A1 LEU 104 HD13 -0.22 0.01 -0.09 -0.04 0.93 0.59 2bv9A1 LEU 104 HD23 -0.70 -0.00 -0.12 -0.04 0.89 0.03 2bv9A1 ARG 105 H 0.17 0.59 0.26 -0.55 8.46 8.92 2bv9A1 ARG 105 HA 0.30 0.39 0.92 -0.75 4.34 5.18 2bv9A1 ARG 105 HB2 0.15 0.02 -0.20 -0.04 1.90 1.83 2bv9A1 ARG 105 HB3 0.14 -0.16 0.17 -0.04 1.80 1.91 2bv9A1 ARG 105 HG2 0.24 -0.17 -0.15 -0.04 1.67 1.56 2bv9A1 ARG 105 HG3 0.25 0.32 -0.13 -0.04 1.67 2.06 2bv9A1 ARG 105 HD2 0.18 -0.05 -0.24 -0.04 3.22 3.07 2bv9A1 ARG 105 HD3 0.10 0.06 -0.22 -0.04 3.22 3.13 2bv9A1 PRO 106 HA 0.27 0.19 0.78 -0.51 4.44 5.18 2bv9A1 PRO 106 HB2 -0.00 -0.00 -0.04 -0.04 2.28 2.20 2bv9A1 PRO 106 HB3 0.45 -0.01 0.04 -0.04 2.02 2.46 2bv9A1 PRO 106 HG2 -0.28 0.04 0.02 -0.04 2.03 1.77 2bv9A1 PRO 106 HG3 -0.02 0.06 -0.00 -0.04 2.03 2.03 2bv9A1 PRO 106 HD2 0.39 0.27 0.23 -0.04 3.68 4.53 2bv9A1 PRO 106 HD3 0.44 0.12 -0.28 -0.04 3.65 3.89 2bv9A1 LEU 107 H -0.39 0.27 0.23 -0.55 8.37 7.93 2bv9A1 LEU 107 HA -1.17 -0.06 0.33 -0.75 4.35 2.69 2bv9A1 LEU 107 HB2 0.10 0.23 -0.28 -0.04 1.64 1.65 2bv9A1 LEU 107 HB3 0.21 -0.03 0.16 -0.04 1.64 1.94 2bv9A1 LEU 107 HG -0.49 -0.04 -0.07 -0.04 1.64 1.00 2bv9A1 LEU 107 HD13 -0.43 0.02 -0.10 -0.04 0.93 0.38 2bv9A1 LEU 107 HD23 -0.50 -0.01 0.01 -0.04 0.89 0.35 2bv9A1 HIS 108 H 0.41 0.01 -0.20 -0.55 8.41 8.08 2bv9A1 HIS 108 HA 0.29 0.19 0.34 -0.75 4.63 4.70 2bv9A1 HIS 108 HB2 0.28 -0.04 -0.07 -0.04 3.26 3.39 2bv9A1 HIS 108 HB3 0.26 0.16 -0.18 -0.04 3.20 3.39 2bv9A1 HIS 108 HD2 0.23 -0.06 -0.11 -0.04 6.97 6.98 2bv9A1 HIS 108 HE1 0.53 -0.01 -0.15 -0.04 7.75 8.07 2bv9A1 GLU 109 H 0.25 0.18 -0.07 -0.55 8.60 8.42 2bv9A1 GLU 109 HA 0.09 -0.10 0.22 -0.75 4.29 3.75 2bv9A1 GLU 109 HB2 0.16 0.12 -0.29 -0.04 2.09 2.04 2bv9A1 GLU 109 HB3 0.13 -0.07 0.14 -0.04 1.99 2.15 2bv9A1 GLU 109 HG2 0.31 -0.02 -0.09 -0.04 2.34 2.50 2bv9A1 GLU 109 HG3 0.38 0.03 -0.18 -0.04 2.34 2.53 2bv9A1 ALA 110 H 0.04 0.30 -0.16 -0.55 8.40 8.04 2bv9A1 ALA 110 HA -0.24 0.05 0.40 -0.75 4.34 3.81 2bv9A1 ALA 110 HB3 -0.12 0.07 0.08 -0.04 1.41 1.40 2bv9A1 ASN 111 H -0.22 0.01 -0.22 -0.55 8.53 7.55 2bv9A1 ASN 111 HA -0.37 0.16 0.89 -0.75 4.76 4.69 2bv9A1 ASN 111 HB2 -0.18 -0.08 0.13 -0.04 2.88 2.70 2bv9A1 ASN 111 HB3 -0.15 0.20 0.15 -0.04 2.79 2.94 2bv9A1 ASN 111 HD21 0.22 0.46 -0.13 -0.04 7.03 7.54 2bv9A1 ASN 111 HD22 -0.06 -0.10 -0.27 -0.04 7.74 7.27 2bv9A1 GLY 112 H -0.59 0.32 -0.27 -0.55 8.43 7.35 2bv9A1 GLY 112 HA2 -0.69 0.19 0.92 -0.51 4.01 3.92 2bv9A1 GLY 112 HA3 -1.94 -0.08 0.43 -0.51 4.01 1.90 2bv9A1 ASP 113 H -1.14 0.06 0.12 -0.55 8.40 6.90 2bv9A1 ASP 113 HA -0.38 0.12 0.54 -0.75 4.63 4.16 2bv9A1 ASP 113 HB2 -0.19 0.14 -0.01 -0.04 2.71 2.61 2bv9A1 ASP 113 HB3 -0.24 0.17 -0.22 -0.04 2.70 2.36 2bv9A1 TRP 114 H -1.42 0.03 0.01 -0.55 7.97 6.04 2bv9A1 TRP 114 HA -0.14 0.26 0.67 -0.75 4.62 4.65 2bv9A1 TRP 114 HB2 -0.33 0.04 0.02 -0.04 3.23 2.92 2bv9A1 TRP 114 HB3 -0.25 0.02 -0.03 -0.04 3.23 2.94 2bv9A1 TRP 114 HD1 -2.00 0.03 -0.23 -0.04 7.22 4.98 2bv9A1 TRP 114 HE1 -0.55 0.01 -0.06 -0.04 10.20 9.56 2bv9A1 TRP 114 HE3 -0.24 0.06 -0.03 -0.04 7.59 7.33 2bv9A1 TRP 114 HZ2 -0.10 -0.02 0.02 -0.04 7.44 7.30 2bv9A1 TRP 114 HZ3 -0.21 0.07 0.02 -0.04 7.13 6.97 2bv9A1 TRP 114 HH2 -0.10 0.08 0.02 -0.04 7.19 7.15 2bv9A1 TYR 115 H -0.92 0.05 -0.05 -0.55 8.29 6.82 2bv9A1 TYR 115 HA -1.08 0.31 0.95 -0.75 4.56 3.99 2bv9A1 TYR 115 HB2 -1.72 0.03 -0.01 -0.04 3.06 1.31 2bv9A1 TYR 115 HB3 -3.79 -0.03 -0.04 -0.04 2.98 -0.91 2bv9A1 TYR 115 HD2 -0.63 0.14 -0.07 -0.04 7.15 6.55 2bv9A1 TYR 115 HE2 0.18 -0.00 -0.15 -0.04 6.85 6.84 2bv9A1 PRO 116 HA -2.32 0.10 0.29 -0.51 4.44 2.01 2bv9A1 PRO 116 HB2 -0.40 0.04 0.03 -0.04 2.28 1.91 2bv9A1 PRO 116 HB3 -0.67 0.05 0.07 -0.04 2.02 1.43 2bv9A1 PRO 116 HG2 -0.45 0.08 -0.03 -0.04 2.03 1.59 2bv9A1 PRO 116 HG3 -0.37 0.09 0.07 -0.04 2.03 1.77 2bv9A1 PRO 116 HD2 -1.98 0.05 0.14 -0.04 3.68 1.85 2bv9A1 PRO 116 HD3 -1.09 0.23 0.15 -0.04 3.65 2.90 2bv9A1 TRP 117 H -1.10 0.03 -0.54 -0.55 7.97 5.82 2bv9A1 TRP 117 HA -0.24 0.02 0.76 -0.75 4.62 4.41 2bv9A1 TRP 117 HB2 -0.21 0.01 0.10 -0.04 3.23 3.08 2bv9A1 TRP 117 HB3 -0.37 0.12 0.00 -0.04 3.23 2.94 2bv9A1 TRP 117 HD1 0.01 0.06 -0.34 -0.04 7.22 6.91 2bv9A1 TRP 117 HE1 -0.11 0.58 -0.37 -0.04 10.20 10.25 2bv9A1 TRP 117 HE3 -0.66 0.17 -0.30 -0.04 7.59 6.76 2bv9A1 TRP 117 HZ2 -0.94 0.04 -0.12 -0.04 7.44 6.38 2bv9A1 TRP 117 HZ3 -1.79 -0.02 -0.31 -0.04 7.13 4.97 2bv9A1 TRP 117 HH2 -0.88 0.02 -0.10 -0.04 7.19 6.19 2bv9A1 ALA 118 H -0.68 0.43 -0.19 -0.55 8.40 7.41 2bv9A1 ALA 118 HA -0.19 0.07 0.55 -0.75 4.34 4.02 2bv9A1 ALA 118 HB3 -0.57 0.05 0.03 -0.04 1.41 0.88 2bv9A1 ILE 119 H -0.27 0.49 0.33 -0.55 8.25 8.25 2bv9A1 ILE 119 HA -0.10 0.16 0.37 -0.75 4.18 3.86 2bv9A1 ILE 119 HB -0.30 0.07 0.14 -0.04 1.89 1.77 2bv9A1 ILE 119 HG12 -0.12 -0.11 -0.23 -0.04 1.49 0.99 2bv9A1 ILE 119 HG13 -0.06 -0.02 -0.36 -0.04 1.21 0.72 2bv9A1 ILE 119 HG23 -0.13 0.05 -0.18 -0.04 0.93 0.64 2bv9A1 ILE 119 HD13 -0.38 -0.02 -0.04 -0.04 0.88 0.41 2bv9A1 GLY 120 H -0.29 0.28 -0.09 -0.55 8.43 7.79 2bv9A1 GLY 120 HA2 -0.17 0.28 0.35 -0.51 4.01 3.96 2bv9A1 GLY 120 HA3 -0.25 0.06 0.14 -0.51 4.01 3.45 2bv9A1 TYR 121 H -0.11 0.32 -0.61 -0.55 8.29 7.34 2bv9A1 TYR 121 HA -0.23 0.11 0.38 -0.75 4.56 4.07 2bv9A1 TYR 121 HB2 -0.35 0.08 0.00 -0.04 3.06 2.75 2bv9A1 TYR 121 HB3 -0.21 0.06 0.03 -0.04 2.98 2.82 2bv9A1 TYR 121 HD2 -0.19 0.03 -0.22 -0.04 7.15 6.73 2bv9A1 TYR 121 HE2 -0.08 0.05 -0.08 -0.04 6.85 6.70 2bv9A1 SER 122 H -0.71 0.16 0.19 -0.55 8.46 7.55 2bv9A1 SER 122 HA -0.21 0.16 0.26 -0.75 4.49 3.94 2bv9A1 SER 122 HB2 -0.22 0.02 0.12 -0.04 3.95 3.84 2bv9A1 SER 122 HB3 -0.26 0.03 0.16 -0.04 3.93 3.82 2bv9A1 SER 123 H -0.43 0.05 -0.31 -0.55 8.46 7.22 2bv9A1 SER 123 HA -0.08 0.11 0.56 -0.75 4.49 4.32 2bv9A1 SER 123 HB2 0.05 0.03 0.10 -0.04 3.95 4.09 2bv9A1 SER 123 HB3 0.16 0.00 0.09 -0.04 3.93 4.14 2bv9A1 ARG 124 H -0.06 0.48 -0.22 -0.55 8.46 8.11 2bv9A1 ARG 124 HA -0.04 0.18 0.24 -0.75 4.34 3.97 2bv9A1 ARG 124 HB2 -0.04 0.18 0.04 -0.04 1.90 2.03 2bv9A1 ARG 124 HB3 -0.04 -0.06 0.14 -0.04 1.80 1.81 2bv9A1 ARG 124 HG2 -0.08 0.08 -0.28 -0.04 1.67 1.34 2bv9A1 ARG 124 HG3 -0.06 -0.03 -0.09 -0.04 1.67 1.45 2bv9A1 ARG 124 HD2 -0.06 -0.06 -0.00 -0.04 3.22 3.06 2bv9A1 ARG 124 HD3 -0.07 0.12 -0.00 -0.04 3.22 3.22 2bv9A1 VAL 125 H 0.03 -0.01 -0.42 -0.55 8.24 7.29 2bv9A1 VAL 125 HA -0.00 0.15 0.38 -0.75 4.13 3.90 2bv9A1 VAL 125 HB 0.03 0.00 0.02 -0.04 2.12 2.13 2bv9A1 VAL 125 HG13 -0.00 -0.04 -0.06 -0.04 0.97 0.83 2bv9A1 VAL 125 HG23 0.02 0.03 -0.05 -0.04 0.95 0.91 2bv9A1 ASN 126 H 0.00 0.18 -0.19 -0.55 8.53 7.98 2bv9A1 ASN 126 HA 0.02 -0.01 0.68 -0.75 4.76 4.70 2bv9A1 ASN 126 HB2 -0.01 0.22 -0.26 -0.04 2.88 2.79 2bv9A1 ASN 126 HB3 0.07 0.04 -0.17 -0.04 2.79 2.69 2bv9A1 ASN 126 HD21 -0.09 0.42 0.02 -0.04 7.03 7.34 2bv9A1 ASN 126 HD22 -0.04 0.42 -0.23 -0.04 7.74 7.86 2bv9A1 THR 127 H 0.03 0.03 0.20 -0.55 8.28 7.99 2bv9A1 THR 127 HA -0.01 0.33 0.81 -0.75 4.39 4.76 2bv9A1 THR 127 HB -0.00 -0.00 0.16 -0.04 4.32 4.44 2bv9A1 THR 127 HG23 -0.01 0.08 -0.14 -0.04 1.22 1.11 2bv9A1 ASN 128 H 0.01 0.25 0.13 -0.55 8.53 8.38 2bv9A1 ASN 128 HA 0.09 0.06 0.40 -0.75 4.76 4.56 2bv9A1 ASN 128 HB2 0.02 -0.07 0.12 -0.04 2.88 2.91 2bv9A1 ASN 128 HB3 0.05 0.26 -0.01 -0.04 2.79 3.06 2bv9A1 ASN 128 HD21 0.00 -0.01 0.02 -0.04 7.03 7.00 2bv9A1 ASN 128 HD22 0.01 0.02 0.04 -0.04 7.74 7.77 2bv9A1 GLU 129 H 0.03 0.07 -0.18 -0.55 8.60 7.97 2bv9A1 GLU 129 HA 0.02 0.17 0.36 -0.75 4.29 4.08 2bv9A1 GLU 129 HB2 0.00 -0.06 0.08 -0.04 2.09 2.07 2bv9A1 GLU 129 HB3 -0.00 0.07 -0.03 -0.04 1.99 1.98 2bv9A1 GLU 129 HG2 -0.00 0.05 0.02 -0.04 2.34 2.37 2bv9A1 GLU 129 HG3 0.00 0.07 0.01 -0.04 2.34 2.38 2bv9A1 THR 130 H 0.03 0.01 -0.15 -0.55 8.28 7.63 2bv9A1 THR 130 HA -0.01 0.13 0.44 -0.75 4.39 4.19 2bv9A1 THR 130 HB -0.01 -0.01 -0.12 -0.04 4.32 4.14 2bv9A1 THR 130 HG23 -0.01 0.04 0.05 -0.04 1.22 1.26 2bv9A1 TYR 131 H 0.16 0.57 -0.14 -0.55 8.29 8.33 2bv9A1 TYR 131 HA 0.04 -0.03 0.52 -0.75 4.56 4.34 2bv9A1 TYR 131 HB2 0.05 -0.02 0.08 -0.04 3.06 3.13 2bv9A1 TYR 131 HB3 0.10 0.09 0.17 -0.04 2.98 3.30 2bv9A1 TYR 131 HD2 0.13 0.11 -0.08 -0.04 7.15 7.27 2bv9A1 TYR 131 HE2 0.24 0.05 0.04 -0.04 6.85 7.14 2bv9A1 ILE 132 H 0.17 0.64 -0.03 -0.55 8.25 8.48 2bv9A1 ILE 132 HA 0.04 0.05 0.40 -0.75 4.18 3.92 2bv9A1 ILE 132 HB 0.01 0.02 0.15 -0.04 1.89 2.03 2bv9A1 ILE 132 HG12 -0.02 0.02 -0.43 -0.04 1.49 1.02 2bv9A1 ILE 132 HG13 0.18 -0.04 0.03 -0.04 1.21 1.34 2bv9A1 ILE 132 HG23 -0.13 -0.01 -0.08 -0.04 0.93 0.67 2bv9A1 ILE 132 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.75 2bv9A1 ALA 133 H -0.03 0.50 -0.15 -0.55 8.40 8.18 2bv9A1 ALA 133 HA -0.10 0.04 0.47 -0.75 4.34 3.99 2bv9A1 ALA 133 HB3 -0.06 0.01 0.12 -0.04 1.41 1.44 2bv9A1 ALA 134 H -0.09 0.61 -0.11 -0.55 8.40 8.26 2bv9A1 ALA 134 HA -0.06 -0.01 0.44 -0.75 4.34 3.96 2bv9A1 ALA 134 HB3 -0.20 0.04 0.18 -0.04 1.41 1.40 2bv9A1 PHE 135 H -0.12 0.69 -0.02 -0.55 8.34 8.34 2bv9A1 PHE 135 HA -0.22 -0.04 0.39 -0.75 4.62 4.00 2bv9A1 PHE 135 HB2 -0.39 0.05 0.15 -0.04 3.15 2.91 2bv9A1 PHE 135 HB3 -0.20 0.07 0.17 -0.04 3.06 3.06 2bv9A1 PHE 135 HD2 -0.10 -0.00 -0.14 -0.04 7.28 7.00 2bv9A1 PHE 135 HE2 0.13 0.20 0.01 -0.04 7.38 7.68 2bv9A1 PHE 135 HZ 0.34 -0.03 -0.22 -0.04 7.32 7.37 2bv9A1 ARG 136 H -0.12 0.67 -0.04 -0.55 8.46 8.42 2bv9A1 ARG 136 HA -0.33 0.03 0.42 -0.75 4.34 3.70 2bv9A1 ARG 136 HB2 -0.26 0.08 0.16 -0.04 1.90 1.83 2bv9A1 ARG 136 HB3 -0.48 -0.06 0.01 -0.04 1.80 1.22 2bv9A1 ARG 136 HG2 -1.94 -0.02 0.05 -0.04 1.67 -0.28 2bv9A1 ARG 136 HG3 -0.51 0.13 0.15 -0.04 1.67 1.41 2bv9A1 ARG 136 HD2 -0.31 -0.05 -0.05 -0.04 3.22 2.77 2bv9A1 ARG 136 HD3 -0.58 -0.06 0.00 -0.04 3.22 2.54 2bv9A1 HIS 137 H -0.00 0.54 -0.26 -0.55 8.41 8.14 2bv9A1 HIS 137 HA -0.05 0.00 0.47 -0.75 4.63 4.30 2bv9A1 HIS 137 HB2 -0.07 0.15 0.17 -0.04 3.26 3.48 2bv9A1 HIS 137 HB3 -0.07 0.04 0.11 -0.04 3.20 3.24 2bv9A1 HIS 137 HD2 -0.01 0.02 -0.03 -0.04 6.97 6.91 2bv9A1 HIS 137 HE1 -0.00 -0.02 -0.00 -0.04 7.75 7.69 2bv9A1 ILE 138 H -0.10 0.55 -0.12 -0.55 8.25 8.03 2bv9A1 ILE 138 HA -0.02 -0.06 0.43 -0.75 4.18 3.78 2bv9A1 ILE 138 HB -0.45 0.22 0.17 -0.04 1.89 1.79 2bv9A1 ILE 138 HG12 0.18 -0.12 -0.01 -0.04 1.49 1.50 2bv9A1 ILE 138 HG13 -0.01 0.19 0.07 -0.04 1.21 1.41 2bv9A1 ILE 138 HG23 -0.05 -0.03 -0.14 -0.04 0.93 0.68 2bv9A1 ILE 138 HD13 -0.09 -0.03 -0.07 -0.04 0.88 0.65 2bv9A1 VAL 139 H -0.42 0.54 -0.10 -0.55 8.24 7.71 2bv9A1 VAL 139 HA -0.85 -0.00 0.33 -0.75 4.13 2.85 2bv9A1 VAL 139 HB -0.11 0.08 0.19 -0.04 2.12 2.24 2bv9A1 VAL 139 HG13 -0.23 -0.01 -0.04 -0.04 0.97 0.65 2bv9A1 VAL 139 HG23 -1.45 0.07 0.07 -0.04 0.95 -0.40 2bv9A1 ASP 140 H -0.05 0.65 -0.15 -0.55 8.40 8.30 2bv9A1 ASP 140 HA 0.04 0.00 0.31 -0.75 4.63 4.24 2bv9A1 ASP 140 HB2 -0.03 0.13 0.18 -0.04 2.71 2.95 2bv9A1 ASP 140 HB3 0.02 -0.08 -0.03 -0.04 2.70 2.56 2bv9A1 ILE 141 H -0.08 0.55 -0.16 -0.55 8.25 8.01 2bv9A1 ILE 141 HA -0.04 -0.00 0.48 -0.75 4.18 3.86 2bv9A1 ILE 141 HB 0.01 0.11 0.10 -0.04 1.89 2.07 2bv9A1 ILE 141 HG12 -0.16 -0.05 0.02 -0.04 1.49 1.26 2bv9A1 ILE 141 HG13 -0.37 0.15 0.08 -0.04 1.21 1.03 2bv9A1 ILE 141 HG23 -0.10 -0.03 -0.20 -0.04 0.93 0.56 2bv9A1 ILE 141 HD13 -0.28 -0.03 -0.03 -0.04 0.88 0.49 2bv9A1 PHE 142 H 0.39 0.58 -0.12 -0.55 8.34 8.64 2bv9A1 PHE 142 HA 0.06 -0.03 0.49 -0.75 4.62 4.39 2bv9A1 PHE 142 HB2 0.38 0.14 0.15 -0.04 3.15 3.78 2bv9A1 PHE 142 HB3 0.36 0.06 -0.02 -0.04 3.06 3.42 2bv9A1 PHE 142 HD2 0.13 0.16 0.02 -0.04 7.28 7.55 2bv9A1 PHE 142 HE2 0.06 -0.04 -0.07 -0.04 7.38 7.29 2bv9A1 PHE 142 HZ -0.37 -0.08 -0.15 -0.04 7.32 6.68 2bv9A1 ARG 143 H 0.20 0.65 -0.12 -0.55 8.46 8.64 2bv9A1 ARG 143 HA 0.13 -0.02 0.34 -0.75 4.34 4.03 2bv9A1 ARG 143 HB2 0.07 0.09 0.15 -0.04 1.90 2.17 2bv9A1 ARG 143 HB3 0.06 -0.06 0.03 -0.04 1.80 1.79 2bv9A1 ARG 143 HG2 0.15 -0.03 -0.04 -0.04 1.67 1.71 2bv9A1 ARG 143 HG3 0.21 0.09 0.02 -0.04 1.67 1.95 2bv9A1 ARG 143 HD2 0.02 -0.01 -0.10 -0.04 3.22 3.09 2bv9A1 ARG 143 HD3 0.02 -0.05 -0.02 -0.04 3.22 3.13 2bv9A1 ALA 144 H 0.04 0.59 -0.15 -0.55 8.40 8.33 2bv9A1 ALA 144 HA 0.01 0.00 0.32 -0.75 4.34 3.92 2bv9A1 ALA 144 HB3 -0.01 -0.00 0.10 -0.04 1.41 1.46 2bv9A1 ASN 145 H -0.01 0.37 -0.51 -0.55 8.53 7.83 2bv9A1 ASN 145 HA -0.04 0.10 0.78 -0.75 4.76 4.85 2bv9A1 ASN 145 HB2 -0.15 0.09 0.08 -0.04 2.88 2.87 2bv9A1 ASN 145 HB3 -0.13 -0.08 0.08 -0.04 2.79 2.63 2bv9A1 ASN 145 HD21 -0.07 -0.12 -0.03 -0.04 7.03 6.76 2bv9A1 ASN 145 HD22 -0.09 0.55 0.06 -0.04 7.74 8.21 2bv9A1 GLY 146 H 0.01 0.51 -0.28 -0.55 8.43 8.13 2bv9A1 GLY 146 HA2 0.02 0.03 0.31 -0.51 4.01 3.86 2bv9A1 GLY 146 HA3 -0.01 0.04 0.33 -0.51 4.01 3.87 2bv9A1 ALA 147 H 0.05 0.54 -0.18 -0.55 8.40 8.26 2bv9A1 ALA 147 HA 0.01 0.10 0.42 -0.75 4.34 4.12 2bv9A1 ALA 147 HB3 0.10 0.02 0.09 -0.04 1.41 1.58 2bv9A1 THR 148 H 0.04 0.59 0.02 -0.55 8.28 8.38 2bv9A1 THR 148 HA 0.11 0.13 0.37 -0.75 4.39 4.24 2bv9A1 THR 148 HB 0.05 -0.00 0.09 -0.04 4.32 4.42 2bv9A1 THR 148 HG23 0.06 -0.01 -0.06 -0.04 1.22 1.17 2bv9A1 ASN 149 H 0.02 0.06 -0.36 -0.55 8.53 7.70 2bv9A1 ASN 149 HA 0.03 0.08 0.48 -0.75 4.76 4.60 2bv9A1 ASN 149 HB2 -0.01 0.07 -0.37 -0.04 2.88 2.53 2bv9A1 ASN 149 HB3 -0.01 0.06 -0.04 -0.04 2.79 2.75 2bv9A1 ASN 149 HD21 -0.05 0.18 -0.22 -0.04 7.03 6.89 2bv9A1 ASN 149 HD22 -0.03 0.51 -0.31 -0.04 7.74 7.87 2bv9A1 VAL 150 H -0.00 0.37 -0.39 -0.55 8.24 7.67 2bv9A1 VAL 150 HA -0.15 0.17 0.83 -0.75 4.13 4.22 2bv9A1 VAL 150 HB -0.13 0.13 0.10 -0.04 2.12 2.19 2bv9A1 VAL 150 HG13 -1.05 -0.04 -0.18 -0.04 0.97 -0.33 2bv9A1 VAL 150 HG23 0.03 -0.04 -0.10 -0.04 0.95 0.81 2bv9A1 LYS 151 H -0.14 0.72 0.41 -0.55 8.42 8.85 2bv9A1 LYS 151 HA -0.19 0.16 0.76 -0.75 4.32 4.30 2bv9A1 LYS 151 HB2 -0.04 -0.09 0.07 -0.04 1.87 1.76 2bv9A1 LYS 151 HB3 -0.03 -0.02 -0.03 -0.04 1.79 1.66 2bv9A1 LYS 151 HG2 0.19 0.12 -0.13 -0.04 1.46 1.60 2bv9A1 LYS 151 HG3 0.29 -0.03 -0.10 -0.04 1.46 1.57 2bv9A1 LYS 151 HD2 0.03 -0.04 -0.07 -0.04 1.69 1.57 2bv9A1 LYS 151 HD3 0.01 0.12 -0.36 -0.04 1.68 1.40 2bv9A1 LYS 151 HE2 0.11 0.04 -0.12 -0.04 2.99 2.98 2bv9A1 LYS 151 HE3 0.15 -0.06 -0.06 -0.04 2.99 2.97 2bv9A1 TRP 152 H 0.09 0.17 0.17 -0.55 7.97 7.86 2bv9A1 TRP 152 HA 0.10 0.20 0.67 -0.75 4.62 4.84 2bv9A1 TRP 152 HB2 0.15 -0.10 0.18 -0.04 3.23 3.41 2bv9A1 TRP 152 HB3 0.33 0.06 0.07 -0.04 3.23 3.65 2bv9A1 TRP 152 HD1 0.05 0.01 -0.05 -0.04 7.22 7.19 2bv9A1 TRP 152 HE1 0.02 0.05 -0.04 -0.04 10.20 10.19 2bv9A1 TRP 152 HE3 -0.11 0.06 -0.00 -0.04 7.59 7.50 2bv9A1 TRP 152 HZ2 -0.59 -0.00 -0.06 -0.04 7.44 6.74 2bv9A1 TRP 152 HZ3 -0.20 -0.09 -0.11 -0.04 7.13 6.70 2bv9A1 TRP 152 HH2 -1.65 -0.06 -0.13 -0.04 7.19 5.31 2bv9A1 VAL 153 H 0.38 0.64 0.36 -0.55 8.24 9.07 2bv9A1 VAL 153 HA 0.29 0.28 0.87 -0.75 4.13 4.83 2bv9A1 VAL 153 HB 0.22 -0.05 -0.04 -0.04 2.12 2.20 2bv9A1 VAL 153 HG13 0.15 -0.00 -0.32 -0.04 0.97 0.76 2bv9A1 VAL 153 HG23 0.03 0.02 -0.26 -0.04 0.95 0.70 2bv9A1 PHE 154 H 0.45 0.52 0.32 -0.55 8.34 9.08 2bv9A1 PHE 154 HA 0.33 0.10 0.72 -0.75 4.62 5.01 2bv9A1 PHE 154 HB2 0.02 0.03 0.10 -0.04 3.15 3.26 2bv9A1 PHE 154 HB3 0.18 0.03 0.17 -0.04 3.06 3.40 2bv9A1 PHE 154 HD2 -0.05 -0.00 -0.02 -0.04 7.28 7.16 2bv9A1 PHE 154 HE2 -0.27 0.06 -0.11 -0.04 7.38 7.01 2bv9A1 PHE 154 HZ -0.63 0.01 -0.08 -0.04 7.32 6.58 2bv9A1 ASN 155 H -0.67 0.25 0.19 -0.55 8.53 7.76 2bv9A1 ASN 155 HA -0.03 0.30 0.92 -0.75 4.76 5.20 2bv9A1 ASN 155 HB2 0.18 0.16 -0.37 -0.04 2.88 2.81 2bv9A1 ASN 155 HB3 0.18 -0.09 -0.05 -0.04 2.79 2.79 2bv9A1 ASN 155 HD21 0.22 -0.10 -0.33 -0.04 7.03 6.78 2bv9A1 ASN 155 HD22 0.16 0.07 -0.35 -0.04 7.74 7.59 2bv9A1 VAL 156 H 0.04 0.74 0.38 -0.55 8.24 8.84 2bv9A1 VAL 156 HA 0.06 -0.04 0.73 -0.75 4.13 4.12 2bv9A1 VAL 156 HB 0.30 0.10 0.10 -0.04 2.12 2.58 2bv9A1 VAL 156 HG13 0.17 -0.02 -0.00 -0.04 0.97 1.08 2bv9A1 VAL 156 HG23 0.09 0.02 -0.02 -0.04 0.95 1.00 2bv9A1 ASN 157 H 0.12 -0.01 0.09 -0.55 8.53 8.18 2bv9A1 ASN 157 HA 0.21 0.10 0.85 -0.75 4.76 5.16 2bv9A1 ASN 157 HB2 0.27 -0.10 0.11 -0.04 2.88 3.12 2bv9A1 ASN 157 HB3 0.16 0.24 -0.02 -0.04 2.79 3.13 2bv9A1 ASN 157 HD21 0.24 -0.02 0.01 -0.04 7.03 7.22 2bv9A1 ASN 157 HD22 0.31 -0.01 0.08 -0.04 7.74 8.07 2bv9A1 CYS 158 H 0.09 0.38 0.32 -0.55 8.50 8.75 2bv9A1 CYS 158 HA 0.03 -0.00 0.32 -0.75 4.58 4.18 2bv9A1 CYS 158 HB2 -0.23 0.35 0.14 -0.04 2.97 3.19 2bv9A1 CYS 158 HB3 -0.39 0.03 0.14 -0.04 2.97 2.70 2bv9A1 ASP 159 H 0.15 0.01 -0.24 -0.55 8.40 7.77 2bv9A1 ASP 159 HA 0.14 0.18 0.87 -0.75 4.63 5.06 2bv9A1 ASP 159 HB2 0.10 -0.09 -0.06 -0.04 2.71 2.62 2bv9A1 ASP 159 HB3 0.04 0.11 -0.06 -0.04 2.70 2.75 2bv9A1 ASN 160 H -0.10 0.14 0.06 -0.55 8.53 8.08 2bv9A1 ASN 160 HA -0.15 0.24 0.71 -0.75 4.76 4.81 2bv9A1 ASN 160 HB2 -0.20 -0.02 0.10 -0.04 2.88 2.72 2bv9A1 ASN 160 HB3 -0.21 0.07 -0.16 -0.04 2.79 2.45 2bv9A1 ASN 160 HD21 -1.25 -0.12 -0.03 -0.04 7.03 5.60 2bv9A1 ASN 160 HD22 -0.44 0.05 0.01 -0.04 7.74 7.32 2bv9A1 VAL 161 H -0.19 0.70 0.33 -0.55 8.24 8.54 2bv9A1 VAL 161 HA -0.10 0.13 0.86 -0.75 4.13 4.28 2bv9A1 VAL 161 HB -0.07 -0.18 0.17 -0.04 2.12 2.00 2bv9A1 VAL 161 HG13 -0.00 0.00 -0.10 -0.04 0.97 0.83 2bv9A1 VAL 161 HG23 0.10 0.05 -0.29 -0.04 0.95 0.77 2bv9A1 GLY 162 H -0.12 0.13 0.04 -0.55 8.43 7.93 2bv9A1 GLY 162 HA2 -0.13 0.00 0.35 -0.51 4.01 3.72 2bv9A1 GLY 162 HA3 -0.18 0.23 0.72 -0.51 4.01 4.27 2bv9A1 ASN 163 H -0.12 0.19 0.14 -0.55 8.53 8.19 2bv9A1 ASN 163 HA -0.09 0.00 0.40 -0.75 4.76 4.31 2bv9A1 ASN 163 HB2 -0.09 0.08 0.11 -0.04 2.88 2.94 2bv9A1 ASN 163 HB3 -0.08 0.02 0.06 -0.04 2.79 2.75 2bv9A1 ASN 163 HD21 -0.07 0.01 -0.00 -0.04 7.03 6.93 2bv9A1 ASN 163 HD22 -0.07 0.01 0.01 -0.04 7.74 7.65 2bv9A1 GLY 164 H -0.09 0.12 0.18 -0.55 8.43 8.09 2bv9A1 GLY 164 HA2 -0.08 -0.01 0.31 -0.51 4.01 3.72 2bv9A1 GLY 164 HA3 -0.09 0.12 0.32 -0.51 4.01 3.85 2bv9A1 THR 165 H -0.14 0.27 -0.36 -0.55 8.28 7.50 2bv9A1 THR 165 HA -0.19 0.04 0.49 -0.75 4.39 3.97 2bv9A1 THR 165 HB -0.23 -0.01 0.08 -0.04 4.32 4.12 2bv9A1 THR 165 HG23 -0.25 0.08 -0.38 -0.04 1.22 0.63 2bv9A1 SER 166 H -0.15 0.29 0.26 -0.55 8.46 8.32 2bv9A1 SER 166 HA -0.23 0.14 0.55 -0.75 4.49 4.19 2bv9A1 SER 166 HB2 -0.04 -0.02 0.16 -0.04 3.95 4.01 2bv9A1 SER 166 HB3 -0.06 0.23 -0.21 -0.04 3.93 3.84 2bv9A1 TYR 167 H -0.11 0.21 0.16 -0.55 8.29 8.00 2bv9A1 TYR 167 HA 0.15 0.12 0.58 -0.75 4.56 4.65 2bv9A1 TYR 167 HB2 0.04 -0.00 0.09 -0.04 3.06 3.15 2bv9A1 TYR 167 HB3 0.08 0.08 0.02 -0.04 2.98 3.12 2bv9A1 TYR 167 HD2 0.05 0.00 -0.00 -0.04 7.15 7.16 2bv9A1 TYR 167 HE2 0.04 0.12 -0.19 -0.04 6.85 6.77 2bv9A1 LEU 168 H 0.14 -0.02 -0.07 -0.55 8.37 7.88 2bv9A1 LEU 168 HA 0.07 0.31 1.03 -0.75 4.35 5.01 2bv9A1 LEU 168 HB2 0.02 0.00 -0.04 -0.04 1.64 1.59 2bv9A1 LEU 168 HB3 -0.06 0.06 0.07 -0.04 1.64 1.67 2bv9A1 LEU 168 HG 0.09 -0.15 -0.26 -0.04 1.64 1.28 2bv9A1 LEU 168 HD13 -0.07 0.07 -0.07 -0.04 0.93 0.82 2bv9A1 LEU 168 HD23 -0.13 0.08 -0.23 -0.04 0.89 0.58 2bv9A1 GLY 169 H 0.14 0.00 -0.09 -0.55 8.43 7.94 2bv9A1 GLY 169 HA2 0.05 0.14 0.39 -0.51 4.01 4.08 2bv9A1 GLY 169 HA3 0.07 0.04 0.30 -0.51 4.01 3.91 2bv9A1 HIS 170 H 0.45 0.05 -0.39 -0.55 8.41 7.97 2bv9A1 HIS 170 HA 0.03 0.19 0.70 -0.75 4.63 4.81 2bv9A1 HIS 170 HB2 -0.34 0.01 0.11 -0.04 3.26 3.01 2bv9A1 HIS 170 HB3 -0.15 -0.07 -0.02 -0.04 3.20 2.92 2bv9A1 HIS 170 HD2 -1.17 0.04 -0.01 -0.04 6.97 5.78 2bv9A1 HIS 170 HE1 0.06 0.14 0.04 -0.04 7.75 7.95 2bv9A1 TYR 171 H -0.02 0.37 -0.49 -0.55 8.29 7.60 2bv9A1 TYR 171 HA -0.90 0.09 0.43 -0.75 4.56 3.43 2bv9A1 TYR 171 HB2 -0.49 -0.03 0.13 -0.04 3.06 2.63 2bv9A1 TYR 171 HB3 -0.27 0.09 0.13 -0.04 2.98 2.88 2bv9A1 TYR 171 HD2 -1.26 0.03 -0.04 -0.04 7.15 5.83 2bv9A1 TYR 171 HE2 -0.30 -0.02 -0.10 -0.04 6.85 6.38 2bv9A1 PRO 172 HA -0.29 0.11 0.50 -0.51 4.44 4.25 2bv9A1 PRO 172 HB2 -0.43 0.03 0.05 -0.04 2.28 1.89 2bv9A1 PRO 172 HB3 -0.33 0.00 0.14 -0.04 2.02 1.79 2bv9A1 PRO 172 HG2 -0.82 0.09 -0.10 -0.04 2.03 1.16 2bv9A1 PRO 172 HG3 -1.64 0.03 0.02 -0.04 2.03 0.40 2bv9A1 PRO 172 HD2 -1.33 0.02 0.16 -0.04 3.68 2.50 2bv9A1 PRO 172 HD3 -0.43 0.24 0.26 -0.04 3.65 3.68 2bv9A1 GLY 173 H -1.64 0.03 -0.36 -0.55 8.43 5.91 2bv9A1 GLY 173 HA2 -0.13 0.02 0.26 -0.51 4.01 3.65 2bv9A1 GLY 173 HA3 -0.08 0.22 0.72 -0.51 4.01 4.36 2bv9A1 ASP 174 H 0.06 0.17 0.12 -0.55 8.40 8.20 2bv9A1 ASP 174 HA 0.08 0.11 0.22 -0.75 4.63 4.30 2bv9A1 ASP 174 HB2 0.02 -0.05 0.11 -0.04 2.71 2.75 2bv9A1 ASP 174 HB3 0.01 0.13 0.02 -0.04 2.70 2.82 2bv9A1 ASN 175 H -0.04 0.01 -0.26 -0.55 8.53 7.70 2bv9A1 ASN 175 HA -0.13 0.17 0.55 -0.75 4.76 4.59 2bv9A1 ASN 175 HB2 -0.26 -0.01 0.00 -0.04 2.88 2.57 2bv9A1 ASN 175 HB3 -0.41 0.04 0.09 -0.04 2.79 2.46 2bv9A1 ASN 175 HD21 -0.05 -0.00 0.01 -0.04 7.03 6.94 2bv9A1 ASN 175 HD22 -0.06 0.01 0.01 -0.04 7.74 7.65 2bv9A1 TYR 176 H -0.00 0.45 -0.50 -0.55 8.29 7.68 2bv9A1 TYR 176 HA -0.05 0.17 0.74 -0.75 4.56 4.66 2bv9A1 TYR 176 HB2 -0.19 0.08 -0.17 -0.04 3.06 2.73 2bv9A1 TYR 176 HB3 -0.03 -0.07 0.03 -0.04 2.98 2.87 2bv9A1 TYR 176 HD2 -0.13 0.00 -0.05 -0.04 7.15 6.93 2bv9A1 TYR 176 HE2 -0.06 -0.02 -0.02 -0.04 6.85 6.71 2bv9A1 VAL 177 H 0.04 0.42 -0.12 -0.55 8.24 8.03 2bv9A1 VAL 177 HA 0.30 0.10 0.86 -0.75 4.13 4.64 2bv9A1 VAL 177 HB 0.04 -0.02 -0.07 -0.04 2.12 2.04 2bv9A1 VAL 177 HG13 0.22 -0.01 -0.24 -0.04 0.97 0.90 2bv9A1 VAL 177 HG23 -0.28 -0.02 -0.29 -0.04 0.95 0.32 2bv9A1 ASP 178 H 0.22 0.53 0.38 -0.55 8.40 8.98 2bv9A1 ASP 178 HA -0.12 0.22 1.01 -0.75 4.63 4.99 2bv9A1 ASP 178 HB2 -0.06 -0.03 0.12 -0.04 2.71 2.70 2bv9A1 ASP 178 HB3 -0.44 0.02 0.04 -0.04 2.70 2.28 2bv9A1 TYR 179 H 0.14 0.50 0.39 -0.55 8.29 8.77 2bv9A1 TYR 179 HA -0.04 0.32 0.83 -0.75 4.56 4.92 2bv9A1 TYR 179 HB2 -0.17 -0.13 -0.06 -0.04 3.06 2.66 2bv9A1 TYR 179 HB3 -0.14 0.11 -0.03 -0.04 2.98 2.88 2bv9A1 TYR 179 HD2 -0.37 -0.02 -0.25 -0.04 7.15 6.47 2bv9A1 TYR 179 HE2 -0.50 -0.01 -0.12 -0.04 6.85 6.18 2bv9A1 THR 180 H 0.15 0.57 0.17 -0.55 8.28 8.62 2bv9A1 THR 180 HA 0.35 0.16 0.95 -0.75 4.39 5.09 2bv9A1 THR 180 HB 0.30 -0.12 0.08 -0.04 4.32 4.54 2bv9A1 THR 180 HG23 0.15 -0.00 -0.12 -0.04 1.22 1.21 2bv9A1 SER 181 H 0.18 0.19 0.18 -0.55 8.46 8.47 2bv9A1 SER 181 HA 0.12 0.25 0.93 -0.75 4.49 5.04 2bv9A1 SER 181 HB2 0.12 -0.09 0.02 -0.04 3.95 3.96 2bv9A1 SER 181 HB3 0.12 0.09 -0.39 -0.04 3.93 3.72 2bv9A1 ILE 182 H 0.13 0.54 0.45 -0.55 8.25 8.82 2bv9A1 ILE 182 HA 0.16 0.34 1.09 -0.75 4.18 5.02 2bv9A1 ILE 182 HB 0.33 -0.04 -0.01 -0.04 1.89 2.13 2bv9A1 ILE 182 HG12 0.11 0.06 -0.26 -0.04 1.49 1.37 2bv9A1 ILE 182 HG13 0.15 -0.07 -0.39 -0.04 1.21 0.86 2bv9A1 ILE 182 HG23 0.19 0.02 -0.14 -0.04 0.93 0.96 2bv9A1 ILE 182 HD13 0.25 0.01 -0.19 -0.04 0.88 0.91 2bv9A1 ASP 183 H 0.20 0.49 0.37 -0.55 8.40 8.91 2bv9A1 ASP 183 HA 0.21 0.24 0.99 -0.75 4.63 5.31 2bv9A1 ASP 183 HB2 0.26 -0.11 0.12 -0.04 2.71 2.95 2bv9A1 ASP 183 HB3 0.25 0.01 -0.00 -0.04 2.70 2.91 2bv9A1 GLY 184 H -0.00 0.67 0.26 -0.55 8.43 8.81 2bv9A1 GLY 184 HA2 -0.08 -0.03 0.57 -0.51 4.01 3.97 2bv9A1 GLY 184 HA3 -0.74 0.08 0.30 -0.51 4.01 3.14 2bv9A1 TYR 185 H -0.02 0.23 0.18 -0.55 8.29 8.13 2bv9A1 TYR 185 HA -0.44 0.24 1.01 -0.75 4.56 4.62 2bv9A1 TYR 185 HB2 -1.04 -0.04 -0.03 -0.04 3.06 1.90 2bv9A1 TYR 185 HB3 -1.42 0.04 -0.23 -0.04 2.98 1.32 2bv9A1 TYR 185 HD2 -1.66 -0.04 -0.25 -0.04 7.15 5.15 2bv9A1 TYR 185 HE2 -0.89 0.02 -0.17 -0.04 6.85 5.76 2bv9A1 ASN 186 H -0.36 0.58 0.33 -0.55 8.53 8.54 2bv9A1 ASN 186 HA -0.07 0.17 0.99 -0.75 4.76 5.09 2bv9A1 ASN 186 HB2 -0.11 0.21 0.18 -0.04 2.88 3.13 2bv9A1 ASN 186 HB3 -1.07 -0.04 0.35 -0.04 2.79 1.99 2bv9A1 ASN 186 HD21 -3.94 -0.03 -0.12 -0.04 7.03 2.90 2bv9A1 ASN 186 HD22 -2.05 0.04 0.00 -0.04 7.74 5.69 2bv9A1 TRP 187 H 0.31 0.32 0.06 -0.55 7.97 8.11 2bv9A1 TRP 187 HA 0.19 0.06 0.46 -0.75 4.62 4.59 2bv9A1 TRP 187 HB2 -0.03 0.13 0.04 -0.04 3.23 3.32 2bv9A1 TRP 187 HB3 -0.07 -0.11 0.03 -0.04 3.23 3.03 2bv9A1 TRP 187 HD1 0.17 0.11 0.08 -0.04 7.22 7.54 2bv9A1 TRP 187 HE1 0.09 -0.00 0.00 -0.04 10.20 10.24 2bv9A1 TRP 187 HE3 0.11 -0.04 -0.05 -0.04 7.59 7.56 2bv9A1 TRP 187 HZ2 -0.27 0.00 -0.06 -0.04 7.44 7.07 2bv9A1 TRP 187 HZ3 0.18 -0.02 -0.06 -0.04 7.13 7.19 2bv9A1 TRP 187 HH2 -0.11 0.01 -0.06 -0.04 7.19 6.99 2bv9A1 GLY 188 H -0.10 -0.01 -0.41 -0.55 8.43 7.36 2bv9A1 GLY 188 HA2 0.39 -0.05 0.09 -0.51 4.01 3.93 2bv9A1 GLY 188 HA3 0.29 0.30 0.39 -0.51 4.01 4.48 2bv9A1 THR 189 H 0.18 0.38 -0.01 -0.55 8.28 8.29 2bv9A1 THR 189 HA -0.01 0.42 0.46 -0.75 4.39 4.50 2bv9A1 THR 189 HB 0.00 0.07 0.14 -0.04 4.32 4.49 2bv9A1 THR 189 HG23 0.11 0.01 -0.01 -0.04 1.22 1.29 2bv9A1 THR 190 H -0.01 0.39 -0.58 -0.55 8.28 7.54 2bv9A1 THR 190 HA -0.06 0.13 0.29 -0.75 4.39 4.00 2bv9A1 THR 190 HB -0.06 -0.05 0.03 -0.04 4.32 4.21 2bv9A1 THR 190 HG23 -0.04 -0.01 0.02 -0.04 1.22 1.15 2bv9A1 GLN 191 H -0.37 0.10 -0.12 -0.55 8.47 7.53 2bv9A1 GLN 191 HA -0.33 0.18 0.76 -0.75 4.36 4.21 2bv9A1 GLN 191 HB2 -1.89 -0.04 0.04 -0.04 2.15 0.22 2bv9A1 GLN 191 HB3 -1.42 -0.03 0.02 -0.04 2.02 0.55 2bv9A1 GLN 191 HG2 -0.22 -0.02 -0.06 -0.04 2.40 2.06 2bv9A1 GLN 191 HG3 -1.00 0.03 -0.03 -0.04 2.39 1.35 2bv9A1 GLN 191 HE21 0.12 0.01 -0.10 -0.04 6.97 6.96 2bv9A1 GLN 191 HE22 0.11 -0.07 -0.32 -0.04 7.69 7.38 2bv9A1 SER 192 H -0.23 0.18 0.17 -0.55 8.46 8.04 2bv9A1 SER 192 HA -0.14 0.16 0.35 -0.75 4.49 4.11 2bv9A1 SER 192 HB2 -0.03 0.06 0.05 -0.04 3.95 3.99 2bv9A1 SER 192 HB3 -0.07 0.06 0.12 -0.04 3.93 4.00 2bv9A1 TRP 193 H -0.17 0.01 -0.20 -0.55 7.97 7.06 2bv9A1 TRP 193 HA -0.07 0.13 0.43 -0.75 4.62 4.36 2bv9A1 TRP 193 HB2 -0.11 0.07 0.09 -0.04 3.23 3.24 2bv9A1 TRP 193 HB3 -0.11 -0.00 0.06 -0.04 3.23 3.13 2bv9A1 TRP 193 HD1 -0.22 0.01 -0.01 -0.04 7.22 6.96 2bv9A1 TRP 193 HE1 -0.63 -0.00 -0.04 -0.04 10.20 9.48 2bv9A1 TRP 193 HE3 -0.11 0.11 -0.47 -0.04 7.59 7.08 2bv9A1 TRP 193 HZ2 -1.33 -0.03 -0.05 -0.04 7.44 5.99 2bv9A1 TRP 193 HZ3 -0.10 0.08 -0.17 -0.04 7.13 6.90 2bv9A1 TRP 193 HH2 -0.30 0.00 -0.03 -0.04 7.19 6.82 2bv9A1 GLY 194 H -0.37 0.24 -0.83 -0.55 8.43 6.93 2bv9A1 GLY 194 HA2 -0.13 0.07 0.20 -0.51 4.01 3.64 2bv9A1 GLY 194 HA3 0.02 0.09 0.38 -0.51 4.01 3.99 2bv9A1 SER 195 H -0.81 0.19 0.03 -0.55 8.46 7.33 2bv9A1 SER 195 HA -0.46 0.09 0.45 -0.75 4.49 3.83 2bv9A1 SER 195 HB2 -0.29 0.02 0.05 -0.04 3.95 3.69 2bv9A1 SER 195 HB3 -1.79 -0.08 0.03 -0.04 3.93 2.05 2bv9A1 GLN 196 H 0.06 0.12 0.17 -0.55 8.47 8.27 2bv9A1 GLN 196 HA 0.10 0.15 0.76 -0.75 4.36 4.61 2bv9A1 GLN 196 HB2 0.14 -0.02 -0.05 -0.04 2.15 2.18 2bv9A1 GLN 196 HB3 0.16 0.01 0.02 -0.04 2.02 2.17 2bv9A1 GLN 196 HG2 0.07 0.00 -0.16 -0.04 2.40 2.27 2bv9A1 GLN 196 HG3 0.07 0.00 -0.28 -0.04 2.39 2.15 2bv9A1 GLN 196 HE21 0.09 -0.02 -0.01 -0.04 6.97 6.98 2bv9A1 GLN 196 HE22 0.09 -0.02 -0.01 -0.04 7.69 7.71 2bv9A1 TRP 197 H 0.35 0.17 0.00 -0.55 7.97 7.95 2bv9A1 TRP 197 HA 0.13 -0.14 0.56 -0.75 4.62 4.42 2bv9A1 TRP 197 HB2 0.08 0.06 0.06 -0.04 3.23 3.39 2bv9A1 TRP 197 HB3 0.11 0.04 0.09 -0.04 3.23 3.43 2bv9A1 TRP 197 HD1 0.21 -0.02 -0.31 -0.04 7.22 7.06 2bv9A1 TRP 197 HE1 0.41 -0.03 -0.17 -0.04 10.20 10.37 2bv9A1 TRP 197 HE3 0.04 0.02 -0.28 -0.04 7.59 7.32 2bv9A1 TRP 197 HZ2 0.29 0.05 -0.35 -0.04 7.44 7.38 2bv9A1 TRP 197 HZ3 -0.02 0.00 -0.84 -0.04 7.13 6.23 2bv9A1 TRP 197 HH2 0.02 0.03 -0.44 -0.04 7.19 6.76 2bv9A1 GLN 198 H -0.36 0.11 0.21 -0.55 8.47 7.89 2bv9A1 GLN 198 HA 0.21 0.20 0.86 -0.75 4.36 4.87 2bv9A1 GLN 198 HB2 0.11 -0.06 0.07 -0.04 2.15 2.23 2bv9A1 GLN 198 HB3 0.14 0.00 -0.06 -0.04 2.02 2.06 2bv9A1 GLN 198 HG2 0.15 0.00 -0.13 -0.04 2.40 2.38 2bv9A1 GLN 198 HG3 0.15 0.16 -0.32 -0.04 2.39 2.34 2bv9A1 GLN 198 HE21 0.12 0.02 -0.03 -0.04 6.97 7.04 2bv9A1 GLN 198 HE22 0.12 0.00 -0.09 -0.04 7.69 7.68 2bv9A1 SER 199 H 0.25 0.16 0.08 -0.55 8.46 8.41 2bv9A1 SER 199 HA 0.29 0.13 0.46 -0.75 4.49 4.62 2bv9A1 SER 199 HB2 0.05 0.03 0.12 -0.04 3.95 4.10 2bv9A1 SER 199 HB3 0.23 0.12 0.10 -0.04 3.93 4.34 2bv9A1 PHE 200 H -0.62 0.21 0.13 -0.55 8.34 7.51 2bv9A1 PHE 200 HA 0.09 0.10 0.38 -0.75 4.62 4.43 2bv9A1 PHE 200 HB2 -1.20 0.06 0.13 -0.04 3.15 2.10 2bv9A1 PHE 200 HB3 -0.49 -0.01 0.09 -0.04 3.06 2.60 2bv9A1 PHE 200 HD2 -0.27 -0.03 -0.18 -0.04 7.28 6.76 2bv9A1 PHE 200 HE2 -1.51 0.04 -0.12 -0.04 7.38 5.75 2bv9A1 PHE 200 HZ -1.18 0.06 -0.08 -0.04 7.32 6.09 2bv9A1 ASP 201 H 0.12 0.09 -0.19 -0.55 8.40 7.87 2bv9A1 ASP 201 HA 0.25 0.11 0.31 -0.75 4.63 4.55 2bv9A1 ASP 201 HB2 0.18 0.03 0.05 -0.04 2.71 2.93 2bv9A1 ASP 201 HB3 0.13 -0.03 0.02 -0.04 2.70 2.78 2bv9A1 GLN 202 H 0.11 -0.02 -0.31 -0.55 8.47 7.71 2bv9A1 GLN 202 HA 0.09 0.08 0.40 -0.75 4.36 4.18 2bv9A1 GLN 202 HB2 0.14 -0.05 0.06 -0.04 2.15 2.26 2bv9A1 GLN 202 HB3 0.11 0.07 -0.02 -0.04 2.02 2.14 2bv9A1 GLN 202 HG2 0.11 0.08 0.03 -0.04 2.40 2.59 2bv9A1 GLN 202 HG3 0.12 -0.07 0.01 -0.04 2.39 2.42 2bv9A1 GLN 202 HE21 0.15 0.04 0.02 -0.04 6.97 7.15 2bv9A1 GLN 202 HE22 0.12 0.04 0.01 -0.04 7.69 7.82 2bv9A1 VAL 203 H 0.03 0.45 -0.34 -0.55 8.24 7.83 2bv9A1 VAL 203 HA -0.07 0.06 0.57 -0.75 4.13 3.94 2bv9A1 VAL 203 HB -0.21 0.11 0.06 -0.04 2.12 2.04 2bv9A1 VAL 203 HG13 -0.77 -0.03 -0.21 -0.04 0.97 -0.08 2bv9A1 VAL 203 HG23 0.10 0.02 -0.21 -0.04 0.95 0.82 2bv9A1 PHE 204 H -0.06 0.49 -0.07 -0.55 8.34 8.14 2bv9A1 PHE 204 HA -0.09 0.15 0.55 -0.75 4.62 4.48 2bv9A1 PHE 204 HB2 -0.74 0.09 -0.03 -0.04 3.15 2.43 2bv9A1 PHE 204 HB3 -0.18 -0.02 -0.03 -0.04 3.06 2.78 2bv9A1 PHE 204 HD2 -0.82 0.07 -0.05 -0.04 7.28 6.44 2bv9A1 PHE 204 HE2 -0.11 -0.02 -0.24 -0.04 7.38 6.96 2bv9A1 PHE 204 HZ -0.10 0.17 0.13 -0.04 7.32 7.48 2bv9A1 SER 205 H 0.12 0.54 -0.03 -0.55 8.46 8.55 2bv9A1 SER 205 HA 0.20 0.05 0.27 -0.75 4.49 4.26 2bv9A1 SER 205 HB2 0.09 -0.02 0.07 -0.04 3.95 4.05 2bv9A1 SER 205 HB3 0.13 0.44 0.19 -0.04 3.93 4.65 2bv9A1 ARG 206 H 0.07 0.20 -0.16 -0.55 8.46 8.02 2bv9A1 ARG 206 HA 0.06 0.07 0.35 -0.75 4.34 4.07 2bv9A1 ARG 206 HB2 0.13 0.09 0.12 -0.04 1.90 2.21 2bv9A1 ARG 206 HB3 0.23 -0.00 0.01 -0.04 1.80 1.99 2bv9A1 ARG 206 HG2 0.11 0.00 0.04 -0.04 1.67 1.77 2bv9A1 ARG 206 HG3 0.09 -0.05 0.03 -0.04 1.67 1.70 2bv9A1 ARG 206 HD2 0.13 -0.01 0.04 -0.04 3.22 3.34 2bv9A1 ARG 206 HD3 0.08 -0.01 0.03 -0.04 3.22 3.29 2bv9A1 ALA 207 H -0.09 0.20 -0.12 -0.55 8.40 7.84 2bv9A1 ALA 207 HA -1.31 0.01 0.52 -0.75 4.34 2.80 2bv9A1 ALA 207 HB3 -0.21 0.06 0.04 -0.04 1.41 1.26 2bv9A1 TYR 208 H 0.16 0.56 -0.17 -0.55 8.29 8.30 2bv9A1 TYR 208 HA 0.02 0.01 0.38 -0.75 4.56 4.21 2bv9A1 TYR 208 HB2 0.28 -0.01 0.02 -0.04 3.06 3.31 2bv9A1 TYR 208 HB3 0.03 0.09 0.10 -0.04 2.98 3.17 2bv9A1 TYR 208 HD2 -0.01 -0.00 -0.13 -0.04 7.15 6.97 2bv9A1 TYR 208 HE2 -0.04 0.03 -0.07 -0.04 6.85 6.74 2bv9A1 GLN 209 H 0.07 0.63 -0.07 -0.55 8.47 8.56 2bv9A1 GLN 209 HA -0.09 0.04 0.39 -0.75 4.36 3.94 2bv9A1 GLN 209 HB2 0.01 0.09 0.19 -0.04 2.15 2.40 2bv9A1 GLN 209 HB3 -0.01 -0.04 0.01 -0.04 2.02 1.95 2bv9A1 GLN 209 HG2 0.08 0.00 0.06 -0.04 2.40 2.50 2bv9A1 GLN 209 HG3 0.03 0.00 0.01 -0.04 2.39 2.39 2bv9A1 GLN 209 HE21 0.05 -0.04 -0.09 -0.04 6.97 6.85 2bv9A1 GLN 209 HE22 0.05 -0.12 -0.23 -0.04 7.69 7.36 2bv9A1 ALA 210 H -0.14 0.36 -0.31 -0.55 8.40 7.76 2bv9A1 ALA 210 HA -0.04 0.03 0.41 -0.75 4.34 3.98 2bv9A1 ALA 210 HB3 -0.05 0.00 0.10 -0.04 1.41 1.42 2bv9A1 LEU 211 H -0.16 0.59 -0.02 -0.55 8.37 8.23 2bv9A1 LEU 211 HA -0.14 -0.01 0.40 -0.75 4.35 3.85 2bv9A1 LEU 211 HB2 -0.12 0.06 0.05 -0.04 1.64 1.59 2bv9A1 LEU 211 HB3 -0.06 0.00 -0.05 -0.04 1.64 1.50 2bv9A1 LEU 211 HG -0.05 0.11 0.01 -0.04 1.64 1.67 2bv9A1 LEU 211 HD13 0.09 -0.02 -0.18 -0.04 0.93 0.79 2bv9A1 LEU 211 HD23 0.13 -0.02 -0.07 -0.04 0.89 0.89 2bv9A1 ALA 212 H -0.32 0.58 -0.28 -0.55 8.40 7.83 2bv9A1 ALA 212 HA -0.27 0.11 0.48 -0.75 4.34 3.91 2bv9A1 ALA 212 HB3 -0.48 -0.01 0.07 -0.04 1.41 0.95 2bv9A1 SER 213 H -0.15 0.34 -0.48 -0.55 8.46 7.63 2bv9A1 SER 213 HA -0.09 0.06 0.49 -0.75 4.49 4.20 2bv9A1 SER 213 HB2 -0.08 -0.10 0.11 -0.04 3.95 3.84 2bv9A1 SER 213 HB3 -0.08 0.01 0.10 -0.04 3.93 3.91 2bv9A1 ILE 214 H -0.16 0.52 -0.40 -0.55 8.25 7.65 2bv9A1 ILE 214 HA -0.15 0.05 0.81 -0.75 4.18 4.13 2bv9A1 ILE 214 HB -0.22 0.20 0.12 -0.04 1.89 1.95 2bv9A1 ILE 214 HG12 -0.30 0.04 -0.09 -0.04 1.49 1.09 2bv9A1 ILE 214 HG13 -0.70 0.00 -0.04 -0.04 1.21 0.42 2bv9A1 ILE 214 HG23 -0.23 -0.03 -0.20 -0.04 0.93 0.43 2bv9A1 ILE 214 HD13 -0.43 0.00 -0.08 -0.04 0.88 0.33 2bv9A1 ASN 215 H -0.07 0.08 0.03 -0.55 8.53 8.03 2bv9A1 ASN 215 HA -0.05 0.19 0.53 -0.75 4.76 4.68 2bv9A1 ASN 215 HB2 -0.04 -0.01 0.08 -0.04 2.88 2.87 2bv9A1 ASN 215 HB3 -0.03 -0.04 0.20 -0.04 2.79 2.88 2bv9A1 ASN 215 HD21 -0.02 -0.01 0.02 -0.04 7.03 6.98 2bv9A1 ASN 215 HD22 -0.02 -0.04 0.06 -0.04 7.74 7.69 2bv9A1 LYS 216 H -0.05 0.66 -0.20 -0.55 8.42 8.27 2bv9A1 LYS 216 HA -0.05 0.19 0.62 -0.75 4.32 4.33 2bv9A1 LYS 216 HB2 0.00 -0.11 -0.18 -0.04 1.87 1.54 2bv9A1 LYS 216 HB3 -0.03 0.14 -0.17 -0.04 1.79 1.70 2bv9A1 LYS 216 HG2 0.00 -0.17 -0.59 -0.04 1.46 0.66 2bv9A1 LYS 216 HG3 0.08 -0.13 -0.30 -0.04 1.46 1.06 2bv9A1 LYS 216 HD2 -0.05 0.06 -0.20 -0.04 1.69 1.46 2bv9A1 LYS 216 HD3 -0.06 0.12 0.16 -0.04 1.68 1.86 2bv9A1 LYS 216 HE2 0.00 -0.14 0.00 -0.04 2.99 2.81 2bv9A1 LYS 216 HE3 0.04 -0.14 0.06 -0.04 2.99 2.91 2bv9A1 PRO 217 HA 0.06 0.17 0.58 -0.51 4.44 4.74 2bv9A1 PRO 217 HB2 0.26 -0.04 -0.03 -0.04 2.28 2.43 2bv9A1 PRO 217 HB3 0.11 0.07 0.12 -0.04 2.02 2.28 2bv9A1 PRO 217 HG2 -0.11 0.04 0.09 -0.04 2.03 2.01 2bv9A1 PRO 217 HG3 -0.01 0.02 0.07 -0.04 2.03 2.07 2bv9A1 PRO 217 HD2 -0.24 0.36 0.34 -0.04 3.68 4.10 2bv9A1 PRO 217 HD3 -0.11 0.12 0.23 -0.04 3.65 3.85 2bv9A1 ILE 218 H 0.12 0.55 0.31 -0.55 8.25 8.68 2bv9A1 ILE 218 HA 0.12 0.24 0.69 -0.75 4.18 4.48 2bv9A1 ILE 218 HB 0.17 -0.05 -0.23 -0.04 1.89 1.75 2bv9A1 ILE 218 HG12 0.04 -0.01 -0.29 -0.04 1.49 1.18 2bv9A1 ILE 218 HG13 0.04 0.14 -0.17 -0.04 1.21 1.18 2bv9A1 ILE 218 HG23 0.16 -0.05 -0.33 -0.04 0.93 0.67 2bv9A1 ILE 218 HD13 -0.12 -0.02 -0.25 -0.04 0.88 0.46 2bv9A1 ILE 219 H 0.09 0.66 0.39 -0.55 8.25 8.84 2bv9A1 ILE 219 HA 0.05 0.16 0.90 -0.75 4.18 4.54 2bv9A1 ILE 219 HB 0.04 -0.02 0.08 -0.04 1.89 1.95 2bv9A1 ILE 219 HG12 -0.13 0.02 -0.17 -0.04 1.49 1.17 2bv9A1 ILE 219 HG13 -0.16 0.02 -0.30 -0.04 1.21 0.74 2bv9A1 ILE 219 HG23 0.11 -0.03 -0.45 -0.04 0.93 0.51 2bv9A1 ILE 219 HD13 -0.62 0.00 -0.19 -0.04 0.88 0.04 2bv9A1 ILE 220 H -0.02 0.70 0.25 -0.55 8.25 8.63 2bv9A1 ILE 220 HA -0.03 0.09 0.92 -0.75 4.18 4.41 2bv9A1 ILE 220 HB -0.33 -0.05 0.30 -0.04 1.89 1.77 2bv9A1 ILE 220 HG12 -0.17 0.08 0.01 -0.04 1.49 1.37 2bv9A1 ILE 220 HG13 -0.47 -0.02 -0.00 -0.04 1.21 0.68 2bv9A1 ILE 220 HG23 -0.53 -0.02 -0.14 -0.04 0.93 0.21 2bv9A1 ILE 220 HD13 -0.38 -0.01 -0.08 -0.04 0.88 0.37 2bv9A1 ALA 221 H 0.11 0.37 0.09 -0.55 8.40 8.43 2bv9A1 ALA 221 HA 0.07 0.09 0.25 -0.75 4.34 4.00 2bv9A1 ALA 221 HB3 0.08 -0.01 -0.13 -0.04 1.41 1.30 2bv9A1 GLU 222 H 0.17 0.28 0.07 -0.55 8.60 8.57 2bv9A1 GLU 222 HA 0.23 0.33 0.49 -0.75 4.29 4.58 2bv9A1 GLU 222 HB2 0.12 -0.19 0.09 -0.04 2.09 2.07 2bv9A1 GLU 222 HB3 -0.03 -0.03 -0.05 -0.04 1.99 1.84 2bv9A1 GLU 222 HG2 0.46 0.12 -0.03 -0.04 2.34 2.85 2bv9A1 GLU 222 HG3 0.32 -0.03 -0.51 -0.04 2.34 2.08 2bv9A1 PHE 223 H 0.09 0.42 0.20 -0.55 8.34 8.50 2bv9A1 PHE 223 HA -0.58 0.38 0.54 -0.75 4.62 4.20 2bv9A1 PHE 223 HB2 0.19 -0.02 0.17 -0.04 3.15 3.44 2bv9A1 PHE 223 HB3 0.03 0.04 -0.01 -0.04 3.06 3.08 2bv9A1 PHE 223 HD2 0.33 0.04 -0.24 -0.04 7.28 7.37 2bv9A1 PHE 223 HE2 0.22 -0.01 -0.28 -0.04 7.38 7.27 2bv9A1 PHE 223 HZ -0.02 0.08 -0.12 -0.04 7.32 7.23 2bv9A1 ALA 224 H -0.74 0.40 0.37 -0.55 8.40 7.88 2bv9A1 ALA 224 HA -2.63 0.12 0.41 -0.75 4.34 1.48 2bv9A1 ALA 224 HB3 -0.86 0.04 0.15 -0.04 1.41 0.70 2bv9A1 SER 225 H -0.16 0.40 0.23 -0.55 8.46 8.38 2bv9A1 SER 225 HA -0.58 0.09 0.97 -0.75 4.49 4.22 2bv9A1 SER 225 HB2 -2.72 -0.05 -0.05 -0.04 3.95 1.09 2bv9A1 SER 225 HB3 -0.42 0.01 0.04 -0.04 3.93 3.52 2bv9A1 ALA 226 H -0.22 0.51 0.17 -0.55 8.40 8.31 2bv9A1 ALA 226 HA -0.22 0.21 0.64 -0.75 4.34 4.21 2bv9A1 ALA 226 HB3 -0.20 -0.04 -0.08 -0.04 1.41 1.05 2bv9A1 GLU 227 H -0.02 0.14 0.15 -0.55 8.60 8.33 2bv9A1 GLU 227 HA 0.22 0.07 0.70 -0.75 4.29 4.53 2bv9A1 GLU 227 HB2 0.03 0.01 0.12 -0.04 2.09 2.21 2bv9A1 GLU 227 HB3 0.06 -0.01 0.06 -0.04 1.99 2.07 2bv9A1 GLU 227 HG2 0.06 0.08 -0.04 -0.04 2.34 2.41 2bv9A1 GLU 227 HG3 0.03 0.11 -0.01 -0.04 2.34 2.44 2bv9A1 ILE 228 H 0.11 0.06 -0.05 -0.55 8.25 7.82 2bv9A1 ILE 228 HA 0.06 0.11 0.34 -0.75 4.18 3.93 2bv9A1 ILE 228 HB 0.04 -0.03 0.09 -0.04 1.89 1.95 2bv9A1 ILE 228 HG12 0.00 -0.16 0.05 -0.04 1.49 1.35 2bv9A1 ILE 228 HG13 -0.02 0.08 0.02 -0.04 1.21 1.26 2bv9A1 ILE 228 HG23 0.02 0.02 -0.10 -0.04 0.93 0.83 2bv9A1 ILE 228 HD13 -0.00 0.04 -0.04 -0.04 0.88 0.83 2bv9A1 GLY 229 H -0.02 0.21 0.24 -0.55 8.43 8.32 2bv9A1 GLY 229 HA2 -0.01 0.08 0.35 -0.51 4.01 3.92 2bv9A1 GLY 229 HA3 0.22 0.02 0.74 -0.51 4.01 4.48 2bv9A1 GLY 230 H -0.46 0.40 0.07 -0.55 8.43 7.89 2bv9A1 GLY 230 HA2 -0.80 0.10 0.29 -0.51 4.01 3.09 2bv9A1 GLY 230 HA3 -2.81 0.04 0.35 -0.51 4.01 1.08 2bv9A1 ASN 231 H -0.47 0.20 0.07 -0.55 8.53 7.78 2bv9A1 ASN 231 HA -0.01 0.17 0.83 -0.75 4.76 5.00 2bv9A1 ASN 231 HB2 -0.05 0.11 0.04 -0.04 2.88 2.94 2bv9A1 ASN 231 HB3 0.05 0.03 0.20 -0.04 2.79 3.02 2bv9A1 ASN 231 HD21 0.07 0.06 0.00 -0.04 7.03 7.12 2bv9A1 ASN 231 HD22 0.04 0.10 0.02 -0.04 7.74 7.86 2bv9A1 LYS 232 H 0.24 0.30 0.16 -0.55 8.42 8.57 2bv9A1 LYS 232 HA 0.61 0.09 0.32 -0.75 4.32 4.58 2bv9A1 LYS 232 HB2 0.35 0.23 0.05 -0.04 1.87 2.46 2bv9A1 LYS 232 HB3 0.24 -0.09 0.08 -0.04 1.79 1.98 2bv9A1 LYS 232 HG2 0.29 -0.03 -0.21 -0.04 1.46 1.46 2bv9A1 LYS 232 HG3 0.24 -0.04 -0.05 -0.04 1.46 1.57 2bv9A1 LYS 232 HD2 0.14 0.09 -0.54 -0.04 1.69 1.35 2bv9A1 LYS 232 HD3 0.17 -0.13 -0.15 -0.04 1.68 1.52 2bv9A1 LYS 232 HE2 0.27 -0.05 -0.06 -0.04 2.99 3.10 2bv9A1 LYS 232 HE3 0.47 -0.12 -0.01 -0.04 2.99 3.29 2bv9A1 ALA 233 H 0.21 0.07 -0.11 -0.55 8.40 8.02 2bv9A1 ALA 233 HA 0.22 0.16 0.49 -0.75 4.34 4.46 2bv9A1 ALA 233 HB3 0.12 -0.00 -0.11 -0.04 1.41 1.38 2bv9A1 ARG 234 H 0.22 0.07 -0.23 -0.55 8.46 7.97 2bv9A1 ARG 234 HA 0.17 0.11 0.46 -0.75 4.34 4.32 2bv9A1 ARG 234 HB2 0.14 0.01 0.08 -0.04 1.90 2.09 2bv9A1 ARG 234 HB3 0.23 0.07 0.09 -0.04 1.80 2.15 2bv9A1 ARG 234 HG2 0.19 -0.03 -0.17 -0.04 1.67 1.61 2bv9A1 ARG 234 HG3 0.12 0.04 0.04 -0.04 1.67 1.82 2bv9A1 ARG 234 HD2 0.08 0.05 -0.00 -0.04 3.22 3.31 2bv9A1 ARG 234 HD3 0.10 -0.03 0.01 -0.04 3.22 3.26 2bv9A1 TRP 235 H 0.59 0.38 -0.23 -0.55 7.97 8.17 2bv9A1 TRP 235 HA 0.29 -0.04 0.42 -0.75 4.62 4.53 2bv9A1 TRP 235 HB2 0.59 0.05 0.07 -0.04 3.23 3.90 2bv9A1 TRP 235 HB3 0.36 0.20 0.13 -0.04 3.23 3.88 2bv9A1 TRP 235 HD1 0.21 -0.03 -0.08 -0.04 7.22 7.28 2bv9A1 TRP 235 HE1 -0.14 0.61 0.22 -0.04 10.20 10.85 2bv9A1 TRP 235 HE3 0.41 0.12 -0.40 -0.04 7.59 7.67 2bv9A1 TRP 235 HZ2 0.11 0.04 -0.13 -0.04 7.44 7.42 2bv9A1 TRP 235 HZ3 0.49 0.06 -0.15 -0.04 7.13 7.49 2bv9A1 TRP 235 HH2 0.43 0.04 -0.10 -0.04 7.19 7.52 2bv9A1 ILE 236 H 0.58 0.52 -0.19 -0.55 8.25 8.60 2bv9A1 ILE 236 HA 0.59 -0.01 0.45 -0.75 4.18 4.45 2bv9A1 ILE 236 HB 0.33 0.12 0.20 -0.04 1.89 2.50 2bv9A1 ILE 236 HG12 0.63 -0.03 0.03 -0.04 1.49 2.08 2bv9A1 ILE 236 HG13 0.76 -0.03 0.06 -0.04 1.21 1.96 2bv9A1 ILE 236 HG23 0.26 0.02 -0.21 -0.04 0.93 0.96 2bv9A1 ILE 236 HD13 0.25 -0.01 0.02 -0.04 0.88 1.10 2bv9A1 THR 237 H 0.21 0.46 -0.04 -0.55 8.28 8.35 2bv9A1 THR 237 HA 0.09 0.10 0.43 -0.75 4.39 4.25 2bv9A1 THR 237 HB 0.10 0.00 0.18 -0.04 4.32 4.57 2bv9A1 THR 237 HG23 0.04 0.00 -0.06 -0.04 1.22 1.16 2bv9A1 GLU 238 H 0.08 0.65 -0.10 -0.55 8.60 8.68 2bv9A1 GLU 238 HA -0.02 0.06 0.46 -0.75 4.29 4.04 2bv9A1 GLU 238 HB2 -0.02 0.04 0.15 -0.04 2.09 2.23 2bv9A1 GLU 238 HB3 -0.04 -0.10 0.05 -0.04 1.99 1.86 2bv9A1 GLU 238 HG2 0.03 0.01 0.03 -0.04 2.34 2.38 2bv9A1 GLU 238 HG3 0.08 0.11 0.07 -0.04 2.34 2.55 2bv9A1 ALA 239 H -0.20 0.57 -0.18 -0.55 8.40 8.04 2bv9A1 ALA 239 HA -0.77 -0.12 0.42 -0.75 4.34 3.11 2bv9A1 ALA 239 HB3 -0.65 0.03 0.12 -0.04 1.41 0.86 2bv9A1 TYR 240 H -0.02 0.56 -0.06 -0.55 8.29 8.22 2bv9A1 TYR 240 HA -0.27 0.02 0.43 -0.75 4.56 3.99 2bv9A1 TYR 240 HB2 -0.10 0.09 0.13 -0.04 3.06 3.14 2bv9A1 TYR 240 HB3 -0.11 0.09 -0.05 -0.04 2.98 2.87 2bv9A1 TYR 240 HD2 -0.07 0.07 -0.01 -0.04 7.15 7.10 2bv9A1 TYR 240 HE2 -0.07 -0.00 -0.04 -0.04 6.85 6.69 2bv9A1 ASN 241 H -0.03 0.49 -0.15 -0.55 8.53 8.28 2bv9A1 ASN 241 HA -0.01 0.09 0.55 -0.75 4.76 4.63 2bv9A1 ASN 241 HB2 -0.03 0.01 0.17 -0.04 2.88 2.99 2bv9A1 ASN 241 HB3 -0.01 -0.05 0.03 -0.04 2.79 2.71 2bv9A1 ASN 241 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.95 2bv9A1 ASN 241 HD22 0.01 -0.09 -0.08 -0.04 7.74 7.54 2bv9A1 SER 242 H -0.18 0.64 -0.14 -0.55 8.46 8.23 2bv9A1 SER 242 HA 0.00 -0.00 0.35 -0.75 4.49 4.08 2bv9A1 SER 242 HB2 -0.39 0.10 0.13 -0.04 3.95 3.75 2bv9A1 SER 242 HB3 0.13 -0.07 -0.07 -0.04 3.93 3.87 2bv9A1 ILE 243 H -0.46 0.61 -0.10 -0.55 8.25 7.75 2bv9A1 ILE 243 HA -0.23 -0.06 0.39 -0.75 4.18 3.53 2bv9A1 ILE 243 HB -0.33 0.12 0.12 -0.04 1.89 1.77 2bv9A1 ILE 243 HG12 -0.68 -0.06 -0.01 -0.04 1.49 0.69 2bv9A1 ILE 243 HG13 -1.30 0.06 0.05 -0.04 1.21 -0.02 2bv9A1 ILE 243 HG23 -0.14 0.01 -0.17 -0.04 0.93 0.60 2bv9A1 ILE 243 HD13 -0.96 -0.03 -0.11 -0.04 0.88 -0.25 2bv9A1 ARG 244 H -0.06 0.48 -0.26 -0.55 8.46 8.06 2bv9A1 ARG 244 HA 0.01 0.07 0.36 -0.75 4.34 4.02 2bv9A1 ARG 244 HB2 0.02 -0.00 0.08 -0.04 1.90 1.95 2bv9A1 ARG 244 HB3 -0.00 0.08 0.19 -0.04 1.80 2.03 2bv9A1 ARG 244 HG2 0.01 -0.01 -0.29 -0.04 1.67 1.34 2bv9A1 ARG 244 HG3 0.02 -0.02 -0.03 -0.04 1.67 1.60 2bv9A1 ARG 244 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.14 2bv9A1 ARG 244 HD3 0.01 0.04 -0.00 -0.04 3.22 3.23 2bv9A1 THR 245 H 0.00 0.41 -0.10 -0.55 8.28 8.04 2bv9A1 THR 245 HA 0.01 0.12 0.44 -0.75 4.39 4.21 2bv9A1 THR 245 HB 0.01 -0.06 0.03 -0.04 4.32 4.26 2bv9A1 THR 245 HG23 0.01 0.04 0.03 -0.04 1.22 1.25 2bv9A1 SER 246 H 0.06 0.62 0.04 -0.55 8.46 8.63 2bv9A1 SER 246 HA -0.04 0.21 0.95 -0.75 4.49 4.85 2bv9A1 SER 246 HB2 0.07 0.02 0.01 -0.04 3.95 4.01 2bv9A1 SER 246 HB3 -0.15 -0.06 0.09 -0.04 3.93 3.77 2bv9A1 TYR 247 H 0.10 0.39 -0.06 -0.55 8.29 8.17 2bv9A1 TYR 247 HA -0.56 0.13 0.85 -0.75 4.56 4.23 2bv9A1 TYR 247 HB2 -0.22 0.10 0.22 -0.04 3.06 3.11 2bv9A1 TYR 247 HB3 -0.36 -0.08 0.17 -0.04 2.98 2.66 2bv9A1 TYR 247 HD2 -0.51 0.11 -0.25 -0.04 7.15 6.47 2bv9A1 TYR 247 HE2 -0.04 -0.04 -0.21 -0.04 6.85 6.51 2bv9A1 ASN 248 H 0.08 0.17 -0.22 -0.55 8.53 8.02 2bv9A1 ASN 248 HA 0.08 0.25 0.13 -0.75 4.76 4.47 2bv9A1 ASN 248 HB2 0.06 0.02 0.11 -0.04 2.88 3.03 2bv9A1 ASN 248 HB3 0.05 0.10 -0.00 -0.04 2.79 2.90 2bv9A1 ASN 248 HD21 0.04 -0.04 -0.03 -0.04 7.03 6.96 2bv9A1 ASN 248 HD22 0.03 0.06 -0.01 -0.04 7.74 7.78 2bv9A1 LYS 249 H 0.31 -0.02 -0.38 -0.55 8.42 7.77 2bv9A1 LYS 249 HA 0.10 0.17 0.66 -0.75 4.32 4.50 2bv9A1 LYS 249 HB2 0.13 -0.07 -0.01 -0.04 1.87 1.88 2bv9A1 LYS 249 HB3 0.05 0.04 0.09 -0.04 1.79 1.92 2bv9A1 LYS 249 HG2 0.03 0.03 -0.02 -0.04 1.46 1.46 2bv9A1 LYS 249 HG3 0.07 -0.09 -0.05 -0.04 1.46 1.34 2bv9A1 LYS 249 HD2 -0.06 0.02 0.02 -0.04 1.69 1.64 2bv9A1 LYS 249 HD3 -0.17 -0.09 0.04 -0.04 1.68 1.42 2bv9A1 LYS 249 HE2 -0.13 0.14 0.14 -0.04 2.99 3.10 2bv9A1 LYS 249 HE3 -0.09 -0.10 0.00 -0.04 2.99 2.77 2bv9A1 VAL 250 H 0.22 0.47 -0.20 -0.55 8.24 8.17 2bv9A1 VAL 250 HA 0.14 0.16 0.66 -0.75 4.13 4.33 2bv9A1 VAL 250 HB 0.07 0.26 0.17 -0.04 2.12 2.58 2bv9A1 VAL 250 HG13 -0.03 -0.04 -0.15 -0.04 0.97 0.71 2bv9A1 VAL 250 HG23 0.18 -0.07 -0.08 -0.04 0.95 0.95 2bv9A1 ILE 251 H 0.10 0.61 0.40 -0.55 8.25 8.81 2bv9A1 ILE 251 HA 0.09 0.21 0.87 -0.75 4.18 4.59 2bv9A1 ILE 251 HB 0.14 0.00 0.10 -0.04 1.89 2.09 2bv9A1 ILE 251 HG12 0.22 -0.01 -0.06 -0.04 1.49 1.60 2bv9A1 ILE 251 HG13 0.12 0.10 -0.00 -0.04 1.21 1.39 2bv9A1 ILE 251 HG23 0.11 0.04 -0.13 -0.04 0.93 0.90 2bv9A1 ILE 251 HD13 0.03 -0.01 -0.32 -0.04 0.88 0.55 2bv9A1 ALA 252 H 0.07 0.20 0.21 -0.55 8.40 8.34 2bv9A1 ALA 252 HA 0.11 0.30 0.69 -0.75 4.34 4.69 2bv9A1 ALA 252 HB3 0.20 0.00 -0.14 -0.04 1.41 1.43 2bv9A1 ALA 253 H 0.15 0.76 0.27 -0.55 8.40 9.03 2bv9A1 ALA 253 HA -0.04 0.08 0.90 -0.75 4.34 4.53 2bv9A1 ALA 253 HB3 0.00 0.01 0.01 -0.04 1.41 1.39 2bv9A1 VAL 254 H 0.26 0.56 0.07 -0.55 8.24 8.58 2bv9A1 VAL 254 HA 0.34 0.12 0.71 -0.75 4.13 4.55 2bv9A1 VAL 254 HB 0.19 0.11 0.04 -0.04 2.12 2.42 2bv9A1 VAL 254 HG13 0.19 -0.04 -0.29 -0.04 0.97 0.79 2bv9A1 VAL 254 HG23 0.12 -0.00 -0.33 -0.04 0.95 0.70 2bv9A1 TRP 255 H 0.59 0.50 0.18 -0.55 7.97 8.69 2bv9A1 TRP 255 HA -0.01 0.15 0.60 -0.75 4.62 4.60 2bv9A1 TRP 255 HB2 0.18 0.05 0.14 -0.04 3.23 3.55 2bv9A1 TRP 255 HB3 0.11 -0.01 0.12 -0.04 3.23 3.41 2bv9A1 TRP 255 HD1 0.15 -0.12 -0.48 -0.04 7.22 6.74 2bv9A1 TRP 255 HE1 0.14 0.27 0.01 -0.04 10.20 10.58 2bv9A1 TRP 255 HE3 -1.05 0.01 -0.07 -0.04 7.59 6.45 2bv9A1 TRP 255 HZ2 0.06 0.17 0.05 -0.04 7.44 7.68 2bv9A1 TRP 255 HZ3 0.21 -0.02 -0.08 -0.04 7.13 7.20 2bv9A1 TRP 255 HH2 0.19 -0.06 -0.01 -0.04 7.19 7.27 2bv9A1 PHE 256 H -0.62 0.53 0.26 -0.55 8.34 7.96 2bv9A1 PHE 256 HA 0.35 0.11 0.94 -0.75 4.62 5.26 2bv9A1 PHE 256 HB2 -0.02 -0.00 0.02 -0.04 3.15 3.10 2bv9A1 PHE 256 HB3 -0.34 -0.03 0.07 -0.04 3.06 2.72 2bv9A1 PHE 256 HD2 -0.02 0.02 -0.07 -0.04 7.28 7.16 2bv9A1 PHE 256 HE2 -0.37 -0.03 -0.11 -0.04 7.38 6.83 2bv9A1 PHE 256 HZ -0.27 -0.01 -0.11 -0.04 7.32 6.88 2bv9A1 HIS 257 H 0.27 0.62 0.10 -0.55 8.41 8.85 2bv9A1 HIS 257 HA 0.46 0.06 0.49 -0.75 4.63 4.88 2bv9A1 HIS 257 HB2 0.30 0.01 0.01 -0.04 3.26 3.55 2bv9A1 HIS 257 HB3 -0.11 0.19 0.25 -0.04 3.20 3.48 2bv9A1 HIS 257 HD2 0.00 0.16 -0.28 -0.04 6.97 6.81 2bv9A1 HIS 257 HE1 0.04 -0.07 -0.04 -0.04 7.75 7.63 2bv9A1 GLU 258 H 0.17 0.28 0.09 -0.55 8.60 8.59 2bv9A1 GLU 258 HA -0.01 0.16 0.64 -0.75 4.29 4.33 2bv9A1 GLU 258 HB2 -0.04 0.11 -0.41 -0.04 2.09 1.71 2bv9A1 GLU 258 HB3 0.27 -0.02 -0.17 -0.04 1.99 2.03 2bv9A1 GLU 258 HG2 0.26 -0.25 -0.10 -0.04 2.34 2.21 2bv9A1 GLU 258 HG3 0.18 0.08 0.07 -0.04 2.34 2.63 2bv9A1 ASN 259 H 0.04 0.26 0.02 -0.55 8.53 8.30 2bv9A1 ASN 259 HA -0.01 0.21 0.61 -0.75 4.76 4.81 2bv9A1 ASN 259 HB2 -0.05 -0.08 -0.11 -0.04 2.88 2.60 2bv9A1 ASN 259 HB3 -0.02 0.07 0.11 -0.04 2.79 2.90 2bv9A1 ASN 259 HD21 -0.03 0.03 0.01 -0.04 7.03 7.00 2bv9A1 ASN 259 HD22 -0.02 0.01 0.01 -0.04 7.74 7.71 2bv9A1 LYS 260 H 0.11 0.05 -0.07 -0.55 8.42 7.96 2bv9A1 LYS 260 HA 0.04 0.24 0.82 -0.75 4.32 4.67 2bv9A1 LYS 260 HB2 0.13 -0.09 0.07 -0.04 1.87 1.94 2bv9A1 LYS 260 HB3 0.07 0.05 -0.02 -0.04 1.79 1.85 2bv9A1 LYS 260 HG2 0.08 0.08 -0.00 -0.04 1.46 1.58 2bv9A1 LYS 260 HG3 0.12 -0.10 -0.05 -0.04 1.46 1.39 2bv9A1 LYS 260 HD2 0.13 -0.04 -0.02 -0.04 1.69 1.72 2bv9A1 LYS 260 HD3 0.09 0.02 -0.01 -0.04 1.68 1.74 2bv9A1 LYS 260 HE2 0.23 -0.00 -0.01 -0.04 2.99 3.16 2bv9A1 LYS 260 HE3 0.15 -0.01 -0.01 -0.04 2.99 3.08 2bv9A1 GLU 261 H 0.05 -0.02 -0.04 -0.55 8.60 8.04 2bv9A1 GLU 261 HA -0.01 0.25 0.73 -0.75 4.29 4.51 2bv9A1 GLU 261 HB2 0.07 0.00 -0.02 -0.04 2.09 2.09 2bv9A1 GLU 261 HB3 0.05 -0.23 0.19 -0.04 1.99 1.96 2bv9A1 GLU 261 HG2 -0.00 0.01 -0.04 -0.04 2.34 2.28 2bv9A1 GLU 261 HG3 0.02 0.08 0.05 -0.04 2.34 2.45 2bv9A1 THR 262 H -0.13 0.08 0.10 -0.55 8.28 7.78 2bv9A1 THR 262 HA -0.35 0.12 0.52 -0.75 4.39 3.92 2bv9A1 THR 262 HB -1.64 -0.03 0.00 -0.04 4.32 2.61 2bv9A1 THR 262 HG23 -1.38 0.02 -0.17 -0.04 1.22 -0.35 2bv9A1 ASP 263 H -0.34 0.13 0.14 -0.55 8.40 7.78 2bv9A1 ASP 263 HA -0.16 0.11 0.75 -0.75 4.63 4.58 2bv9A1 ASP 263 HB2 -0.11 0.09 0.14 -0.04 2.71 2.79 2bv9A1 ASP 263 HB3 -0.10 -0.06 0.28 -0.04 2.70 2.78 2bv9A1 TRP 264 H -0.03 0.59 0.34 -0.55 7.97 8.32 2bv9A1 TRP 264 HA 0.04 0.19 0.58 -0.75 4.62 4.67 2bv9A1 TRP 264 HB2 0.13 -0.05 0.19 -0.04 3.23 3.46 2bv9A1 TRP 264 HB3 0.07 0.08 0.19 -0.04 3.23 3.53 2bv9A1 TRP 264 HD1 0.23 -0.03 -0.05 -0.04 7.22 7.33 2bv9A1 TRP 264 HE1 -0.09 -0.07 -0.06 -0.04 10.20 9.94 2bv9A1 TRP 264 HE3 -0.22 0.07 -0.45 -0.04 7.59 6.95 2bv9A1 TRP 264 HZ2 -0.98 -0.02 -0.11 -0.04 7.44 6.30 2bv9A1 TRP 264 HZ3 -0.47 0.14 -0.34 -0.04 7.13 6.42 2bv9A1 TRP 264 HH2 -1.48 -0.04 -0.24 -0.04 7.19 5.39 2bv9A1 ARG 265 H 0.11 0.04 -0.25 -0.55 8.46 7.82 2bv9A1 ARG 265 HA 0.15 -0.00 0.25 -0.75 4.34 3.99 2bv9A1 ARG 265 HB2 0.01 0.01 -0.15 -0.04 1.90 1.72 2bv9A1 ARG 265 HB3 0.01 -0.10 -0.12 -0.04 1.80 1.55 2bv9A1 ARG 265 HG2 -0.93 0.03 -0.23 -0.04 1.67 0.50 2bv9A1 ARG 265 HG3 -0.15 0.01 -0.31 -0.04 1.67 1.18 2bv9A1 ARG 265 HD2 -0.08 0.05 -0.14 -0.04 3.22 3.01 2bv9A1 ARG 265 HD3 -0.12 0.02 -0.14 -0.04 3.22 2.93 2bv9A1 ILE 266 H 0.55 0.17 0.13 -0.55 8.25 8.55 2bv9A1 ILE 266 HA -0.33 0.13 0.48 -0.75 4.18 3.70 2bv9A1 ILE 266 HB -0.78 0.05 0.07 -0.04 1.89 1.19 2bv9A1 ILE 266 HG12 -0.27 -0.07 0.03 -0.04 1.49 1.14 2bv9A1 ILE 266 HG13 -0.24 0.01 -0.24 -0.04 1.21 0.69 2bv9A1 ILE 266 HG23 -1.61 0.01 0.05 -0.04 0.93 -0.66 2bv9A1 ILE 266 HD13 -0.69 0.04 -0.09 -0.04 0.88 0.10 2bv9A1 ASN 267 H 0.13 0.03 -0.40 -0.55 8.53 7.74 2bv9A1 ASN 267 HA 0.01 0.19 0.77 -0.75 4.76 4.97 2bv9A1 ASN 267 HB2 0.00 0.02 0.07 -0.04 2.88 2.93 2bv9A1 ASN 267 HB3 -0.03 0.08 -0.06 -0.04 2.79 2.74 2bv9A1 ASN 267 HD21 0.06 0.01 -0.06 -0.04 7.03 7.00 2bv9A1 ASN 267 HD22 0.01 0.04 -0.03 -0.04 7.74 7.72 2bv9A1 SER 268 H 0.07 0.48 -0.44 -0.55 8.46 8.02 2bv9A1 SER 268 HA 0.02 0.06 0.48 -0.75 4.49 4.30 2bv9A1 SER 268 HB2 0.02 -0.07 0.09 -0.04 3.95 3.95 2bv9A1 SER 268 HB3 0.06 -0.02 -0.01 -0.04 3.93 3.91 2bv9A1 SER 269 H 0.05 0.16 -0.24 -0.55 8.46 7.89 2bv9A1 SER 269 HA 0.02 0.25 0.19 -0.75 4.49 4.20 2bv9A1 SER 269 HB2 0.03 0.02 0.19 -0.04 3.95 4.15 2bv9A1 SER 269 HB3 0.03 0.19 0.11 -0.04 3.93 4.22 2bv9A1 PRO 270 HA 0.01 0.16 0.48 -0.51 4.44 4.58 2bv9A1 PRO 270 HB2 0.01 0.00 0.07 -0.04 2.28 2.32 2bv9A1 PRO 270 HB3 0.01 0.11 0.11 -0.04 2.02 2.20 2bv9A1 PRO 270 HG2 0.01 0.07 0.10 -0.04 2.03 2.17 2bv9A1 PRO 270 HG3 0.01 0.12 0.08 -0.04 2.03 2.19 2bv9A1 PRO 270 HD2 0.02 0.07 0.23 -0.04 3.68 3.96 2bv9A1 PRO 270 HD3 0.01 0.22 0.14 -0.04 3.65 3.99 2bv9A1 GLU 271 H 0.03 0.11 -0.14 -0.55 8.60 8.06 2bv9A1 GLU 271 HA 0.04 0.17 0.41 -0.75 4.29 4.15 2bv9A1 GLU 271 HB2 0.05 0.08 0.06 -0.04 2.09 2.24 2bv9A1 GLU 271 HB3 0.04 0.03 0.11 -0.04 1.99 2.13 2bv9A1 GLU 271 HG2 0.09 0.33 -0.77 -0.04 2.34 1.96 2bv9A1 GLU 271 HG3 0.09 -0.06 -0.17 -0.04 2.34 2.15 2bv9A1 ALA 272 H 0.07 0.04 -0.17 -0.55 8.40 7.79 2bv9A1 ALA 272 HA 0.13 -0.02 0.56 -0.75 4.34 4.26 2bv9A1 ALA 272 HB3 0.11 -0.00 0.01 -0.04 1.41 1.49 2bv9A1 LEU 273 H 0.03 0.34 -0.12 -0.55 8.37 8.07 2bv9A1 LEU 273 HA -0.03 0.13 0.44 -0.75 4.35 4.15 2bv9A1 LEU 273 HB2 -0.02 -0.07 0.12 -0.04 1.64 1.62 2bv9A1 LEU 273 HB3 -0.01 0.04 0.16 -0.04 1.64 1.79 2bv9A1 LEU 273 HG -0.04 0.03 -0.22 -0.04 1.64 1.37 2bv9A1 LEU 273 HD13 -0.12 0.04 -0.09 -0.04 0.93 0.71 2bv9A1 LEU 273 HD23 -0.05 0.00 -0.01 -0.04 0.89 0.79 2bv9A1 ALA 274 H 0.02 0.44 -0.08 -0.55 8.40 8.23 2bv9A1 ALA 274 HA -0.00 0.10 0.47 -0.75 4.34 4.15 2bv9A1 ALA 274 HB3 0.01 0.00 0.13 -0.04 1.41 1.51 2bv9A1 ALA 275 H 0.06 0.44 -0.18 -0.55 8.40 8.17 2bv9A1 ALA 275 HA 0.03 0.04 0.49 -0.75 4.34 4.15 2bv9A1 ALA 275 HB3 0.11 -0.01 0.18 -0.04 1.41 1.65 2bv9A1 TYR 276 H 0.12 0.53 -0.13 -0.55 8.29 8.25 2bv9A1 TYR 276 HA -0.07 -0.04 0.47 -0.75 4.56 4.17 2bv9A1 TYR 276 HB2 -0.19 0.06 0.20 -0.04 3.06 3.09 2bv9A1 TYR 276 HB3 -0.18 0.12 0.16 -0.04 2.98 3.04 2bv9A1 TYR 276 HD2 -0.33 0.03 -0.05 -0.04 7.15 6.76 2bv9A1 TYR 276 HE2 -0.26 0.01 -0.02 -0.04 6.85 6.54 2bv9A1 ARG 277 H 0.03 0.58 -0.03 -0.55 8.46 8.48 2bv9A1 ARG 277 HA -0.07 0.15 0.45 -0.75 4.34 4.12 2bv9A1 ARG 277 HB2 -0.03 -0.02 0.18 -0.04 1.90 1.99 2bv9A1 ARG 277 HB3 -0.05 -0.00 0.03 -0.04 1.80 1.74 2bv9A1 ARG 277 HG2 -0.05 0.23 0.03 -0.04 1.67 1.84 2bv9A1 ARG 277 HG3 -0.02 -0.06 0.12 -0.04 1.67 1.67 2bv9A1 ARG 277 HD2 -0.07 0.19 0.04 -0.04 3.22 3.33 2bv9A1 ARG 277 HD3 -0.04 -0.14 -0.09 -0.04 3.22 2.91 2bv9A1 GLU 278 H -0.05 0.47 -0.18 -0.55 8.60 8.29 2bv9A1 GLU 278 HA -0.07 0.06 0.48 -0.75 4.29 4.01 2bv9A1 GLU 278 HB2 -0.03 -0.00 0.12 -0.04 2.09 2.14 2bv9A1 GLU 278 HB3 -0.03 0.03 0.19 -0.04 1.99 2.14 2bv9A1 GLU 278 HG2 -0.02 0.00 -0.02 -0.04 2.34 2.26 2bv9A1 GLU 278 HG3 -0.04 0.00 -0.21 -0.04 2.34 2.05 2bv9A1 ALA 279 H -0.16 0.53 -0.15 -0.55 8.40 8.07 2bv9A1 ALA 279 HA -0.15 -0.01 0.39 -0.75 4.34 3.82 2bv9A1 ALA 279 HB3 -0.29 -0.02 0.10 -0.04 1.41 1.16 2bv9A1 ILE 280 H -0.48 0.56 -0.02 -0.55 8.25 7.76 2bv9A1 ILE 280 HA -0.45 0.03 0.51 -0.75 4.18 3.52 2bv9A1 ILE 280 HB -0.20 0.01 0.07 -0.04 1.89 1.73 2bv9A1 ILE 280 HG12 -0.25 0.14 0.15 -0.04 1.49 1.49 2bv9A1 ILE 280 HG13 -0.13 0.09 -0.15 -0.04 1.21 0.98 2bv9A1 ILE 280 HG23 -0.76 -0.01 0.03 -0.04 0.93 0.14 2bv9A1 ILE 280 HD13 -0.01 0.02 -0.09 -0.04 0.88 0.76 2bv9A1 GLY 281 H -0.16 0.34 -0.40 -0.55 8.43 7.66 2bv9A1 GLY 281 HA2 -0.07 0.06 0.39 -0.51 4.01 3.88 2bv9A1 GLY 281 HA3 -0.08 0.01 0.32 -0.51 4.01 3.75 2bv9A1 ALA 282 H -0.12 0.34 -0.48 -0.55 8.40 7.59 2bv9A1 ALA 282 HA -0.05 0.01 0.59 -0.75 4.34 4.14 2bv9A1 ALA 282 HB3 -0.05 -0.01 0.09 -0.04 1.41 1.39 2bv9A1 LEU 283 H -0.08 0.50 -0.35 -0.55 8.37 7.90 2bv9A1 LEU 283 HA -0.01 -0.03 0.58 -0.75 4.35 4.14 2bv9A1 LEU 283 HB2 -0.02 0.14 0.11 -0.04 1.64 1.83 2bv9A1 LEU 283 HB3 0.05 0.04 0.00 -0.04 1.64 1.69 2bv9A1 LEU 283 HG -0.10 0.01 0.05 -0.04 1.64 1.55 2bv9A1 LEU 283 HD13 -0.01 0.00 -0.03 -0.04 0.93 0.85 2bv9A1 LEU 283 HD23 0.03 -0.03 -0.06 -0.04 0.89 0.79 2bv9A1 GLU 284 H -0.02 0.08 0.16 -0.55 8.60 8.28 2bv9A1 GLU 284 HA -0.07 -0.07 0.33 -0.75 4.29 3.72 2bv9A1 GLU 284 HB2 -0.03 0.06 0.18 -0.04 2.09 2.27 2bv9A1 GLU 284 HB3 -0.17 0.10 0.05 -0.04 1.99 1.93 2bv9A1 GLU 284 HG2 -0.25 0.14 -0.22 -0.04 2.34 1.97 2bv9A1 GLU 284 HG3 -0.06 -0.13 0.07 -0.04 2.34 2.18 2bv9A1 HIS 285 H -0.02 0.03 0.17 -0.55 8.41 8.05 2bv9A1 HIS 285 HA -0.17 0.11 0.65 -0.75 4.63 4.47 2bv9A1 HIS 285 HB2 -0.07 0.06 0.12 -0.04 3.26 3.34 2bv9A1 HIS 285 HB3 -0.07 -0.06 0.18 -0.04 3.20 3.20 2bv9A1 HIS 285 HD2 0.01 -0.04 -0.08 -0.04 6.97 6.82 2bv9A1 HIS 285 HE1 0.06 -0.02 -0.05 -0.04 7.75 7.71 2bv9A1 HIS 286 H -0.32 0.21 0.12 -0.55 8.41 7.87 2bv9A1 HIS 286 HA -0.13 0.11 0.83 -0.75 4.63 4.68 2bv9A1 HIS 286 HB2 -0.09 -0.02 0.19 -0.04 3.26 3.29 2bv9A1 HIS 286 HB3 -0.06 0.02 0.02 -0.04 3.20 3.14 2bv9A1 HIS 286 HD2 -0.01 -0.06 -0.06 -0.04 6.97 6.79 2bv9A1 HIS 286 HE1 0.02 -0.05 -0.23 -0.04 7.75 7.44 2bv9A1 HIS 287 H -0.08 0.16 0.03 -0.55 8.41 7.97 2bv9A1 HIS 287 HA -0.14 0.00 0.48 -0.75 4.63 4.22 2bv9A1 HIS 287 HB2 0.07 -0.01 0.07 -0.04 3.26 3.35 2bv9A1 HIS 287 HB3 -0.01 -0.01 0.11 -0.04 3.20 3.25 2bv9A1 HIS 287 HD2 0.00 -0.04 -0.21 -0.04 6.97 6.68 2bv9A1 HIS 287 HE1 0.08 -0.04 0.01 -0.04 7.75 7.76 2bv9A1 HIS 288 H -0.30 0.10 0.23 -0.55 8.41 7.91 2bv9A1 HIS 288 HA -0.19 0.22 0.97 -0.75 4.63 4.88 2bv9A1 HIS 288 HB2 -0.16 0.11 0.07 -0.04 3.26 3.25 2bv9A1 HIS 288 HB3 -0.22 -0.07 0.11 -0.04 3.20 2.98 2bv9A1 HIS 288 HD2 -0.34 -0.08 -0.28 -0.04 6.97 6.23 2bv9A1 HIS 288 HE1 -0.23 -0.00 -0.07 -0.04 7.75 7.40 2bv9A1 HIS 289 H -0.73 0.38 0.21 -0.55 8.41 7.73 2bv9A1 HIS 289 HA -0.40 0.07 0.40 -0.75 4.63 3.95 2bv9A1 HIS 289 HB2 -0.15 0.10 -0.12 -0.04 3.26 3.05 2bv9A1 HIS 289 HB3 -0.16 -0.00 0.00 -0.04 3.20 3.00 2bv9A1 HIS 289 HD2 0.03 0.06 0.07 -0.04 6.97 7.08 2bv9A1 HIS 289 HE1 0.02 -0.00 -0.00 -0.04 7.75 7.72 2bv9A1 HIS 290 H -0.54 0.15 0.03 -0.55 8.41 7.51 2bv9A1 HIS 290 HA -0.09 0.22 0.53 -0.75 4.63 4.54 2bv9A1 HIS 290 HB2 -0.17 -0.03 0.11 -0.04 3.26 3.13 2bv9A1 HIS 290 HB3 -0.04 0.01 0.08 -0.04 3.20 3.21 2bv9A1 HIS 290 HD2 -0.05 -0.07 0.04 -0.04 6.97 6.84 2bv9A1 HIS 290 HE1 0.07 0.43 0.09 -0.04 7.75 8.30