============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 2 0.840 18.256 32.879 38.922 -99.200 -91.000 TYR 11 0.840 2.387 9.339 56.434 -99.200 -91.000 TRP 32 1.040 -24.126 24.041 56.038 -99.200 -91.000 TRP6 32 1.020 -22.171 24.346 57.328 -99.200 -91.000 HIS 43 0.900 -5.550 11.366 54.355 -99.200 -91.000 PHE 56 1.000 12.526 9.436 58.629 -99.200 -91.000 HIS 85 0.900 9.303 17.193 72.526 -99.200 -91.000 PHE 87 1.000 14.267 24.153 74.752 -99.200 -91.000 PHE 106 1.000 15.800 28.067 60.198 -99.200 -91.000 PHE 115 1.000 6.608 24.201 50.981 -99.200 -91.000 TYR 117 0.840 6.055 34.252 56.102 -99.200 -91.000 TYR 125 0.840 20.197 30.646 55.066 -99.200 -91.000 TYR 133 0.840 22.254 18.860 46.247 -99.200 -91.000 PHE 157 1.000 -7.871 24.311 60.446 -99.200 -91.000 HIS 178 0.900 6.933 38.469 45.137 -99.200 -91.000 HIS 180 0.900 3.411 41.664 51.106 -99.200 -91.000 TYR 185 0.840 -6.626 42.082 59.358 -99.200 -91.000 HIS 204 0.900 -10.068 22.587 72.576 -99.200 -91.000 PHE 213 1.000 -14.516 33.613 51.454 -99.200 -91.000 HIS 222 0.900 -4.668 43.763 47.952 -99.200 -91.000 TRP 240 1.040 0.097 22.893 35.892 -99.200 -91.000 TRP6 240 1.020 -1.977 21.748 35.873 -99.200 -91.000 HIS 244 0.900 -3.320 26.672 53.286 -99.200 -91.000 HIS 272 0.900 -4.253 15.737 50.323 -99.200 -91.000 PHE 304 1.000 -4.987 35.329 55.063 -99.200 -91.000 PHE 308 1.000 -6.105 37.291 59.289 -99.200 -91.000 TRP 310 1.040 -0.658 38.460 52.384 -99.200 -91.000 TRP6 310 1.020 -1.208 39.686 54.335 -99.200 -91.000 PHE 317 1.000 8.129 22.858 39.659 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1hn9A1 MET 1 HA -0.07 -0.08 0.22 -0.75 4.52 3.83 1hn9A1 MET 1 HB2 -0.08 -0.09 0.08 -0.04 2.15 2.02 1hn9A1 MET 1 HB3 -0.10 0.15 0.08 -0.04 2.03 2.12 1hn9A1 MET 1 HG2 -0.05 -0.00 0.05 -0.04 2.63 2.59 1hn9A1 MET 1 HG3 -0.02 0.00 0.20 -0.04 2.56 2.70 1hn9A1 MET 1 HE3 -0.03 -0.01 -0.01 -0.04 2.10 2.01 1hn9A1 TYR 2 H 0.06 0.66 0.29 -0.55 8.29 8.75 1hn9A1 TYR 2 HA -0.03 0.20 0.83 -0.75 4.56 4.80 1hn9A1 TYR 2 HB2 -0.03 0.02 -0.50 -0.04 3.06 2.51 1hn9A1 TYR 2 HB3 -0.03 -0.14 -0.10 -0.04 2.98 2.66 1hn9A1 TYR 2 HD2 -0.02 0.11 -0.18 -0.04 7.15 7.01 1hn9A1 TYR 2 HE2 -0.02 -0.00 0.03 -0.04 6.85 6.81 1hn9A1 THR 3 H 0.13 0.21 0.15 -0.55 8.28 8.22 1hn9A1 THR 3 HA 0.02 0.34 0.91 -0.75 4.39 4.91 1hn9A1 THR 3 HB 0.02 -0.07 0.10 -0.04 4.32 4.32 1hn9A1 THR 3 HG23 0.01 -0.02 -0.23 -0.04 1.22 0.93 1hn9A1 LYS 4 H 0.01 0.81 0.32 -0.55 8.42 9.00 1hn9A1 LYS 4 HA -0.08 0.04 1.02 -0.75 4.32 4.55 1hn9A1 LYS 4 HB2 0.01 0.10 0.03 -0.04 1.87 1.96 1hn9A1 LYS 4 HB3 -0.02 0.06 -0.11 -0.04 1.79 1.67 1hn9A1 LYS 4 HG2 -0.07 -0.05 0.09 -0.04 1.46 1.38 1hn9A1 LYS 4 HG3 -0.01 0.07 -0.17 -0.04 1.46 1.31 1hn9A1 LYS 4 HD2 0.01 -0.03 -0.05 -0.04 1.69 1.58 1hn9A1 LYS 4 HD3 -0.01 0.02 -0.04 -0.04 1.68 1.61 1hn9A1 LYS 4 HE2 -0.03 0.00 -0.19 -0.04 2.99 2.72 1hn9A1 LYS 4 HE3 -0.02 0.28 -0.10 -0.04 2.99 3.11 1hn9A1 ILE 5 H -0.19 0.18 0.08 -0.55 8.25 7.77 1hn9A1 ILE 5 HA 0.04 0.17 0.82 -0.75 4.18 4.45 1hn9A1 ILE 5 HB -0.14 0.01 0.11 -0.04 1.89 1.84 1hn9A1 ILE 5 HG12 0.07 0.01 -0.13 -0.04 1.49 1.40 1hn9A1 ILE 5 HG13 -0.05 -0.04 -0.16 -0.04 1.21 0.92 1hn9A1 ILE 5 HG23 0.20 -0.01 -0.14 -0.04 0.93 0.95 1hn9A1 ILE 5 HD13 0.14 -0.01 -0.12 -0.04 0.88 0.85 1hn9A1 ILE 6 H 0.08 0.49 0.26 -0.55 8.25 8.53 1hn9A1 ILE 6 HA 0.09 0.21 0.88 -0.75 4.18 4.61 1hn9A1 ILE 6 HB 0.07 0.08 0.13 -0.04 1.89 2.13 1hn9A1 ILE 6 HG12 0.12 0.01 -0.13 -0.04 1.49 1.45 1hn9A1 ILE 6 HG13 0.07 -0.03 -0.21 -0.04 1.21 1.00 1hn9A1 ILE 6 HG23 0.07 0.00 -0.16 -0.04 0.93 0.80 1hn9A1 ILE 6 HD13 0.13 0.03 -0.08 -0.04 0.88 0.92 1hn9A1 GLY 7 H 0.09 0.18 0.09 -0.55 8.43 8.24 1hn9A1 GLY 7 HA2 0.05 0.17 0.55 -0.51 4.01 4.27 1hn9A1 GLY 7 HA3 0.03 0.14 0.33 -0.51 4.01 4.01 1hn9A1 THR 8 H 0.02 0.34 0.21 -0.55 8.28 8.30 1hn9A1 THR 8 HA 0.04 0.29 1.07 -0.75 4.39 5.04 1hn9A1 THR 8 HB -0.00 -0.02 0.12 -0.04 4.32 4.37 1hn9A1 THR 8 HG23 0.09 -0.01 -0.23 -0.04 1.22 1.03 1hn9A1 GLY 9 H -0.00 0.52 0.40 -0.55 8.43 8.80 1hn9A1 GLY 9 HA2 -0.02 0.16 0.59 -0.51 4.01 4.23 1hn9A1 GLY 9 HA3 -0.02 0.10 0.32 -0.51 4.01 3.90 1hn9A1 SER 10 H -0.01 0.36 0.26 -0.55 8.46 8.53 1hn9A1 SER 10 HA -0.00 0.12 0.69 -0.75 4.49 4.55 1hn9A1 SER 10 HB2 -0.06 0.00 0.18 -0.04 3.95 4.04 1hn9A1 SER 10 HB3 -0.04 0.07 -0.02 -0.04 3.93 3.90 1hn9A1 TYR 11 H 0.01 0.65 0.35 -0.55 8.29 8.75 1hn9A1 TYR 11 HA -0.09 0.16 0.73 -0.75 4.56 4.61 1hn9A1 TYR 11 HB2 -0.06 0.08 -0.18 -0.04 3.06 2.86 1hn9A1 TYR 11 HB3 -0.05 -0.03 0.07 -0.04 2.98 2.93 1hn9A1 TYR 11 HD2 -0.04 -0.02 -0.08 -0.04 7.15 6.97 1hn9A1 TYR 11 HE2 -0.01 -0.04 -0.13 -0.04 6.85 6.63 1hn9A1 LEU 12 H -0.67 0.28 0.12 -0.55 8.37 7.56 1hn9A1 LEU 12 HA -0.52 0.12 0.96 -0.75 4.35 4.15 1hn9A1 LEU 12 HB2 -0.84 0.02 0.09 -0.04 1.64 0.87 1hn9A1 LEU 12 HB3 -1.45 0.11 0.06 -0.04 1.64 0.32 1hn9A1 LEU 12 HG -1.16 0.05 -0.04 -0.04 1.64 0.46 1hn9A1 LEU 12 HD13 -0.55 0.01 0.03 -0.04 0.93 0.38 1hn9A1 LEU 12 HD23 -0.38 -0.05 -0.24 -0.04 0.89 0.17 1hn9A1 PRO 13 HA -0.10 -0.01 0.34 -0.51 4.44 4.16 1hn9A1 PRO 13 HB2 0.04 0.10 -0.40 -0.04 2.28 1.98 1hn9A1 PRO 13 HB3 0.07 -0.10 -0.06 -0.04 2.02 1.89 1hn9A1 PRO 13 HG2 0.03 -0.06 -0.30 -0.04 2.03 1.67 1hn9A1 PRO 13 HG3 0.08 -0.02 -0.10 -0.04 2.03 1.95 1hn9A1 PRO 13 HD2 -0.10 0.24 0.01 -0.04 3.68 3.79 1hn9A1 PRO 13 HD3 -0.22 0.11 0.07 -0.04 3.65 3.56 1hn9A1 GLU 14 H 0.06 0.01 0.15 -0.55 8.60 8.28 1hn9A1 GLU 14 HA 0.05 0.17 0.41 -0.75 4.29 4.17 1hn9A1 GLU 14 HB2 0.06 0.01 0.12 -0.04 2.09 2.24 1hn9A1 GLU 14 HB3 0.05 -0.07 0.13 -0.04 1.99 2.06 1hn9A1 GLU 14 HG2 0.02 -0.00 -0.22 -0.04 2.34 2.11 1hn9A1 GLU 14 HG3 0.03 0.04 0.04 -0.04 2.34 2.41 1hn9A1 GLN 15 H 0.04 0.02 -0.02 -0.55 8.47 7.96 1hn9A1 GLN 15 HA -0.00 0.05 0.50 -0.75 4.36 4.15 1hn9A1 GLN 15 HB2 0.02 -0.05 0.09 -0.04 2.15 2.17 1hn9A1 GLN 15 HB3 0.02 0.13 0.09 -0.04 2.02 2.22 1hn9A1 GLN 15 HG2 -0.01 0.05 -0.31 -0.04 2.40 2.10 1hn9A1 GLN 15 HG3 -0.00 -0.01 0.04 -0.04 2.39 2.37 1hn9A1 GLN 15 HE21 0.01 0.00 -0.08 -0.04 6.97 6.87 1hn9A1 GLN 15 HE22 0.00 0.03 -0.14 -0.04 7.69 7.54 1hn9A1 VAL 16 H -0.05 0.15 0.24 -0.55 8.24 8.03 1hn9A1 VAL 16 HA -0.19 0.30 1.01 -0.75 4.13 4.50 1hn9A1 VAL 16 HB -0.10 -0.07 0.10 -0.04 2.12 2.02 1hn9A1 VAL 16 HG13 -0.15 -0.03 -0.23 -0.04 0.97 0.52 1hn9A1 VAL 16 HG23 -0.34 0.07 -0.17 -0.04 0.95 0.47 1hn9A1 ARG 17 H -0.09 0.88 0.30 -0.55 8.46 9.00 1hn9A1 ARG 17 HA -0.02 0.08 0.93 -0.75 4.34 4.58 1hn9A1 ARG 17 HB2 -0.00 -0.01 -0.04 -0.04 1.90 1.80 1hn9A1 ARG 17 HB3 -0.01 0.04 0.14 -0.04 1.80 1.93 1hn9A1 ARG 17 HG2 0.01 0.03 -0.21 -0.04 1.67 1.45 1hn9A1 ARG 17 HG3 0.00 -0.07 -0.03 -0.04 1.67 1.53 1hn9A1 ARG 17 HD2 0.03 0.09 -0.07 -0.04 3.22 3.23 1hn9A1 ARG 17 HD3 0.02 0.00 -0.11 -0.04 3.22 3.10 1hn9A1 THR 18 H -0.02 0.11 0.12 -0.55 8.28 7.95 1hn9A1 THR 18 HA -0.02 0.40 0.82 -0.75 4.39 4.83 1hn9A1 THR 18 HB -0.01 -0.01 0.22 -0.04 4.32 4.48 1hn9A1 THR 18 HG23 -0.03 0.06 0.00 -0.04 1.22 1.21 1hn9A1 ASN 19 H -0.00 0.34 0.28 -0.55 8.53 8.60 1hn9A1 ASN 19 HA 0.02 0.15 0.43 -0.75 4.76 4.60 1hn9A1 ASN 19 HB2 0.01 -0.03 0.21 -0.04 2.88 3.03 1hn9A1 ASN 19 HB3 0.03 -0.12 0.08 -0.04 2.79 2.74 1hn9A1 ASN 19 HD21 -0.01 0.52 0.27 -0.04 7.03 7.77 1hn9A1 ASN 19 HD22 0.00 -0.14 0.16 -0.04 7.74 7.73 1hn9A1 ALA 20 H 0.00 0.11 -0.13 -0.55 8.40 7.83 1hn9A1 ALA 20 HA 0.01 0.07 0.42 -0.75 4.34 4.08 1hn9A1 ALA 20 HB3 0.00 0.03 0.07 -0.04 1.41 1.47 1hn9A1 ASP 21 H 0.00 0.06 -0.36 -0.55 8.40 7.55 1hn9A1 ASP 21 HA 0.00 0.08 0.38 -0.75 4.63 4.33 1hn9A1 ASP 21 HB2 -0.00 0.23 0.15 -0.04 2.71 3.05 1hn9A1 ASP 21 HB3 0.00 0.06 -0.00 -0.04 2.70 2.72 1hn9A1 LEU 22 H 0.01 0.37 -0.22 -0.55 8.37 7.99 1hn9A1 LEU 22 HA 0.02 0.06 0.33 -0.75 4.35 4.00 1hn9A1 LEU 22 HB2 0.03 0.05 0.06 -0.04 1.64 1.74 1hn9A1 LEU 22 HB3 0.04 -0.07 -0.10 -0.04 1.64 1.47 1hn9A1 LEU 22 HG 0.02 0.01 -0.10 -0.04 1.64 1.52 1hn9A1 LEU 22 HD13 0.03 -0.00 -0.16 -0.04 0.93 0.76 1hn9A1 LEU 22 HD23 0.03 0.02 -0.19 -0.04 0.89 0.71 1hn9A1 GLU 23 H 0.02 0.38 -0.33 -0.55 8.60 8.12 1hn9A1 GLU 23 HA 0.01 0.07 0.41 -0.75 4.29 4.03 1hn9A1 GLU 23 HB2 0.01 0.15 0.19 -0.04 2.09 2.39 1hn9A1 GLU 23 HB3 0.00 -0.02 0.09 -0.04 1.99 2.03 1hn9A1 GLU 23 HG2 0.02 0.25 0.15 -0.04 2.34 2.72 1hn9A1 GLU 23 HG3 0.03 0.08 -0.04 -0.04 2.34 2.37 1hn9A1 LYS 24 H 0.00 0.35 -0.44 -0.55 8.42 7.77 1hn9A1 LYS 24 HA -0.00 0.08 0.60 -0.75 4.32 4.25 1hn9A1 LYS 24 HB2 -0.00 -0.06 0.08 -0.04 1.87 1.86 1hn9A1 LYS 24 HB3 0.00 0.14 0.09 -0.04 1.79 1.99 1hn9A1 LYS 24 HG2 -0.00 0.01 0.07 -0.04 1.46 1.50 1hn9A1 LYS 24 HG3 -0.00 -0.03 0.11 -0.04 1.46 1.50 1hn9A1 LYS 24 HD2 -0.00 -0.03 0.02 -0.04 1.69 1.64 1hn9A1 LYS 24 HD3 0.00 -0.00 0.02 -0.04 1.68 1.65 1hn9A1 LYS 24 HE2 -0.00 0.01 0.02 -0.04 2.99 2.98 1hn9A1 LYS 24 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.97 1hn9A1 MET 25 H 0.00 0.38 -0.27 -0.55 8.47 8.04 1hn9A1 MET 25 HA -0.00 0.12 0.87 -0.75 4.52 4.76 1hn9A1 MET 25 HB2 0.01 -0.02 0.10 -0.04 2.15 2.20 1hn9A1 MET 25 HB3 0.00 0.08 0.04 -0.04 2.03 2.11 1hn9A1 MET 25 HG2 0.00 -0.03 -0.06 -0.04 2.63 2.50 1hn9A1 MET 25 HG3 0.00 0.10 -0.13 -0.04 2.56 2.49 1hn9A1 MET 25 HE3 0.01 0.02 -0.02 -0.04 2.10 2.07 1hn9A1 VAL 26 H -0.00 0.58 0.15 -0.55 8.24 8.42 1hn9A1 VAL 26 HA -0.02 0.16 0.79 -0.75 4.13 4.30 1hn9A1 VAL 26 HB -0.03 -0.12 -0.04 -0.04 2.12 1.89 1hn9A1 VAL 26 HG13 -0.00 0.02 -0.36 -0.04 0.97 0.58 1hn9A1 VAL 26 HG23 0.01 -0.02 -0.18 -0.04 0.95 0.73 1hn9A1 ASP 27 H -0.06 0.11 0.10 -0.55 8.40 8.00 1hn9A1 ASP 27 HA -0.07 0.15 0.53 -0.75 4.63 4.49 1hn9A1 ASP 27 HB2 -0.07 0.03 0.14 -0.04 2.71 2.77 1hn9A1 ASP 27 HB3 -0.11 -0.06 0.24 -0.04 2.70 2.73 1hn9A1 THR 28 H -0.05 0.55 0.39 -0.55 8.28 8.61 1hn9A1 THR 28 HA -0.21 0.06 0.60 -0.75 4.39 4.09 1hn9A1 THR 28 HB -0.08 0.02 -0.52 -0.04 4.32 3.70 1hn9A1 THR 28 HG23 0.04 0.06 -0.37 -0.04 1.22 0.92 1hn9A1 SER 29 H 0.14 0.16 0.18 -0.55 8.46 8.39 1hn9A1 SER 29 HA 0.04 0.31 0.89 -0.75 4.49 4.98 1hn9A1 SER 29 HB2 0.06 -0.02 0.14 -0.04 3.95 4.08 1hn9A1 SER 29 HB3 0.03 0.17 -0.06 -0.04 3.93 4.03 1hn9A1 ASP 30 H 0.05 0.25 0.14 -0.55 8.40 8.29 1hn9A1 ASP 30 HA 0.05 0.11 0.41 -0.75 4.63 4.45 1hn9A1 ASP 30 HB2 0.02 0.02 0.09 -0.04 2.71 2.80 1hn9A1 ASP 30 HB3 0.03 -0.03 0.16 -0.04 2.70 2.82 1hn9A1 GLU 31 H 0.06 0.10 -0.12 -0.55 8.60 8.09 1hn9A1 GLU 31 HA 0.02 0.11 0.37 -0.75 4.29 4.03 1hn9A1 GLU 31 HB2 0.03 0.05 0.09 -0.04 2.09 2.22 1hn9A1 GLU 31 HB3 0.08 -0.05 0.06 -0.04 1.99 2.04 1hn9A1 GLU 31 HG2 0.06 0.01 -0.32 -0.04 2.34 2.06 1hn9A1 GLU 31 HG3 0.02 0.02 -0.00 -0.04 2.34 2.33 1hn9A1 TRP 32 H 0.25 0.04 -0.24 -0.55 7.97 7.47 1hn9A1 TRP 32 HA -0.02 0.09 0.44 -0.75 4.62 4.37 1hn9A1 TRP 32 HB2 -0.02 -0.00 0.09 -0.04 3.23 3.26 1hn9A1 TRP 32 HB3 -0.02 -0.06 0.14 -0.04 3.23 3.25 1hn9A1 TRP 32 HD1 -0.02 0.01 0.01 -0.04 7.22 7.18 1hn9A1 TRP 32 HE1 -0.03 0.02 -0.00 -0.04 10.20 10.14 1hn9A1 TRP 32 HE3 -0.02 0.01 -0.23 -0.04 7.59 7.30 1hn9A1 TRP 32 HZ2 -0.03 -0.00 -0.02 -0.04 7.44 7.35 1hn9A1 TRP 32 HZ3 -0.02 0.03 -0.11 -0.04 7.13 6.98 1hn9A1 TRP 32 HH2 -0.03 -0.03 -0.06 -0.04 7.19 7.04 1hn9A1 ILE 33 H 0.22 0.57 -0.08 -0.55 8.25 8.42 1hn9A1 ILE 33 HA -0.09 0.01 0.41 -0.75 4.18 3.77 1hn9A1 ILE 33 HB 0.06 0.07 0.20 -0.04 1.89 2.17 1hn9A1 ILE 33 HG12 0.27 -0.02 -0.03 -0.04 1.49 1.67 1hn9A1 ILE 33 HG13 0.31 0.02 0.02 -0.04 1.21 1.53 1hn9A1 ILE 33 HG23 0.00 0.02 -0.10 -0.04 0.93 0.82 1hn9A1 ILE 33 HD13 0.09 -0.01 -0.14 -0.04 0.88 0.79 1hn9A1 VAL 34 H -0.03 0.66 -0.02 -0.55 8.24 8.30 1hn9A1 VAL 34 HA -0.09 -0.03 0.37 -0.75 4.13 3.63 1hn9A1 VAL 34 HB -0.05 0.05 0.12 -0.04 2.12 2.21 1hn9A1 VAL 34 HG13 -0.05 -0.01 -0.15 -0.04 0.97 0.72 1hn9A1 VAL 34 HG23 -0.02 0.07 0.01 -0.04 0.95 0.96 1hn9A1 THR 35 H -0.15 0.55 -0.08 -0.55 8.28 8.05 1hn9A1 THR 35 HA -0.14 0.05 0.37 -0.75 4.39 3.92 1hn9A1 THR 35 HB -0.14 -0.03 0.06 -0.04 4.32 4.17 1hn9A1 THR 35 HG23 -0.07 0.09 0.06 -0.04 1.22 1.26 1hn9A1 ARG 36 H -0.54 0.49 -0.23 -0.55 8.46 7.63 1hn9A1 ARG 36 HA -0.39 0.11 0.72 -0.75 4.34 4.03 1hn9A1 THR 37 H -0.26 0.55 0.04 -0.55 8.28 8.06 1hn9A1 THR 37 HA -0.16 0.14 1.18 -0.75 4.39 4.80 1hn9A1 THR 37 HB -0.12 -0.01 0.09 -0.04 4.32 4.24 1hn9A1 THR 37 HG23 -0.18 0.01 -0.12 -0.04 1.22 0.90 1hn9A1 GLY 38 H -0.13 0.44 0.25 -0.55 8.43 8.44 1hn9A1 GLY 38 HA2 -0.08 0.12 0.36 -0.51 4.01 3.90 1hn9A1 GLY 38 HA3 -0.08 -0.04 0.59 -0.51 4.01 3.98 1hn9A1 ILE 39 H -0.08 0.04 -0.29 -0.55 8.25 7.37 1hn9A1 ILE 39 HA -0.04 0.13 0.67 -0.75 4.18 4.18 1hn9A1 ILE 39 HB -0.05 0.00 -0.03 -0.04 1.89 1.77 1hn9A1 ILE 39 HG12 -0.06 0.04 -0.17 -0.04 1.49 1.25 1hn9A1 ILE 39 HG13 -0.08 -0.10 -0.35 -0.04 1.21 0.64 1hn9A1 ILE 39 HG23 -0.02 0.06 -0.16 -0.04 0.93 0.77 1hn9A1 ILE 39 HD13 -0.10 0.04 0.04 -0.04 0.88 0.83 1hn9A1 ARG 40 H -0.02 0.42 0.38 -0.55 8.46 8.69 1hn9A1 ARG 40 HA -0.02 0.07 1.00 -0.75 4.34 4.64 1hn9A1 ARG 40 HB2 -0.02 0.21 0.15 -0.04 1.90 2.20 1hn9A1 ARG 40 HB3 -0.02 -0.12 0.08 -0.04 1.80 1.70 1hn9A1 ARG 40 HG2 -0.02 -0.04 -0.10 -0.04 1.67 1.47 1hn9A1 ARG 40 HG3 -0.03 0.02 -0.21 -0.04 1.67 1.41 1hn9A1 ARG 40 HD2 -0.02 0.03 -0.02 -0.04 3.22 3.17 1hn9A1 ARG 40 HD3 -0.02 -0.04 -0.01 -0.04 3.22 3.11 1hn9A1 GLU 41 H -0.01 0.49 0.30 -0.55 8.60 8.83 1hn9A1 GLU 41 HA -0.04 0.25 0.82 -0.75 4.29 4.56 1hn9A1 GLU 41 HB2 -0.04 0.06 0.08 -0.04 2.09 2.15 1hn9A1 GLU 41 HB3 -0.12 -0.01 -0.05 -0.04 1.99 1.77 1hn9A1 GLU 41 HG2 -0.04 -0.00 -0.12 -0.04 2.34 2.13 1hn9A1 GLU 41 HG3 -0.03 -0.06 -0.26 -0.04 2.34 1.95 1hn9A1 ARG 42 H -0.07 0.37 0.21 -0.55 8.46 8.42 1hn9A1 ARG 42 HA 0.04 0.19 0.49 -0.75 4.34 4.30 1hn9A1 ARG 42 HB2 0.02 -0.04 -0.07 -0.04 1.90 1.77 1hn9A1 ARG 42 HB3 0.06 -0.05 -0.07 -0.04 1.80 1.70 1hn9A1 ARG 42 HG2 0.02 0.05 -0.45 -0.04 1.67 1.25 1hn9A1 ARG 42 HG3 0.01 -0.03 -0.70 -0.04 1.67 0.91 1hn9A1 ARG 42 HD2 -0.00 0.09 -0.12 -0.04 3.22 3.14 1hn9A1 ARG 42 HD3 0.03 0.08 -0.17 -0.04 3.22 3.11 1hn9A1 HIS 43 H 0.16 0.20 0.20 -0.55 8.41 8.43 1hn9A1 HIS 43 HA -0.04 0.31 0.85 -0.75 4.63 5.00 1hn9A1 HIS 43 HB2 -0.12 0.09 0.23 -0.04 3.26 3.43 1hn9A1 HIS 43 HB3 -0.11 -0.01 -0.00 -0.04 3.20 3.03 1hn9A1 HIS 43 HD2 -0.12 -0.03 0.11 -0.04 6.97 6.89 1hn9A1 HIS 43 HE1 -0.08 -0.04 -0.07 -0.04 7.75 7.52 1hn9A1 ILE 44 H 0.03 0.73 0.13 -0.55 8.25 8.60 1hn9A1 ILE 44 HA 0.05 0.02 0.93 -0.75 4.18 4.43 1hn9A1 ILE 44 HB 0.02 -0.05 -0.06 -0.04 1.89 1.76 1hn9A1 ILE 44 HG12 -0.00 0.03 -0.43 -0.04 1.49 1.05 1hn9A1 ILE 44 HG13 0.01 0.00 -0.24 -0.04 1.21 0.94 1hn9A1 ILE 44 HG23 0.03 0.04 -0.19 -0.04 0.93 0.77 1hn9A1 ILE 44 HD13 0.04 0.04 -0.22 -0.04 0.88 0.70 1hn9A1 ALA 45 H 0.05 0.04 0.07 -0.55 8.40 8.03 1hn9A1 ALA 45 HA 0.08 -0.07 0.34 -0.75 4.34 3.93 1hn9A1 ALA 45 HB3 0.07 0.00 0.00 -0.04 1.41 1.44 1hn9A1 ALA 46 H 0.08 -0.03 0.19 -0.55 8.40 8.10 1hn9A1 ALA 46 HA 0.04 0.20 0.53 -0.75 4.34 4.36 1hn9A1 ALA 46 HB3 0.05 -0.01 0.14 -0.04 1.41 1.55 1hn9A1 PRO 47 HA 0.03 0.14 0.42 -0.51 4.44 4.51 1hn9A1 PRO 47 HB2 0.02 -0.02 0.08 -0.04 2.28 2.31 1hn9A1 PRO 47 HB3 0.02 0.06 0.08 -0.04 2.02 2.14 1hn9A1 PRO 47 HG2 0.02 0.05 0.10 -0.04 2.03 2.16 1hn9A1 PRO 47 HG3 0.02 0.09 0.10 -0.04 2.03 2.20 1hn9A1 PRO 47 HD2 0.03 0.07 0.23 -0.04 3.68 3.96 1hn9A1 PRO 47 HD3 0.03 0.18 0.23 -0.04 3.65 4.05 1hn9A1 ASN 48 H 0.03 0.05 -0.25 -0.55 8.53 7.81 1hn9A1 ASN 48 HA 0.02 0.18 0.59 -0.75 4.76 4.80 1hn9A1 ASN 48 HB2 0.02 0.01 0.11 -0.04 2.88 2.99 1hn9A1 ASN 48 HB3 0.02 0.02 0.04 -0.04 2.79 2.82 1hn9A1 ASN 48 HD21 0.03 -0.01 -0.07 -0.04 7.03 6.94 1hn9A1 ASN 48 HD22 0.02 0.03 -0.05 -0.04 7.74 7.70 1hn9A1 GLU 49 H 0.04 0.62 -0.43 -0.55 8.60 8.28 1hn9A1 GLU 49 HA 0.04 0.14 0.93 -0.75 4.29 4.65 1hn9A1 GLU 49 HB2 0.08 0.08 0.05 -0.04 2.09 2.26 1hn9A1 GLU 49 HB3 0.10 -0.06 -0.03 -0.04 1.99 1.96 1hn9A1 GLU 49 HG2 0.06 0.08 -0.09 -0.04 2.34 2.34 1hn9A1 GLU 49 HG3 0.07 -0.05 -0.11 -0.04 2.34 2.20 1hn9A1 THR 50 H 0.05 0.06 0.19 -0.55 8.28 8.03 1hn9A1 THR 50 HA 0.05 0.37 0.88 -0.75 4.39 4.94 1hn9A1 THR 50 HB 0.05 -0.09 0.15 -0.04 4.32 4.39 1hn9A1 THR 50 HG23 0.04 0.11 -0.28 -0.04 1.22 1.04 1hn9A1 VAL 51 H 0.05 0.28 0.11 -0.55 8.24 8.13 1hn9A1 VAL 51 HA 0.06 0.10 0.24 -0.75 4.13 3.78 1hn9A1 VAL 51 HB 0.05 -0.05 0.06 -0.04 2.12 2.14 1hn9A1 VAL 51 HG13 0.05 0.00 -0.23 -0.04 0.97 0.76 1hn9A1 VAL 51 HG23 0.05 -0.01 -0.25 -0.04 0.95 0.70 1hn9A1 SER 52 H 0.05 0.06 -0.26 -0.55 8.46 7.76 1hn9A1 SER 52 HA 0.06 0.14 0.44 -0.75 4.49 4.37 1hn9A1 SER 52 HB2 0.02 0.03 -0.00 -0.04 3.95 3.96 1hn9A1 SER 52 HB3 0.01 0.11 -0.10 -0.04 3.93 3.91 1hn9A1 THR 53 H 0.04 0.00 -0.15 -0.55 8.28 7.63 1hn9A1 THR 53 HA 0.07 0.17 0.39 -0.75 4.39 4.26 1hn9A1 THR 53 HB 0.02 0.10 0.05 -0.04 4.32 4.45 1hn9A1 THR 53 HG23 0.00 0.05 0.06 -0.04 1.22 1.29 1hn9A1 MET 54 H 0.07 0.52 -0.15 -0.55 8.47 8.36 1hn9A1 MET 54 HA -0.02 0.08 0.32 -0.75 4.52 4.16 1hn9A1 MET 54 HB2 0.11 0.02 -0.04 -0.04 2.15 2.20 1hn9A1 MET 54 HB3 0.22 0.03 -0.14 -0.04 2.03 2.10 1hn9A1 MET 54 HG2 0.36 0.00 -0.10 -0.04 2.63 2.85 1hn9A1 MET 54 HG3 0.14 0.05 -0.07 -0.04 2.56 2.64 1hn9A1 MET 54 HE3 0.08 0.02 -0.23 -0.04 2.10 1.93 1hn9A1 GLY 55 H 0.08 0.41 -0.30 -0.55 8.43 8.08 1hn9A1 GLY 55 HA2 0.06 0.01 0.29 -0.51 4.01 3.86 1hn9A1 GLY 55 HA3 0.07 0.05 0.20 -0.51 4.01 3.82 1hn9A1 PHE 56 H 0.17 0.42 -0.44 -0.55 8.34 7.94 1hn9A1 PHE 56 HA -0.02 0.04 0.37 -0.75 4.62 4.26 1hn9A1 PHE 56 HB2 -0.02 -0.03 0.05 -0.04 3.15 3.11 1hn9A1 PHE 56 HB3 -0.05 0.11 0.14 -0.04 3.06 3.21 1hn9A1 PHE 56 HD2 -0.05 -0.01 -0.08 -0.04 7.28 7.10 1hn9A1 PHE 56 HE2 -0.04 0.02 -0.18 -0.04 7.38 7.15 1hn9A1 PHE 56 HZ -0.03 0.06 -0.07 -0.04 7.32 7.24 1hn9A1 GLU 57 H -0.06 0.41 -0.19 -0.55 8.60 8.21 1hn9A1 GLU 57 HA -0.41 0.07 0.36 -0.75 4.29 3.56 1hn9A1 GLU 57 HB2 -0.39 0.02 0.07 -0.04 2.09 1.75 1hn9A1 GLU 57 HB3 -0.27 0.04 0.07 -0.04 1.99 1.80 1hn9A1 GLU 57 HG2 -0.51 -0.04 -0.05 -0.04 2.34 1.70 1hn9A1 GLU 57 HG3 -0.08 0.04 -0.22 -0.04 2.34 2.04 1hn9A1 ALA 58 H -0.02 0.53 -0.21 -0.55 8.40 8.16 1hn9A1 ALA 58 HA -0.01 0.01 0.12 -0.75 4.34 3.70 1hn9A1 ALA 58 HB3 0.03 0.03 -0.30 -0.04 1.41 1.12 1hn9A1 ALA 59 H -0.04 0.63 -0.37 -0.55 8.40 8.07 1hn9A1 ALA 59 HA -0.01 -0.04 0.31 -0.75 4.34 3.85 1hn9A1 ALA 59 HB3 0.01 0.01 -0.03 -0.04 1.41 1.36 1hn9A1 THR 60 H -0.27 0.63 -0.20 -0.55 8.28 7.89 1hn9A1 THR 60 HA -0.15 0.02 0.41 -0.75 4.39 3.92 1hn9A1 THR 60 HB -0.23 -0.04 0.03 -0.04 4.32 4.04 1hn9A1 THR 60 HG23 -0.78 0.10 0.01 -0.04 1.22 0.51 1hn9A1 ARG 61 H -0.11 0.45 -0.31 -0.55 8.46 7.94 1hn9A1 ARG 61 HA -0.06 0.05 0.47 -0.75 4.34 4.04 1hn9A1 ARG 61 HB2 -0.04 0.02 0.20 -0.04 1.90 2.03 1hn9A1 ARG 61 HB3 -0.03 0.02 0.12 -0.04 1.80 1.86 1hn9A1 ARG 61 HG2 -0.05 -0.02 0.05 -0.04 1.67 1.62 1hn9A1 ARG 61 HG3 -0.08 0.07 0.04 -0.04 1.67 1.66 1hn9A1 ARG 61 HD2 -0.00 0.00 0.00 -0.04 3.22 3.18 1hn9A1 ARG 61 HD3 -0.01 -0.02 0.09 -0.04 3.22 3.25 1hn9A1 ALA 62 H -0.04 0.43 -0.26 -0.55 8.40 7.99 1hn9A1 ALA 62 HA -0.00 0.16 -0.00 -0.75 4.34 3.74 1hn9A1 ALA 62 HB3 0.01 0.00 -0.36 -0.04 1.41 1.03 1hn9A1 ILE 63 H -0.04 0.53 -0.32 -0.55 8.25 7.87 1hn9A1 ILE 63 HA -0.04 -0.02 0.33 -0.75 4.18 3.70 1hn9A1 ILE 63 HB -0.06 0.12 0.11 -0.04 1.89 2.02 1hn9A1 ILE 63 HG12 -0.04 -0.05 -0.12 -0.04 1.49 1.24 1hn9A1 ILE 63 HG13 -0.03 -0.01 -0.07 -0.04 1.21 1.06 1hn9A1 ILE 63 HG23 -0.05 -0.03 -0.16 -0.04 0.93 0.65 1hn9A1 ILE 63 HD13 -0.02 -0.03 -0.15 -0.04 0.88 0.64 1hn9A1 GLU 64 H -0.05 0.48 -0.19 -0.55 8.60 8.29 1hn9A1 GLU 64 HA -0.04 -0.02 0.34 -0.75 4.29 3.83 1hn9A1 GLU 64 HB2 -0.04 0.20 0.25 -0.04 2.09 2.46 1hn9A1 GLU 64 HB3 -0.03 -0.03 0.01 -0.04 1.99 1.90 1hn9A1 GLU 64 HG2 -0.04 -0.06 0.03 -0.04 2.34 2.24 1hn9A1 GLU 64 HG3 -0.06 0.10 0.06 -0.04 2.34 2.41 1hn9A1 MET 65 H -0.02 0.48 -0.13 -0.55 8.47 8.25 1hn9A1 MET 65 HA -0.01 0.01 0.41 -0.75 4.52 4.18 1hn9A1 MET 65 HB2 -0.01 0.02 0.20 -0.04 2.15 2.32 1hn9A1 MET 65 HB3 0.00 -0.06 0.25 -0.04 2.03 2.18 1hn9A1 MET 65 HG2 0.02 0.17 -0.02 -0.04 2.63 2.75 1hn9A1 MET 65 HG3 0.00 -0.03 0.09 -0.04 2.56 2.58 1hn9A1 MET 65 HE3 -0.02 0.03 0.02 -0.04 2.10 2.08 1hn9A1 ALA 66 H -0.01 0.45 -0.15 -0.55 8.40 8.14 1hn9A1 ALA 66 HA 0.01 0.29 0.35 -0.75 4.34 4.24 1hn9A1 ALA 66 HB3 -0.03 -0.07 -0.05 -0.04 1.41 1.23 1hn9A1 GLY 67 H -0.03 0.46 -0.35 -0.55 8.43 7.96 1hn9A1 GLY 67 HA2 -0.03 0.02 0.30 -0.51 4.01 3.79 1hn9A1 GLY 67 HA3 -0.02 0.04 0.46 -0.51 4.01 3.98 1hn9A1 ILE 68 H -0.10 0.15 -0.17 -0.55 8.25 7.58 1hn9A1 ILE 68 HA -0.14 0.22 0.89 -0.75 4.18 4.40 1hn9A1 ILE 68 HB -0.45 -0.06 -0.01 -0.04 1.89 1.33 1hn9A1 ILE 68 HG12 -0.20 0.01 -0.15 -0.04 1.49 1.11 1hn9A1 ILE 68 HG13 -0.17 -0.06 -0.42 -0.04 1.21 0.52 1hn9A1 ILE 68 HG23 -0.58 0.04 -0.19 -0.04 0.93 0.16 1hn9A1 ILE 68 HD13 -0.35 -0.00 -0.23 -0.04 0.88 0.26 1hn9A1 GLU 69 H -0.12 0.15 0.10 -0.55 8.60 8.19 1hn9A1 GLU 69 HA -0.05 0.15 0.60 -0.75 4.29 4.24 1hn9A1 GLU 69 HB2 -0.04 -0.01 0.10 -0.04 2.09 2.10 1hn9A1 GLU 69 HB3 -0.02 -0.05 0.03 -0.04 1.99 1.91 1hn9A1 GLU 69 HG2 -0.04 0.04 -0.03 -0.04 2.34 2.27 1hn9A1 GLU 69 HG3 -0.02 0.02 0.01 -0.04 2.34 2.31 1hn9A1 LYS 70 H -0.03 0.22 0.13 -0.55 8.42 8.19 1hn9A1 LYS 70 HA -0.03 0.06 0.26 -0.75 4.32 3.85 1hn9A1 LYS 70 HB2 0.01 0.01 0.04 -0.04 1.87 1.89 1hn9A1 LYS 70 HB3 -0.01 0.02 0.09 -0.04 1.79 1.86 1hn9A1 LYS 70 HG2 0.00 -0.13 0.09 -0.04 1.46 1.38 1hn9A1 LYS 70 HG3 0.01 0.08 -0.13 -0.04 1.46 1.38 1hn9A1 LYS 70 HD2 0.06 0.14 0.06 -0.04 1.69 1.91 1hn9A1 LYS 70 HD3 0.02 -0.08 0.04 -0.04 1.68 1.62 1hn9A1 LYS 70 HE2 0.05 -0.03 0.01 -0.04 2.99 2.99 1hn9A1 LYS 70 HE3 0.02 -0.11 0.02 -0.04 2.99 2.88 1hn9A1 ASP 71 H -0.01 0.04 -0.37 -0.55 8.40 7.51 1hn9A1 ASP 71 HA 0.01 0.14 0.45 -0.75 4.63 4.48 1hn9A1 ASP 71 HB2 0.01 0.03 0.14 -0.04 2.71 2.85 1hn9A1 ASP 71 HB3 0.00 0.01 0.07 -0.04 2.70 2.74 1hn9A1 GLN 72 H -0.03 0.62 -0.43 -0.55 8.47 8.08 1hn9A1 GLN 72 HA 0.06 0.11 0.60 -0.75 4.36 4.38 1hn9A1 GLN 72 HB2 -0.14 0.11 0.03 -0.04 2.15 2.11 1hn9A1 GLN 72 HB3 0.15 -0.04 0.07 -0.04 2.02 2.17 1hn9A1 GLN 72 HG2 0.06 0.02 -0.00 -0.04 2.40 2.43 1hn9A1 GLN 72 HG3 -0.02 -0.09 -0.02 -0.04 2.39 2.22 1hn9A1 GLN 72 HE21 0.10 0.04 0.02 -0.04 6.97 7.09 1hn9A1 GLN 72 HE22 0.16 0.01 0.02 -0.04 7.69 7.83 1hn9A1 ILE 73 H 0.01 0.34 -0.26 -0.55 8.25 7.79 1hn9A1 ILE 73 HA 0.10 0.02 0.40 -0.75 4.18 3.95 1hn9A1 ILE 73 HB 0.02 0.14 0.08 -0.04 1.89 2.09 1hn9A1 ILE 73 HG12 0.01 -0.03 -0.18 -0.04 1.49 1.25 1hn9A1 ILE 73 HG13 -0.03 0.01 -0.07 -0.04 1.21 1.07 1hn9A1 ILE 73 HG23 0.02 -0.04 -0.20 -0.04 0.93 0.67 1hn9A1 ILE 73 HD13 -0.00 -0.01 -0.08 -0.04 0.88 0.75 1hn9A1 GLY 74 H 0.08 0.71 0.39 -0.55 8.43 9.06 1hn9A1 GLY 74 HA2 0.02 0.17 0.85 -0.51 4.01 4.54 1hn9A1 GLY 74 HA3 0.03 -0.04 0.41 -0.51 4.01 3.90 1hn9A1 LEU 75 H 0.01 0.17 0.01 -0.55 8.37 8.01 1hn9A1 LEU 75 HA -0.05 0.22 0.57 -0.75 4.35 4.34 1hn9A1 LEU 75 HB2 -0.12 0.20 -0.17 -0.04 1.64 1.51 1hn9A1 LEU 75 HB3 -0.05 -0.09 -0.10 -0.04 1.64 1.37 1hn9A1 LEU 75 HG -0.12 -0.08 -0.38 -0.04 1.64 1.02 1hn9A1 LEU 75 HD13 -0.12 0.01 -0.09 -0.04 0.93 0.69 1hn9A1 LEU 75 HD23 -0.16 -0.01 -0.15 -0.04 0.89 0.53 1hn9A1 ILE 76 H -0.06 0.61 0.18 -0.55 8.25 8.44 1hn9A1 ILE 76 HA -0.05 0.30 1.03 -0.75 4.18 4.70 1hn9A1 ILE 76 HB -0.03 -0.06 0.13 -0.04 1.89 1.88 1hn9A1 ILE 76 HG12 0.00 0.04 -0.12 -0.04 1.49 1.37 1hn9A1 ILE 76 HG13 -0.00 0.02 -0.42 -0.04 1.21 0.77 1hn9A1 ILE 76 HG23 -0.02 -0.03 -0.19 -0.04 0.93 0.65 1hn9A1 ILE 76 HD13 0.02 0.00 -0.17 -0.04 0.88 0.69 1hn9A1 VAL 77 H -0.13 0.67 0.29 -0.55 8.24 8.51 1hn9A1 VAL 77 HA -0.57 0.29 1.04 -0.75 4.13 4.14 1hn9A1 VAL 77 HB -0.20 -0.01 0.11 -0.04 2.12 1.98 1hn9A1 VAL 77 HG13 -0.39 -0.01 -0.13 -0.04 0.97 0.39 1hn9A1 VAL 77 HG23 -0.44 0.02 -0.23 -0.04 0.95 0.25 1hn9A1 VAL 78 H -0.18 0.52 0.31 -0.55 8.24 8.34 1hn9A1 VAL 78 HA 0.00 0.31 1.17 -0.75 4.13 4.86 1hn9A1 VAL 78 HB -0.00 -0.18 0.03 -0.04 2.12 1.93 1hn9A1 VAL 78 HG13 0.04 -0.02 -0.34 -0.04 0.97 0.61 1hn9A1 VAL 78 HG23 0.00 0.02 -0.29 -0.04 0.95 0.64 1hn9A1 ALA 79 H 0.07 0.95 0.38 -0.55 8.40 9.25 1hn9A1 ALA 79 HA 0.04 0.24 0.91 -0.75 4.34 4.77 1hn9A1 ALA 79 HB3 0.11 -0.04 -0.04 -0.04 1.41 1.40 1hn9A1 THR 80 H 0.04 0.61 0.36 -0.55 8.28 8.74 1hn9A1 THR 80 HA 0.06 0.07 0.58 -0.75 4.39 4.34 1hn9A1 THR 80 HB 0.05 0.13 -0.07 -0.04 4.32 4.39 1hn9A1 THR 80 HG23 0.04 -0.01 -0.11 -0.04 1.22 1.10 1hn9A1 THR 81 H 0.03 0.12 0.19 -0.55 8.28 8.08 1hn9A1 THR 81 HA 0.02 0.25 0.69 -0.75 4.39 4.59 1hn9A1 THR 81 HB 0.00 0.15 0.24 -0.04 4.32 4.67 1hn9A1 THR 81 HG23 0.00 0.00 0.04 -0.04 1.22 1.22 1hn9A1 SER 82 H 0.03 0.00 0.11 -0.55 8.46 8.05 1hn9A1 SER 82 HA 0.00 0.37 0.71 -0.75 4.49 4.83 1hn9A1 SER 82 HB2 0.01 0.15 0.15 -0.04 3.95 4.22 1hn9A1 SER 82 HB3 -0.00 0.13 -0.11 -0.04 3.93 3.90 1hn9A1 ALA 83 H 0.03 0.07 -0.05 -0.55 8.40 7.90 1hn9A1 ALA 83 HA 0.04 -0.07 0.46 -0.75 4.34 4.02 1hn9A1 ALA 83 HB3 0.05 0.02 0.06 -0.04 1.41 1.50 1hn9A1 THR 84 H 0.08 -0.02 0.15 -0.55 8.28 7.93 1hn9A1 THR 84 HA -0.05 0.20 0.49 -0.75 4.39 4.28 1hn9A1 THR 84 HB -0.09 0.10 0.00 -0.04 4.32 4.29 1hn9A1 THR 84 HG23 0.04 -0.02 0.04 -0.04 1.22 1.24 1hn9A1 HIS 85 H 0.16 0.02 -0.13 -0.55 8.41 7.92 1hn9A1 HIS 85 HA -0.07 0.23 0.84 -0.75 4.63 4.88 1hn9A1 HIS 85 HB2 -0.01 0.17 -0.23 -0.04 3.26 3.16 1hn9A1 HIS 85 HB3 -0.08 0.16 -0.30 -0.04 3.20 2.94 1hn9A1 HIS 85 HD2 -0.07 0.06 0.01 -0.04 6.97 6.93 1hn9A1 HIS 85 HE1 -0.01 -0.01 -0.09 -0.04 7.75 7.59 1hn9A1 ALA 86 H -0.08 0.21 0.06 -0.55 8.40 8.04 1hn9A1 ALA 86 HA 0.04 0.02 0.40 -0.75 4.34 4.04 1hn9A1 ALA 86 HB3 -0.06 0.02 0.06 -0.04 1.41 1.38 1hn9A1 PHE 87 H -0.19 0.26 -0.09 -0.55 8.34 7.77 1hn9A1 PHE 87 HA 0.04 -0.09 -0.08 -0.75 4.62 3.74 1hn9A1 PHE 87 HB2 0.02 -0.01 0.07 -0.04 3.15 3.19 1hn9A1 PHE 87 HB3 0.03 0.10 0.02 -0.04 3.06 3.17 1hn9A1 PHE 87 HD2 0.02 0.03 -0.23 -0.04 7.28 7.06 1hn9A1 PHE 87 HE2 0.02 0.02 -0.04 -0.04 7.38 7.33 1hn9A1 PHE 87 HZ 0.01 0.02 -0.02 -0.04 7.32 7.30 1hn9A1 PRO 88 HA 0.15 0.03 0.34 -0.51 4.44 4.45 1hn9A1 PRO 88 HB2 0.00 0.04 -0.11 -0.04 2.28 2.17 1hn9A1 PRO 88 HB3 0.03 0.08 0.05 -0.04 2.02 2.14 1hn9A1 PRO 88 HG2 -0.18 -0.05 -0.03 -0.04 2.03 1.73 1hn9A1 PRO 88 HG3 -0.13 0.08 0.01 -0.04 2.03 1.96 1hn9A1 PRO 88 HD2 -0.19 0.14 0.41 -0.04 3.68 3.99 1hn9A1 PRO 88 HD3 0.03 0.12 0.14 -0.04 3.65 3.90 1hn9A1 SER 89 H 0.10 0.14 0.11 -0.55 8.46 8.26 1hn9A1 SER 89 HA 0.10 0.28 0.37 -0.75 4.49 4.49 1hn9A1 SER 89 HB2 0.09 -0.11 0.13 -0.04 3.95 4.01 1hn9A1 SER 89 HB3 0.11 0.21 0.19 -0.04 3.93 4.39 1hn9A1 ALA 90 H 0.06 0.20 0.12 -0.55 8.40 8.24 1hn9A1 ALA 90 HA 0.04 0.08 0.37 -0.75 4.34 4.08 1hn9A1 ALA 90 HB3 0.05 0.01 -0.03 -0.04 1.41 1.40 1hn9A1 ALA 91 H 0.04 0.06 -0.30 -0.55 8.40 7.64 1hn9A1 ALA 91 HA 0.01 0.11 0.25 -0.75 4.34 3.96 1hn9A1 ALA 91 HB3 -0.01 0.04 -0.21 -0.04 1.41 1.19 1hn9A1 CYS 92 H 0.04 0.01 -0.41 -0.55 8.50 7.59 1hn9A1 CYS 92 HA 0.01 0.14 0.32 -0.75 4.58 4.30 1hn9A1 CYS 92 HB2 0.03 0.00 0.02 -0.04 2.97 2.98 1hn9A1 CYS 92 HB3 0.01 0.06 -0.06 -0.04 2.97 2.93 1hn9A1 GLN 93 H 0.01 0.38 -0.32 -0.55 8.47 7.98 1hn9A1 GLN 93 HA -0.04 0.09 0.38 -0.75 4.36 4.03 1hn9A1 GLN 93 HB2 -0.00 -0.03 0.09 -0.04 2.15 2.16 1hn9A1 GLN 93 HB3 -0.04 -0.03 -0.04 -0.04 2.02 1.88 1hn9A1 GLN 93 HG2 -0.07 0.03 -0.08 -0.04 2.40 2.24 1hn9A1 GLN 93 HG3 -0.02 0.18 -0.18 -0.04 2.39 2.33 1hn9A1 GLN 93 HE21 -0.04 -0.07 -0.09 -0.04 6.97 6.73 1hn9A1 GLN 93 HE22 -0.27 0.06 -0.08 -0.04 7.69 7.36 1hn9A1 ILE 94 H 0.01 0.59 -0.16 -0.55 8.25 8.14 1hn9A1 ILE 94 HA -0.00 0.01 0.33 -0.75 4.18 3.77 1hn9A1 ILE 94 HB 0.04 0.08 0.06 -0.04 1.89 2.03 1hn9A1 ILE 94 HG12 0.10 0.12 -0.02 -0.04 1.49 1.64 1hn9A1 ILE 94 HG13 0.04 0.01 0.01 -0.04 1.21 1.24 1hn9A1 ILE 94 HG23 0.13 0.00 -0.24 -0.04 0.93 0.79 1hn9A1 ILE 94 HD13 0.07 -0.02 -0.21 -0.04 0.88 0.67 1hn9A1 GLN 95 H 0.01 0.55 -0.24 -0.55 8.47 8.24 1hn9A1 GLN 95 HA 0.02 0.02 0.28 -0.75 4.36 3.93 1hn9A1 GLN 95 HB2 0.01 -0.00 -0.00 -0.04 2.15 2.11 1hn9A1 GLN 95 HB3 -0.00 0.08 0.06 -0.04 2.02 2.12 1hn9A1 GLN 95 HG2 0.00 0.31 -0.14 -0.04 2.40 2.53 1hn9A1 GLN 95 HG3 0.01 -0.05 -0.16 -0.04 2.39 2.15 1hn9A1 GLN 95 HE21 0.01 0.06 -0.18 -0.04 6.97 6.82 1hn9A1 GLN 95 HE22 0.01 -0.05 -0.28 -0.04 7.69 7.33 1hn9A1 SER 96 H -0.03 0.41 -0.28 -0.55 8.46 8.00 1hn9A1 SER 96 HA -0.04 0.07 0.45 -0.75 4.49 4.22 1hn9A1 SER 96 HB2 -0.04 -0.00 0.10 -0.04 3.95 3.96 1hn9A1 SER 96 HB3 -0.07 0.08 0.15 -0.04 3.93 4.05 1hn9A1 MET 97 H -0.15 0.51 -0.10 -0.55 8.47 8.19 1hn9A1 MET 97 HA -0.33 0.01 0.37 -0.75 4.52 3.82 1hn9A1 MET 97 HB2 -0.57 0.08 0.08 -0.04 2.15 1.69 1hn9A1 MET 97 HB3 -1.60 -0.05 0.01 -0.04 2.03 0.35 1hn9A1 MET 97 HG2 -0.34 -0.04 -0.02 -0.04 2.63 2.19 1hn9A1 MET 97 HG3 -0.22 0.38 0.04 -0.04 2.56 2.72 1hn9A1 MET 97 HE3 -0.08 -0.05 -0.18 -0.04 2.10 1.75 1hn9A1 LEU 98 H -0.02 0.47 -0.37 -0.55 8.37 7.90 1hn9A1 LEU 98 HA 0.29 0.01 0.44 -0.75 4.35 4.34 1hn9A1 LEU 98 HB2 0.06 0.11 0.07 -0.04 1.64 1.85 1hn9A1 LEU 98 HB3 0.08 -0.06 -0.01 -0.04 1.64 1.61 1hn9A1 LEU 98 HG 0.30 0.06 -0.06 -0.04 1.64 1.90 1hn9A1 LEU 98 HD13 0.08 -0.04 -0.18 -0.04 0.93 0.75 1hn9A1 LEU 98 HD23 0.18 -0.01 -0.07 -0.04 0.89 0.94 1hn9A1 GLY 99 H -0.03 0.43 -0.55 -0.55 8.43 7.73 1hn9A1 GLY 99 HA2 -0.01 0.01 0.29 -0.51 4.01 3.79 1hn9A1 GLY 99 HA3 0.01 -0.01 0.39 -0.51 4.01 3.89 1hn9A1 ILE 100 H 0.01 0.45 -0.08 -0.55 8.25 8.08 1hn9A1 ILE 100 HA 0.01 0.18 0.88 -0.75 4.18 4.49 1hn9A1 ILE 100 HB 0.01 0.02 -0.01 -0.04 1.89 1.87 1hn9A1 ILE 100 HG12 0.02 0.01 -0.09 -0.04 1.49 1.40 1hn9A1 ILE 100 HG13 0.01 -0.07 -0.27 -0.04 1.21 0.84 1hn9A1 ILE 100 HG23 0.02 0.07 -0.40 -0.04 0.93 0.58 1hn9A1 ILE 100 HD13 0.02 0.00 -0.12 -0.04 0.88 0.74 1hn9A1 LYS 101 H 0.00 0.28 0.15 -0.55 8.42 8.31 1hn9A1 LYS 101 HA 0.00 0.14 0.70 -0.75 4.32 4.41 1hn9A1 LYS 101 HB2 -0.00 -0.04 0.03 -0.04 1.87 1.82 1hn9A1 LYS 101 HB3 -0.00 0.06 -0.24 -0.04 1.79 1.56 1hn9A1 LYS 101 HG2 0.00 -0.01 -0.01 -0.04 1.46 1.40 1hn9A1 LYS 101 HG3 -0.00 0.02 -0.17 -0.04 1.46 1.27 1hn9A1 LYS 101 HD2 -0.00 0.00 -0.07 -0.04 1.69 1.58 1hn9A1 LYS 101 HD3 -0.00 -0.02 -0.07 -0.04 1.68 1.54 1hn9A1 LYS 101 HE2 -0.01 0.02 -0.21 -0.04 2.99 2.75 1hn9A1 LYS 101 HE3 -0.00 0.04 -0.14 -0.04 2.99 2.84 1hn9A1 GLY 102 H 0.00 0.15 0.02 -0.55 8.43 8.05 1hn9A1 GLY 102 HA2 0.00 -0.03 0.34 -0.51 4.01 3.81 1hn9A1 GLY 102 HA3 0.00 0.23 0.82 -0.51 4.01 4.55 1hn9A1 CYS 103 H 0.01 0.14 -0.34 -0.55 8.50 7.76 1hn9A1 CYS 103 HA -0.00 0.13 0.34 -0.75 4.58 4.29 1hn9A1 CYS 103 HB2 -0.00 0.08 -0.36 -0.04 2.97 2.65 1hn9A1 CYS 103 HB3 0.01 0.16 0.00 -0.04 2.97 3.10 1hn9A1 PRO 104 HA 0.03 0.03 0.51 -0.51 4.44 4.50 1hn9A1 PRO 104 HB2 0.07 -0.05 -0.01 -0.04 2.28 2.25 1hn9A1 PRO 104 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 1hn9A1 PRO 104 HG2 -0.07 -0.04 0.20 -0.04 2.03 2.08 1hn9A1 PRO 104 HG3 -0.09 0.05 0.11 -0.04 2.03 2.06 1hn9A1 PRO 104 HD2 -0.02 0.33 0.23 -0.04 3.68 4.17 1hn9A1 PRO 104 HD3 -0.02 0.13 0.18 -0.04 3.65 3.91 1hn9A1 ALA 105 H 0.11 0.22 0.15 -0.55 8.40 8.33 1hn9A1 ALA 105 HA 0.01 0.33 0.82 -0.75 4.34 4.75 1hn9A1 ALA 105 HB3 0.03 -0.02 -0.22 -0.04 1.41 1.15 1hn9A1 PHE 106 H -0.17 0.64 0.33 -0.55 8.34 8.58 1hn9A1 PHE 106 HA 0.01 -0.01 0.63 -0.75 4.62 4.50 1hn9A1 PHE 106 HB2 0.01 0.01 0.17 -0.04 3.15 3.30 1hn9A1 PHE 106 HB3 -0.00 0.12 -0.09 -0.04 3.06 3.04 1hn9A1 PHE 106 HD2 -0.01 0.07 -0.28 -0.04 7.28 7.01 1hn9A1 PHE 106 HE2 -0.04 0.02 -0.15 -0.04 7.38 7.17 1hn9A1 PHE 106 HZ 0.08 0.03 -0.13 -0.04 7.32 7.26 1hn9A1 ASP 107 H 0.22 0.19 0.25 -0.55 8.40 8.51 1hn9A1 ASP 107 HA -0.01 0.23 1.06 -0.75 4.63 5.16 1hn9A1 ASP 107 HB2 0.10 0.06 0.17 -0.04 2.71 3.00 1hn9A1 ASP 107 HB3 0.06 0.10 0.11 -0.04 2.70 2.93 1hn9A1 VAL 108 H 0.03 0.60 0.44 -0.55 8.24 8.76 1hn9A1 VAL 108 HA 0.13 0.19 0.92 -0.75 4.13 4.62 1hn9A1 VAL 108 HB 0.03 -0.04 -0.00 -0.04 2.12 2.07 1hn9A1 VAL 108 HG13 0.08 -0.03 -0.30 -0.04 0.97 0.68 1hn9A1 VAL 108 HG23 0.21 0.03 -0.22 -0.04 0.95 0.92 1hn9A1 ALA 109 H 0.03 0.27 0.13 -0.55 8.40 8.28 1hn9A1 ALA 109 HA -0.01 0.12 1.06 -0.75 4.34 4.77 1hn9A1 ALA 109 HB3 0.00 0.03 0.12 -0.04 1.41 1.51 1hn9A1 ALA 110 H -0.06 0.15 0.00 -0.55 8.40 7.94 1hn9A1 ALA 110 HA -0.24 0.24 0.42 -0.75 4.34 4.01 1hn9A1 ALA 110 HB3 -0.62 0.02 -0.16 -0.04 1.41 0.61 1hn9A1 ALA 111 H -0.04 0.16 0.00 -0.55 8.40 7.97 1hn9A1 ALA 111 HA 0.00 0.06 0.30 -0.75 4.34 3.95 1hn9A1 ALA 111 HB3 0.01 0.07 0.03 -0.04 1.41 1.47 1hn9A1 CYS 112 H 0.01 0.06 0.23 -0.55 8.50 8.25 1hn9A1 CYS 112 HA -0.00 -0.09 0.29 -0.75 4.58 4.02 1hn9A1 CYS 112 HB2 -0.10 0.14 0.28 -0.04 2.97 3.24 1hn9A1 CYS 112 HB3 -0.73 0.05 0.09 -0.04 2.97 2.33 1hn9A1 ALA 113 H -0.05 0.30 -0.36 -0.55 8.40 7.74 1hn9A1 ALA 113 HA 0.06 0.06 0.38 -0.75 4.34 4.08 1hn9A1 ALA 113 HB3 0.12 0.04 -0.29 -0.04 1.41 1.24 1hn9A1 GLY 114 H 0.03 0.46 -0.70 -0.55 8.43 7.67 1hn9A1 GLY 114 HA2 0.03 -0.00 0.13 -0.51 4.01 3.66 1hn9A1 GLY 114 HA3 0.07 0.04 0.12 -0.51 4.01 3.73 1hn9A1 PHE 115 H 0.26 0.18 -0.25 -0.55 8.34 7.98 1hn9A1 PHE 115 HA 0.07 0.07 0.37 -0.75 4.62 4.38 1hn9A1 PHE 115 HB2 0.08 0.27 0.15 -0.04 3.15 3.61 1hn9A1 PHE 115 HB3 0.10 -0.04 -0.01 -0.04 3.06 3.06 1hn9A1 PHE 115 HD2 0.07 -0.02 -0.28 -0.04 7.28 7.01 1hn9A1 PHE 115 HE2 0.06 0.09 -0.28 -0.04 7.38 7.21 1hn9A1 PHE 115 HZ 0.06 0.08 -0.17 -0.04 7.32 7.24 1hn9A1 THR 116 H 0.23 0.15 -0.30 -0.55 8.28 7.81 1hn9A1 THR 116 HA 0.02 0.08 0.20 -0.75 4.39 3.94 1hn9A1 THR 116 HB 0.06 0.04 -0.18 -0.04 4.32 4.21 1hn9A1 THR 116 HG23 0.20 0.02 -0.28 -0.04 1.22 1.12 1hn9A1 TYR 117 H 0.27 0.33 -0.38 -0.55 8.29 7.96 1hn9A1 TYR 117 HA -0.04 0.09 0.36 -0.75 4.56 4.22 1hn9A1 TYR 117 HB2 -0.01 0.02 -0.02 -0.04 3.06 3.01 1hn9A1 TYR 117 HB3 -0.01 -0.01 -0.18 -0.04 2.98 2.74 1hn9A1 TYR 117 HD2 -0.01 0.05 -0.17 -0.04 7.15 6.99 1hn9A1 TYR 117 HE2 -0.06 0.00 -0.11 -0.04 6.85 6.64 1hn9A1 ALA 118 H 0.03 0.59 -0.07 -0.55 8.40 8.41 1hn9A1 ALA 118 HA -0.02 -0.00 0.28 -0.75 4.34 3.84 1hn9A1 ALA 118 HB3 -0.12 -0.00 -0.04 -0.04 1.41 1.21 1hn9A1 LEU 119 H -0.35 0.72 -0.29 -0.55 8.37 7.90 1hn9A1 LEU 119 HA -0.26 0.01 0.28 -0.75 4.35 3.62 1hn9A1 LEU 119 HB2 -0.80 -0.00 -0.05 -0.04 1.64 0.75 1hn9A1 LEU 119 HB3 -0.23 0.06 0.00 -0.04 1.64 1.42 1hn9A1 LEU 119 HG -0.08 0.01 -0.28 -0.04 1.64 1.25 1hn9A1 LEU 119 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.69 1hn9A1 LEU 119 HD23 0.06 -0.01 -0.16 -0.04 0.89 0.74 1hn9A1 SER 120 H -0.13 0.50 -0.23 -0.55 8.46 8.06 1hn9A1 SER 120 HA -0.09 0.02 0.34 -0.75 4.49 4.01 1hn9A1 SER 120 HB2 -0.16 0.02 0.07 -0.04 3.95 3.84 1hn9A1 SER 120 HB3 -0.16 0.12 0.13 -0.04 3.93 3.98 1hn9A1 VAL 121 H -0.03 0.55 -0.21 -0.55 8.24 8.00 1hn9A1 VAL 121 HA 0.03 0.03 0.35 -0.75 4.13 3.79 1hn9A1 VAL 121 HB 0.09 0.05 0.07 -0.04 2.12 2.28 1hn9A1 VAL 121 HG13 0.41 -0.01 -0.19 -0.04 0.97 1.13 1hn9A1 VAL 121 HG23 0.13 0.03 -0.06 -0.04 0.95 1.00 1hn9A1 ALA 122 H 0.01 0.59 -0.16 -0.55 8.40 8.29 1hn9A1 ALA 122 HA 0.19 -0.00 0.28 -0.75 4.34 4.05 1hn9A1 ALA 122 HB3 -0.02 0.00 -0.05 -0.04 1.41 1.30 1hn9A1 ASP 123 H -0.01 0.55 -0.32 -0.55 8.40 8.07 1hn9A1 ASP 123 HA 0.00 -0.03 0.29 -0.75 4.63 4.14 1hn9A1 ASP 123 HB2 -0.03 0.02 0.02 -0.04 2.71 2.68 1hn9A1 ASP 123 HB3 -0.05 0.16 0.09 -0.04 2.70 2.87 1hn9A1 GLN 124 H -0.03 0.44 -0.29 -0.55 8.47 8.05 1hn9A1 GLN 124 HA -0.10 0.06 0.38 -0.75 4.36 3.95 1hn9A1 GLN 124 HB2 -0.23 0.07 0.07 -0.04 2.15 2.02 1hn9A1 GLN 124 HB3 -0.19 -0.05 0.03 -0.04 2.02 1.77 1hn9A1 GLN 124 HG2 -0.07 0.26 0.13 -0.04 2.40 2.68 1hn9A1 GLN 124 HG3 -0.12 -0.10 0.01 -0.04 2.39 2.14 1hn9A1 GLN 124 HE21 -0.10 0.02 -0.02 -0.04 6.97 6.83 1hn9A1 GLN 124 HE22 -0.12 -0.01 0.02 -0.04 7.69 7.54 1hn9A1 TYR 125 H 0.14 0.31 -0.24 -0.55 8.29 7.94 1hn9A1 TYR 125 HA -0.02 0.03 0.40 -0.75 4.56 4.22 1hn9A1 TYR 125 HB2 0.01 0.08 0.03 -0.04 3.06 3.14 1hn9A1 TYR 125 HB3 0.01 -0.03 -0.12 -0.04 2.98 2.80 1hn9A1 TYR 125 HD2 0.03 0.08 -0.07 -0.04 7.15 7.15 1hn9A1 TYR 125 HE2 0.07 -0.04 -0.07 -0.04 6.85 6.77 1hn9A1 VAL 126 H 0.07 0.45 -0.23 -0.55 8.24 7.98 1hn9A1 VAL 126 HA 0.02 0.26 0.52 -0.75 4.13 4.18 1hn9A1 VAL 126 HB 0.01 -0.01 -0.04 -0.04 2.12 2.04 1hn9A1 VAL 126 HG13 -0.02 0.03 -0.28 -0.04 0.97 0.66 1hn9A1 VAL 126 HG23 0.03 0.02 -0.26 -0.04 0.95 0.69 1hn9A1 LYS 127 H -0.03 0.61 -0.13 -0.55 8.42 8.32 1hn9A1 LYS 127 HA -0.10 0.06 0.06 -0.75 4.32 3.59 1hn9A1 LYS 127 HB2 -0.09 0.03 0.15 -0.04 1.87 1.92 1hn9A1 LYS 127 HB3 -0.14 0.01 -0.13 -0.04 1.79 1.50 1hn9A1 LYS 127 HG2 -0.17 0.16 0.05 -0.04 1.46 1.46 1hn9A1 LYS 127 HG3 -0.06 -0.08 -0.02 -0.04 1.46 1.26 1hn9A1 LYS 127 HD2 -0.07 -0.13 -0.16 -0.04 1.69 1.29 1hn9A1 LYS 127 HD3 -0.11 -0.03 -0.04 -0.04 1.68 1.46 1hn9A1 LYS 127 HE2 -0.17 0.09 0.04 -0.04 2.99 2.91 1hn9A1 LYS 127 HE3 -0.03 0.03 0.02 -0.04 2.99 2.97 1hn9A1 SER 128 H -0.07 0.39 -0.22 -0.55 8.46 8.02 1hn9A1 SER 128 HA -0.08 0.11 0.46 -0.75 4.49 4.23 1hn9A1 SER 128 HB2 -0.07 -0.07 0.14 -0.04 3.95 3.91 1hn9A1 SER 128 HB3 -0.10 0.05 0.13 -0.04 3.93 3.97 1hn9A1 GLY 129 H -0.04 0.37 -0.80 -0.55 8.43 7.41 1hn9A1 GLY 129 HA2 -0.04 0.07 0.22 -0.51 4.01 3.75 1hn9A1 GLY 129 HA3 -0.03 0.09 0.53 -0.51 4.01 4.09 1hn9A1 ALA 130 H 0.02 0.13 -0.34 -0.55 8.40 7.67 1hn9A1 ALA 130 HA 0.02 0.05 0.39 -0.75 4.34 4.05 1hn9A1 ALA 130 HB3 0.12 -0.01 0.04 -0.04 1.41 1.51 1hn9A1 VAL 131 H 0.04 0.44 -0.16 -0.55 8.24 8.01 1hn9A1 VAL 131 HA 0.01 0.16 0.94 -0.75 4.13 4.48 1hn9A1 VAL 131 HB 0.06 -0.05 -0.34 -0.04 2.12 1.75 1hn9A1 VAL 131 HG13 0.01 -0.06 -0.41 -0.04 0.97 0.47 1hn9A1 VAL 131 HG23 0.00 -0.00 -0.27 -0.04 0.95 0.64 1hn9A1 LYS 132 H -0.04 0.15 0.12 -0.55 8.42 8.10 1hn9A1 LYS 132 HA -0.18 0.14 0.49 -0.75 4.32 4.02 1hn9A1 LYS 132 HB2 -0.12 0.04 0.11 -0.04 1.87 1.85 1hn9A1 LYS 132 HB3 -0.18 0.02 0.15 -0.04 1.79 1.75 1hn9A1 LYS 132 HG2 -1.05 -0.02 -0.08 -0.04 1.46 0.27 1hn9A1 LYS 132 HG3 -0.31 0.01 0.08 -0.04 1.46 1.21 1hn9A1 LYS 132 HD2 -0.09 0.01 0.03 -0.04 1.69 1.60 1hn9A1 LYS 132 HD3 -0.13 -0.01 0.00 -0.04 1.68 1.50 1hn9A1 LYS 132 HE2 -0.09 0.01 0.01 -0.04 2.99 2.88 1hn9A1 LYS 132 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 1hn9A1 TYR 133 H 0.04 0.12 0.13 -0.55 8.29 8.03 1hn9A1 TYR 133 HA 0.01 0.47 1.04 -0.75 4.56 5.33 1hn9A1 TYR 133 HB2 0.01 0.05 0.01 -0.04 3.06 3.09 1hn9A1 TYR 133 HB3 0.01 -0.01 -0.06 -0.04 2.98 2.87 1hn9A1 TYR 133 HD2 0.01 0.14 -0.01 -0.04 7.15 7.25 1hn9A1 TYR 133 HE2 0.01 0.01 -0.03 -0.04 6.85 6.80 1hn9A1 ALA 134 H 0.13 0.60 0.28 -0.55 8.40 8.86 1hn9A1 ALA 134 HA 0.04 0.17 1.02 -0.75 4.34 4.83 1hn9A1 ALA 134 HB3 0.02 -0.00 -0.15 -0.04 1.41 1.24 1hn9A1 LEU 135 H 0.01 0.73 0.35 -0.55 8.37 8.92 1hn9A1 LEU 135 HA 0.04 0.25 1.00 -0.75 4.35 4.89 1hn9A1 LEU 135 HB2 0.02 0.03 -0.00 -0.04 1.64 1.65 1hn9A1 LEU 135 HB3 0.01 -0.00 0.21 -0.04 1.64 1.82 1hn9A1 LEU 135 HG 0.03 -0.09 -0.37 -0.04 1.64 1.16 1hn9A1 LEU 135 HD13 0.03 0.04 -0.09 -0.04 0.93 0.87 1hn9A1 LEU 135 HD23 0.03 -0.01 -0.13 -0.04 0.89 0.74 1hn9A1 VAL 136 H 0.07 0.78 0.34 -0.55 8.24 8.88 1hn9A1 VAL 136 HA -0.01 0.22 1.05 -0.75 4.13 4.63 1hn9A1 VAL 136 HB 0.07 -0.02 0.06 -0.04 2.12 2.20 1hn9A1 VAL 136 HG13 -0.24 -0.02 -0.25 -0.04 0.97 0.41 1hn9A1 VAL 136 HG23 -0.06 0.01 -0.27 -0.04 0.95 0.59 1hn9A1 VAL 137 H 0.05 0.66 0.40 -0.55 8.24 8.81 1hn9A1 VAL 137 HA 0.18 0.32 1.18 -0.75 4.13 5.05 1hn9A1 VAL 137 HB 0.06 -0.11 0.05 -0.04 2.12 2.08 1hn9A1 VAL 137 HG13 0.08 -0.02 -0.20 -0.04 0.97 0.79 1hn9A1 VAL 137 HG23 0.06 0.02 -0.25 -0.04 0.95 0.74 1hn9A1 GLY 138 H 0.14 0.82 0.34 -0.55 8.43 9.18 1hn9A1 GLY 138 HA2 0.20 0.14 0.89 -0.51 4.01 4.73 1hn9A1 GLY 138 HA3 0.21 0.18 0.26 -0.51 4.01 4.15 1hn9A1 SER 139 H 0.09 0.64 0.22 -0.55 8.46 8.87 1hn9A1 SER 139 HA 0.07 0.26 1.03 -0.75 4.49 5.10 1hn9A1 SER 139 HB2 0.07 0.04 -0.18 -0.04 3.95 3.84 1hn9A1 SER 139 HB3 0.07 -0.08 0.02 -0.04 3.93 3.90 1hn9A1 ASP 140 H 0.07 0.67 0.41 -0.55 8.40 9.01 1hn9A1 ASP 140 HA 0.05 0.04 0.80 -0.75 4.63 4.77 1hn9A1 ASP 140 HB2 0.09 0.12 0.03 -0.04 2.71 2.91 1hn9A1 ASP 140 HB3 0.06 -0.05 0.03 -0.04 2.70 2.70 1hn9A1 VAL 141 H 0.03 0.19 0.09 -0.55 8.24 8.01 1hn9A1 VAL 141 HA 0.05 0.18 0.94 -0.75 4.13 4.55 1hn9A1 VAL 141 HB 0.04 0.04 0.21 -0.04 2.12 2.38 1hn9A1 VAL 141 HG13 0.05 -0.00 -0.15 -0.04 0.97 0.83 1hn9A1 VAL 141 HG23 0.03 0.02 0.08 -0.04 0.95 1.04 1hn9A1 LEU 142 H 0.05 0.20 -0.15 -0.55 8.37 7.92 1hn9A1 LEU 142 HA -0.06 0.11 0.31 -0.75 4.35 3.95 1hn9A1 LEU 142 HB2 0.00 0.15 0.04 -0.04 1.64 1.79 1hn9A1 LEU 142 HB3 -0.49 0.06 0.03 -0.04 1.64 1.20 1hn9A1 LEU 142 HG 0.02 -0.07 -0.04 -0.04 1.64 1.51 1hn9A1 LEU 142 HD13 -0.19 0.01 -0.02 -0.04 0.93 0.68 1hn9A1 LEU 142 HD23 -0.05 -0.03 -0.09 -0.04 0.89 0.67 1hn9A1 ALA 143 H 0.08 0.12 -0.49 -0.55 8.40 7.57 1hn9A1 ALA 143 HA 0.12 0.11 0.32 -0.75 4.34 4.14 1hn9A1 ALA 143 HB3 0.09 0.02 -0.18 -0.04 1.41 1.31 1hn9A1 ARG 144 H 0.04 0.12 -0.31 -0.55 8.46 7.75 1hn9A1 ARG 144 HA 0.04 0.10 0.39 -0.75 4.34 4.11 1hn9A1 ARG 144 HB2 0.03 -0.13 0.11 -0.04 1.90 1.88 1hn9A1 ARG 144 HB3 0.02 0.15 0.11 -0.04 1.80 2.04 1hn9A1 ARG 144 HG2 0.02 0.03 0.01 -0.04 1.67 1.69 1hn9A1 ARG 144 HG3 0.03 0.02 0.07 -0.04 1.67 1.75 1hn9A1 ARG 144 HD2 0.02 -0.07 0.03 -0.04 3.22 3.16 1hn9A1 ARG 144 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 1hn9A1 THR 145 H -0.00 0.16 -0.53 -0.55 8.28 7.36 1hn9A1 THR 145 HA 0.05 0.21 0.77 -0.75 4.39 4.66 1hn9A1 THR 145 HB -0.01 0.07 0.18 -0.04 4.32 4.52 1hn9A1 THR 145 HG23 -0.02 0.01 -0.05 -0.04 1.22 1.12 1hn9A1 CYS 146 H 0.02 0.36 -0.28 -0.55 8.50 8.06 1hn9A1 CYS 146 HA -0.00 -0.01 0.73 -0.75 4.58 4.54 1hn9A1 CYS 146 HB2 0.04 0.19 0.02 -0.04 2.97 3.18 1hn9A1 CYS 146 HB3 0.03 -0.04 -0.10 -0.04 2.97 2.81 1hn9A1 ASP 147 H -0.16 0.12 0.20 -0.55 8.40 8.02 1hn9A1 ASP 147 HA -0.86 0.18 0.58 -0.75 4.63 3.78 1hn9A1 ASP 147 HB2 -0.64 0.07 0.17 -0.04 2.71 2.26 1hn9A1 ASP 147 HB3 -0.19 -0.08 0.26 -0.04 2.70 2.64 1hn9A1 PRO 148 HA -0.02 0.09 0.35 -0.51 4.44 4.35 1hn9A1 PRO 148 HB2 -0.01 0.05 0.06 -0.04 2.28 2.33 1hn9A1 PRO 148 HB3 -0.00 0.07 0.09 -0.04 2.02 2.13 1hn9A1 PRO 148 HG2 -0.02 0.00 0.02 -0.04 2.03 1.99 1hn9A1 PRO 148 HG3 0.00 0.06 0.07 -0.04 2.03 2.12 1hn9A1 PRO 148 HD2 -0.13 0.00 0.24 -0.04 3.68 3.75 1hn9A1 PRO 148 HD3 -0.05 0.34 0.26 -0.04 3.65 4.17 1hn9A1 THR 149 H -0.08 0.00 -0.55 -0.55 8.28 7.11 1hn9A1 THR 149 HA -0.02 0.36 0.83 -0.75 4.39 4.81 1hn9A1 THR 149 HB -0.02 0.01 0.17 -0.04 4.32 4.45 1hn9A1 THR 149 HG23 -0.01 0.02 -0.04 -0.04 1.22 1.14 1hn9A1 ASP 150 H -0.04 0.59 -0.16 -0.55 8.40 8.25 1hn9A1 ASP 150 HA -0.00 0.15 0.89 -0.75 4.63 4.92 1hn9A1 ASP 150 HB2 -0.02 0.04 0.11 -0.04 2.71 2.80 1hn9A1 ASP 150 HB3 -0.01 0.06 0.28 -0.04 2.70 3.00 1hn9A1 ARG 151 H 0.00 0.27 0.10 -0.55 8.46 8.29 1hn9A1 ARG 151 HA 0.04 0.12 0.21 -0.75 4.34 3.95 1hn9A1 ARG 151 HB2 -0.03 0.06 0.06 -0.04 1.90 1.96 1hn9A1 ARG 151 HB3 -0.00 -0.05 0.11 -0.04 1.80 1.82 1hn9A1 ARG 151 HG2 0.14 -0.02 -0.30 -0.04 1.67 1.45 1hn9A1 ARG 151 HG3 0.06 0.01 -0.11 -0.04 1.67 1.59 1hn9A1 ARG 151 HD2 -0.39 -0.05 -0.08 -0.04 3.22 2.67 1hn9A1 ARG 151 HD3 -0.21 0.17 -0.10 -0.04 3.22 3.03 1hn9A1 GLY 152 H 0.07 0.10 -0.09 -0.55 8.43 7.96 1hn9A1 GLY 152 HA2 0.13 0.06 0.31 -0.51 4.01 4.00 1hn9A1 GLY 152 HA3 0.10 0.01 0.32 -0.51 4.01 3.93 1hn9A1 THR 153 H 0.10 0.25 -0.40 -0.55 8.28 7.68 1hn9A1 THR 153 HA 0.21 0.21 1.13 -0.75 4.39 5.19 1hn9A1 THR 153 HB 0.30 -0.01 -0.01 -0.04 4.32 4.56 1hn9A1 THR 153 HG23 0.20 -0.01 -0.20 -0.04 1.22 1.16 1hn9A1 ILE 154 H 0.09 0.52 0.14 -0.55 8.25 8.45 1hn9A1 ILE 154 HA 0.12 0.05 0.31 -0.75 4.18 3.91 1hn9A1 ILE 154 HB 0.04 0.08 0.02 -0.04 1.89 1.98 1hn9A1 ILE 154 HG12 0.02 0.08 -0.04 -0.04 1.49 1.51 1hn9A1 ILE 154 HG13 0.05 -0.01 -0.02 -0.04 1.21 1.19 1hn9A1 ILE 154 HG23 0.04 0.03 -0.26 -0.04 0.93 0.70 1hn9A1 ILE 154 HD13 0.04 -0.02 -0.13 -0.04 0.88 0.73 1hn9A1 ILE 155 H 0.08 0.30 -0.34 -0.55 8.25 7.74 1hn9A1 ILE 155 HA 0.05 0.15 0.46 -0.75 4.18 4.09 1hn9A1 ILE 155 HB 0.07 -0.05 -0.00 -0.04 1.89 1.87 1hn9A1 ILE 155 HG12 0.10 0.18 -0.08 -0.04 1.49 1.65 1hn9A1 ILE 155 HG13 0.03 0.01 -0.31 -0.04 1.21 0.90 1hn9A1 ILE 155 HG23 0.13 -0.00 -0.08 -0.04 0.93 0.93 1hn9A1 ILE 155 HD13 0.24 -0.04 -0.10 -0.04 0.88 0.93 1hn9A1 ILE 156 H 0.01 0.24 -0.38 -0.55 8.25 7.58 1hn9A1 ILE 156 HA -0.13 0.09 0.56 -0.75 4.18 3.95 1hn9A1 ILE 156 HB -0.37 0.10 0.23 -0.04 1.89 1.81 1hn9A1 ILE 156 HG12 -0.05 0.03 -0.01 -0.04 1.49 1.43 1hn9A1 ILE 156 HG13 -0.14 -0.05 0.09 -0.04 1.21 1.08 1hn9A1 ILE 156 HG23 -0.80 -0.01 -0.08 -0.04 0.93 0.00 1hn9A1 ILE 156 HD13 -0.12 0.02 -0.03 -0.04 0.88 0.71 1hn9A1 PHE 157 H 0.11 0.34 0.09 -0.55 8.34 8.32 1hn9A1 PHE 157 HA 0.05 0.13 0.77 -0.75 4.62 4.83 1hn9A1 PHE 157 HB2 0.05 0.05 -0.05 -0.04 3.15 3.16 1hn9A1 PHE 157 HB3 0.06 -0.09 -0.09 -0.04 3.06 2.89 1hn9A1 PHE 157 HD2 0.07 0.17 0.06 -0.04 7.28 7.54 1hn9A1 PHE 157 HE2 0.10 -0.08 0.00 -0.04 7.38 7.36 1hn9A1 PHE 157 HZ 0.10 -0.05 -0.01 -0.04 7.32 7.32 1hn9A1 GLY 158 H 0.21 0.50 0.21 -0.55 8.43 8.81 1hn9A1 GLY 158 HA2 0.10 0.20 0.71 -0.51 4.01 4.52 1hn9A1 GLY 158 HA3 0.10 0.16 0.34 -0.51 4.01 4.09 1hn9A1 ASP 159 H 0.08 0.87 0.37 -0.55 8.40 9.17 1hn9A1 ASP 159 HA 0.07 0.11 1.06 -0.75 4.63 5.12 1hn9A1 ASP 159 HB2 0.05 0.01 0.02 -0.04 2.71 2.76 1hn9A1 ASP 159 HB3 0.06 0.01 0.22 -0.04 2.70 2.95 1hn9A1 GLY 160 H 0.04 0.45 0.43 -0.55 8.43 8.80 1hn9A1 GLY 160 HA2 -0.06 0.09 0.48 -0.51 4.01 4.01 1hn9A1 GLY 160 HA3 -0.10 0.14 0.63 -0.51 4.01 4.17 1hn9A1 ALA 161 H -0.03 0.59 0.36 -0.55 8.40 8.77 1hn9A1 ALA 161 HA 0.03 0.17 1.00 -0.75 4.34 4.78 1hn9A1 ALA 161 HB3 0.09 0.01 -0.18 -0.04 1.41 1.28 1hn9A1 GLY 162 H -0.00 0.66 0.46 -0.55 8.43 9.00 1hn9A1 GLY 162 HA2 -0.04 0.27 1.06 -0.51 4.01 4.80 1hn9A1 GLY 162 HA3 -0.11 -0.05 0.26 -0.51 4.01 3.60 1hn9A1 ALA 163 H -0.02 0.73 0.39 -0.55 8.40 8.95 1hn9A1 ALA 163 HA 0.12 0.22 0.98 -0.75 4.34 4.91 1hn9A1 ALA 163 HB3 0.04 0.01 -0.29 -0.04 1.41 1.13 1hn9A1 ALA 164 H 0.17 0.61 0.39 -0.55 8.40 9.02 1hn9A1 ALA 164 HA 0.10 0.38 1.03 -0.75 4.34 5.10 1hn9A1 ALA 164 HB3 0.25 -0.02 -0.02 -0.04 1.41 1.58 1hn9A1 VAL 165 H 0.08 0.67 0.33 -0.55 8.24 8.77 1hn9A1 VAL 165 HA 0.06 0.23 1.07 -0.75 4.13 4.74 1hn9A1 VAL 165 HB 0.04 -0.02 0.06 -0.04 2.12 2.16 1hn9A1 VAL 165 HG13 0.05 0.01 -0.20 -0.04 0.97 0.79 1hn9A1 VAL 165 HG23 0.01 -0.03 -0.31 -0.04 0.95 0.58 1hn9A1 LEU 166 H 0.08 0.80 0.37 -0.55 8.37 9.07 1hn9A1 LEU 166 HA 0.06 0.25 0.93 -0.75 4.35 4.84 1hn9A1 LEU 166 HB2 0.05 -0.05 0.04 -0.04 1.64 1.64 1hn9A1 LEU 166 HB3 0.04 0.06 -0.11 -0.04 1.64 1.58 1hn9A1 LEU 166 HG 0.03 0.02 -0.20 -0.04 1.64 1.45 1hn9A1 LEU 166 HD13 0.07 0.01 -0.43 -0.04 0.93 0.53 1hn9A1 LEU 166 HD23 -0.00 -0.01 -0.23 -0.04 0.89 0.61 1hn9A1 ALA 167 H 0.05 0.48 0.37 -0.55 8.40 8.76 1hn9A1 ALA 167 HA -0.03 0.37 1.08 -0.75 4.34 5.01 1hn9A1 ALA 167 HB3 0.15 -0.00 -0.00 -0.04 1.41 1.52 1hn9A1 ALA 168 H -0.19 0.44 0.35 -0.55 8.40 8.45 1hn9A1 ALA 168 HA -0.03 0.22 0.58 -0.75 4.34 4.35 1hn9A1 ALA 168 HB3 -0.10 0.00 0.14 -0.04 1.41 1.42 1hn9A1 SER 169 H 0.02 0.70 0.34 -0.55 8.46 8.97 1hn9A1 SER 169 HA 0.02 0.07 0.75 -0.75 4.49 4.57 1hn9A1 SER 169 HB2 0.02 0.06 -0.17 -0.04 3.95 3.82 1hn9A1 SER 169 HB3 0.04 -0.05 -0.31 -0.04 3.93 3.57 1hn9A1 GLU 170 H 0.04 0.13 0.14 -0.55 8.60 8.36 1hn9A1 GLU 170 HA 0.09 0.13 0.54 -0.75 4.29 4.30 1hn9A1 GLU 170 HB2 0.03 -0.01 0.06 -0.04 2.09 2.13 1hn9A1 GLU 170 HB3 0.05 0.02 0.08 -0.04 1.99 2.10 1hn9A1 GLU 170 HG2 0.02 0.03 0.01 -0.04 2.34 2.36 1hn9A1 GLU 170 HG3 0.02 -0.01 0.08 -0.04 2.34 2.39 1hn9A1 GLU 171 H 0.03 0.07 -0.14 -0.55 8.60 8.02 1hn9A1 GLU 171 HA -0.22 0.27 0.84 -0.75 4.29 4.42 1hn9A1 GLU 171 HB2 -0.05 -0.08 -0.05 -0.04 2.09 1.87 1hn9A1 GLU 171 HB3 -0.14 0.13 0.00 -0.04 1.99 1.94 1hn9A1 GLU 171 HG2 -0.07 0.06 -0.04 -0.04 2.34 2.25 1hn9A1 GLU 171 HG3 -0.01 -0.10 -0.42 -0.04 2.34 1.77 1hn9A1 PRO 172 HA -0.08 0.01 0.45 -0.51 4.44 4.31 1hn9A1 PRO 172 HB2 -0.14 0.07 -0.39 -0.04 2.28 1.79 1hn9A1 PRO 172 HB3 -0.23 0.13 -0.20 -0.04 2.02 1.69 1hn9A1 PRO 172 HG2 -0.25 -0.00 0.05 -0.04 2.03 1.78 1hn9A1 PRO 172 HG3 -0.46 0.07 0.03 -0.04 2.03 1.62 1hn9A1 PRO 172 HD2 -0.48 0.06 0.19 -0.04 3.68 3.41 1hn9A1 PRO 172 HD3 -1.80 0.19 0.10 -0.04 3.65 2.10 1hn9A1 GLY 173 H -0.12 0.48 0.28 -0.55 8.43 8.53 1hn9A1 GLY 173 HA2 -0.15 -0.04 0.46 -0.51 4.01 3.76 1hn9A1 GLY 173 HA3 -0.05 0.20 0.46 -0.51 4.01 4.11 1hn9A1 ILE 174 H -0.02 0.66 0.31 -0.55 8.25 8.66 1hn9A1 ILE 174 HA -0.02 0.06 0.66 -0.75 4.18 4.13 1hn9A1 ILE 174 HB 0.02 0.00 0.16 -0.04 1.89 2.03 1hn9A1 ILE 174 HG12 -0.03 -0.04 -0.10 -0.04 1.49 1.28 1hn9A1 ILE 174 HG13 -0.04 0.10 -0.03 -0.04 1.21 1.20 1hn9A1 ILE 174 HG23 0.00 -0.03 -0.17 -0.04 0.93 0.69 1hn9A1 ILE 174 HD13 -0.01 -0.02 -0.14 -0.04 0.88 0.67 1hn9A1 ILE 175 H 0.01 0.62 0.51 -0.55 8.25 8.84 1hn9A1 ILE 175 HA 0.03 0.07 0.50 -0.75 4.18 4.01 1hn9A1 ILE 175 HB 0.04 -0.03 0.13 -0.04 1.89 1.99 1hn9A1 ILE 175 HG12 -0.06 0.02 -0.01 -0.04 1.49 1.40 1hn9A1 ILE 175 HG13 -0.03 0.08 0.01 -0.04 1.21 1.22 1hn9A1 ILE 175 HG23 0.03 -0.00 -0.05 -0.04 0.93 0.87 1hn9A1 ILE 175 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.70 1hn9A1 SER 176 H 0.05 0.27 0.21 -0.55 8.46 8.43 1hn9A1 SER 176 HA -0.04 0.13 0.35 -0.75 4.49 4.18 1hn9A1 SER 176 HB2 -0.15 -0.00 0.13 -0.04 3.95 3.88 1hn9A1 SER 176 HB3 0.04 0.23 -0.10 -0.04 3.93 4.06 1hn9A1 THR 177 H -0.25 0.33 0.22 -0.55 8.28 8.03 1hn9A1 THR 177 HA -0.00 0.19 0.89 -0.75 4.39 4.71 1hn9A1 THR 177 HB -0.10 0.04 0.15 -0.04 4.32 4.36 1hn9A1 THR 177 HG23 -0.05 -0.02 -0.14 -0.04 1.22 0.97 1hn9A1 HIS 178 H 0.03 0.52 0.29 -0.55 8.41 8.71 1hn9A1 HIS 178 HA -0.16 0.16 0.83 -0.75 4.63 4.71 1hn9A1 HIS 178 HB2 0.01 -0.07 0.00 -0.04 3.26 3.16 1hn9A1 HIS 178 HB3 -0.08 0.02 -0.04 -0.04 3.20 3.05 1hn9A1 HIS 178 HD2 0.02 -0.06 -0.42 -0.04 6.97 6.46 1hn9A1 HIS 178 HE1 0.01 0.05 -0.10 -0.04 7.75 7.67 1hn9A1 LEU 179 H -0.34 0.29 0.19 -0.55 8.37 7.96 1hn9A1 LEU 179 HA -0.33 0.22 1.11 -0.75 4.35 4.60 1hn9A1 LEU 179 HB2 -0.44 0.01 0.01 -0.04 1.64 1.18 1hn9A1 LEU 179 HB3 -0.94 -0.01 0.02 -0.04 1.64 0.68 1hn9A1 LEU 179 HG -0.36 -0.04 -0.30 -0.04 1.64 0.90 1hn9A1 LEU 179 HD13 -0.56 0.00 -0.08 -0.04 0.93 0.25 1hn9A1 LEU 179 HD23 -0.65 0.06 -0.19 -0.04 0.89 0.06 1hn9A1 HIS 180 H -0.38 0.66 0.42 -0.55 8.41 8.56 1hn9A1 HIS 180 HA -0.36 0.17 0.80 -0.75 4.63 4.49 1hn9A1 HIS 180 HB2 -1.72 -0.04 -0.07 -0.04 3.26 1.40 1hn9A1 HIS 180 HB3 -1.10 -0.01 0.01 -0.04 3.20 2.05 1hn9A1 HIS 180 HD2 0.06 -0.04 -0.25 -0.04 6.97 6.70 1hn9A1 HIS 180 HE1 0.03 0.02 -0.02 -0.04 7.75 7.73 1hn9A1 ALA 181 H -0.33 0.37 0.25 -0.55 8.40 8.14 1hn9A1 ALA 181 HA -0.36 0.12 0.63 -0.75 4.34 3.96 1hn9A1 ALA 181 HB3 -0.02 0.02 -0.01 -0.04 1.41 1.36 1hn9A1 ASP 182 H 0.31 0.63 0.05 -0.55 8.40 8.84 1hn9A1 ASP 182 HA 0.17 0.14 0.64 -0.75 4.63 4.82 1hn9A1 ASP 182 HB2 0.62 0.13 -0.08 -0.04 2.71 3.33 1hn9A1 ASP 182 HB3 0.79 -0.06 0.15 -0.04 2.70 3.53 1hn9A1 GLY 183 H 0.07 0.23 0.08 -0.55 8.43 8.26 1hn9A1 GLY 183 HA2 0.05 0.37 0.46 -0.51 4.01 4.39 1hn9A1 GLY 183 HA3 0.02 0.08 0.37 -0.51 4.01 3.98 1hn9A1 SER 184 H -0.03 0.10 -0.32 -0.55 8.46 7.66 1hn9A1 SER 184 HA -0.10 0.12 0.43 -0.75 4.49 4.18 1hn9A1 SER 184 HB2 -0.21 0.04 0.13 -0.04 3.95 3.87 1hn9A1 SER 184 HB3 -0.12 0.01 0.09 -0.04 3.93 3.87 1hn9A1 TYR 185 H -0.05 0.26 -0.38 -0.55 8.29 7.57 1hn9A1 TYR 185 HA -0.24 0.20 0.84 -0.75 4.56 4.61 1hn9A1 TYR 185 HB2 -1.00 -0.04 0.11 -0.04 3.06 2.09 1hn9A1 TYR 185 HB3 -1.63 -0.06 0.14 -0.04 2.98 1.38 1hn9A1 TYR 185 HD2 0.04 0.06 0.03 -0.04 7.15 7.24 1hn9A1 TYR 185 HE2 0.16 0.03 -0.03 -0.04 6.85 6.96 1hn9A1 GLY 186 H -0.07 0.52 -0.18 -0.55 8.43 8.16 1hn9A1 GLY 186 HA2 -0.02 0.01 0.29 -0.51 4.01 3.77 1hn9A1 GLY 186 HA3 -0.02 0.11 0.34 -0.51 4.01 3.93 1hn9A1 GLU 187 H -0.03 0.13 -0.32 -0.55 8.60 7.84 1hn9A1 GLU 187 HA 0.02 0.12 0.38 -0.75 4.29 4.06 1hn9A1 LEU 188 H -0.01 0.38 -0.28 -0.55 8.37 7.91 1hn9A1 LEU 188 HA 0.11 0.07 0.46 -0.75 4.35 4.24 1hn9A1 LEU 188 HB2 0.17 0.10 0.02 -0.04 1.64 1.89 1hn9A1 LEU 188 HB3 0.26 -0.11 0.11 -0.04 1.64 1.87 1hn9A1 LEU 188 HG 0.07 0.04 0.03 -0.04 1.64 1.74 1hn9A1 LEU 188 HD13 0.25 -0.02 -0.05 -0.04 0.93 1.07 1hn9A1 LEU 188 HD23 0.10 -0.01 -0.07 -0.04 0.89 0.87 1hn9A1 LEU 189 H 0.12 0.43 -0.43 -0.55 8.37 7.95 1hn9A1 LEU 189 HA 0.17 0.27 0.74 -0.75 4.35 4.78 1hn9A1 LEU 189 HB2 0.36 0.05 -0.19 -0.04 1.64 1.81 1hn9A1 LEU 189 HB3 0.41 -0.11 0.05 -0.04 1.64 1.94 1hn9A1 LEU 189 HG 0.18 -0.08 -0.07 -0.04 1.64 1.63 1hn9A1 LEU 189 HD13 0.21 0.07 0.09 -0.04 0.93 1.26 1hn9A1 LEU 189 HD23 0.24 -0.03 -0.10 -0.04 0.89 0.96 1hn9A1 THR 190 H 0.09 0.54 0.27 -0.55 8.28 8.63 1hn9A1 THR 190 HA 0.06 0.14 0.98 -0.75 4.39 4.82 1hn9A1 THR 190 HB 0.03 -0.01 0.01 -0.04 4.32 4.31 1hn9A1 THR 190 HG23 0.05 0.10 -0.24 -0.04 1.22 1.09 1hn9A1 LEU 191 H 0.02 0.21 -0.01 -0.55 8.37 8.04 1hn9A1 LEU 191 HA 0.01 0.22 0.58 -0.75 4.35 4.40 1hn9A1 LEU 191 HB2 -0.03 -0.06 -0.02 -0.04 1.64 1.48 1hn9A1 LEU 191 HB3 -0.01 -0.10 0.13 -0.04 1.64 1.62 1hn9A1 LEU 191 HG -0.01 0.10 -0.14 -0.04 1.64 1.54 1hn9A1 LEU 191 HD13 -0.02 0.03 0.02 -0.04 0.93 0.92 1hn9A1 LEU 191 HD23 -0.04 -0.04 0.03 -0.04 0.89 0.81 1hn9A1 PRO 192 HA -0.00 -0.05 0.54 -0.51 4.44 4.42 1hn9A1 PRO 192 HB2 -0.01 0.13 0.03 -0.04 2.28 2.38 1hn9A1 PRO 192 HB3 -0.00 -0.02 0.08 -0.04 2.02 2.04 1hn9A1 PRO 192 HG2 0.01 0.11 -0.09 -0.04 2.03 2.02 1hn9A1 PRO 192 HG3 0.01 -0.08 -0.05 -0.04 2.03 1.88 1hn9A1 PRO 192 HD2 0.01 0.21 -0.31 -0.04 3.68 3.55 1hn9A1 PRO 192 HD3 0.02 0.06 -0.22 -0.04 3.65 3.47 1hn9A1 ASN 193 H -0.01 0.03 0.16 -0.55 8.53 8.17 1hn9A1 ASN 193 HA -0.02 0.13 0.65 -0.75 4.76 4.77 1hn9A1 ASN 193 HB2 -0.01 -0.01 0.06 -0.04 2.88 2.88 1hn9A1 ASN 193 HB3 -0.02 -0.02 0.11 -0.04 2.79 2.82 1hn9A1 ASN 193 HD21 0.00 -0.03 0.01 -0.04 7.03 6.97 1hn9A1 ASN 193 HD22 -0.00 -0.00 0.03 -0.04 7.74 7.73 1hn9A1 ALA 194 H -0.03 0.07 0.08 -0.55 8.40 7.97 1hn9A1 ALA 194 HA -0.04 0.11 0.32 -0.75 4.34 3.98 1hn9A1 ALA 194 HB3 -0.04 0.01 0.02 -0.04 1.41 1.36 1hn9A1 ASP 195 H -0.03 0.27 0.08 -0.55 8.40 8.17 1hn9A1 ASP 195 HA -0.01 0.04 0.55 -0.75 4.63 4.46 1hn9A1 ASP 195 HB2 -0.02 0.13 0.08 -0.04 2.71 2.86 1hn9A1 ASP 195 HB3 -0.02 0.14 -0.03 -0.04 2.70 2.76 1hn9A1 ARG 196 H -0.01 0.21 0.11 -0.55 8.46 8.22 1hn9A1 ARG 196 HA -0.02 0.18 0.49 -0.75 4.34 4.24 1hn9A1 ARG 196 HB2 -0.01 -0.02 0.05 -0.04 1.90 1.88 1hn9A1 ARG 196 HB3 -0.01 0.02 0.10 -0.04 1.80 1.87 1hn9A1 ARG 196 HG2 -0.02 0.01 -0.07 -0.04 1.67 1.55 1hn9A1 ARG 196 HG3 -0.02 0.10 -0.18 -0.04 1.67 1.53 1hn9A1 ARG 196 HD2 -0.01 -0.01 0.00 -0.04 3.22 3.16 1hn9A1 ARG 196 HD3 -0.01 -0.00 -0.00 -0.04 3.22 3.16 1hn9A1 VAL 197 H -0.01 -0.07 -0.29 -0.55 8.24 7.32 1hn9A1 VAL 197 HA -0.00 0.21 0.77 -0.75 4.13 4.35 1hn9A1 VAL 197 HB -0.00 -0.04 0.03 -0.04 2.12 2.06 1hn9A1 VAL 197 HG13 -0.00 0.01 -0.04 -0.04 0.97 0.90 1hn9A1 VAL 197 HG23 -0.00 -0.01 -0.04 -0.04 0.95 0.86 1hn9A1 ASN 198 H -0.01 -0.01 -0.20 -0.55 8.53 7.77 1hn9A1 ASN 198 HA -0.01 0.23 0.75 -0.75 4.76 4.98 1hn9A1 ASN 198 HB2 -0.01 -0.03 0.18 -0.04 2.88 2.97 1hn9A1 ASN 198 HB3 -0.01 -0.03 0.13 -0.04 2.79 2.84 1hn9A1 ASN 198 HD21 -0.00 0.00 -0.04 -0.04 7.03 6.94 1hn9A1 ASN 198 HD22 -0.00 0.04 0.09 -0.04 7.74 7.83 1hn9A1 PRO 199 HA -0.02 0.19 0.42 -0.51 4.44 4.52 1hn9A1 PRO 199 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.19 1hn9A1 PRO 199 HB3 -0.02 0.02 0.06 -0.04 2.02 2.05 1hn9A1 PRO 199 HG2 -0.01 0.03 -0.03 -0.04 2.03 1.99 1hn9A1 PRO 199 HG3 -0.01 0.11 -0.04 -0.04 2.03 2.04 1hn9A1 PRO 199 HD2 -0.01 0.09 0.05 -0.04 3.68 3.77 1hn9A1 PRO 199 HD3 -0.01 0.20 -0.64 -0.04 3.65 3.15 1hn9A1 GLU 200 H -0.01 0.01 -0.47 -0.55 8.60 7.58 1hn9A1 GLU 200 HA -0.02 0.11 0.45 -0.75 4.29 4.08 1hn9A1 GLU 200 HB2 -0.01 -0.00 0.05 -0.04 2.09 2.09 1hn9A1 GLU 200 HB3 -0.01 -0.02 0.03 -0.04 1.99 1.96 1hn9A1 GLU 200 HG2 -0.01 0.03 -0.22 -0.04 2.34 2.11 1hn9A1 GLU 200 HG3 -0.00 -0.01 -0.05 -0.04 2.34 2.24 1hn9A1 ASN 201 H -0.01 0.37 -0.06 -0.55 8.53 8.28 1hn9A1 ASN 201 HA -0.01 -0.07 0.44 -0.75 4.76 4.37 1hn9A1 ASN 201 HB2 -0.01 0.05 0.16 -0.04 2.88 3.03 1hn9A1 ASN 201 HB3 -0.01 0.05 0.05 -0.04 2.79 2.84 1hn9A1 ASN 201 HD21 -0.00 -0.04 0.05 -0.04 7.03 7.00 1hn9A1 ASN 201 HD22 -0.00 -0.03 0.08 -0.04 7.74 7.74 1hn9A1 SER 202 H -0.01 0.01 0.20 -0.55 8.46 8.11 1hn9A1 SER 202 HA -0.10 0.09 0.45 -0.75 4.49 4.17 1hn9A1 SER 202 HB2 0.00 0.04 0.17 -0.04 3.95 4.12 1hn9A1 SER 202 HB3 0.01 -0.01 0.14 -0.04 3.93 4.03 1hn9A1 ILE 203 H -0.25 0.11 0.16 -0.55 8.25 7.71 1hn9A1 ILE 203 HA -0.05 0.23 0.79 -0.75 4.18 4.39 1hn9A1 ILE 203 HB -0.06 0.08 0.09 -0.04 1.89 1.96 1hn9A1 ILE 203 HG12 -0.18 -0.03 0.03 -0.04 1.49 1.27 1hn9A1 ILE 203 HG13 -0.18 0.03 -0.15 -0.04 1.21 0.86 1hn9A1 ILE 203 HG23 -0.06 0.04 -0.31 -0.04 0.93 0.57 1hn9A1 ILE 203 HD13 -0.07 -0.01 -0.02 -0.04 0.88 0.74 1hn9A1 HIS 204 H -0.08 -0.06 -0.03 -0.55 8.41 7.69 1hn9A1 HIS 204 HA -0.01 0.33 0.62 -0.75 4.63 4.82 1hn9A1 HIS 204 HB2 0.01 -0.08 0.08 -0.04 3.26 3.23 1hn9A1 HIS 204 HB3 0.01 0.02 0.06 -0.04 3.20 3.25 1hn9A1 HIS 204 HD2 -0.00 0.24 -0.29 -0.04 6.97 6.88 1hn9A1 HIS 204 HE1 0.01 0.01 0.04 -0.04 7.75 7.76 1hn9A1 LEU 205 H 0.07 0.48 0.29 -0.55 8.37 8.67 1hn9A1 LEU 205 HA 0.01 0.18 0.66 -0.75 4.35 4.45 1hn9A1 LEU 205 HB2 -0.10 0.02 0.08 -0.04 1.64 1.60 1hn9A1 LEU 205 HB3 -0.05 -0.11 0.06 -0.04 1.64 1.50 1hn9A1 LEU 205 HG -0.07 0.12 0.06 -0.04 1.64 1.71 1hn9A1 LEU 205 HD13 -0.64 -0.03 -0.03 -0.04 0.93 0.20 1hn9A1 LEU 205 HD23 0.07 -0.03 -0.29 -0.04 0.89 0.60 1hn9A1 THR 206 H 0.05 0.64 0.42 -0.55 8.28 8.85 1hn9A1 THR 206 HA 0.08 0.12 0.89 -0.75 4.39 4.72 1hn9A1 THR 206 HB 0.07 -0.04 0.03 -0.04 4.32 4.34 1hn9A1 THR 206 HG23 0.06 0.07 -0.13 -0.04 1.22 1.18 1hn9A1 MET 207 H 0.10 0.21 0.13 -0.55 8.47 8.37 1hn9A1 MET 207 HA 0.15 0.31 0.75 -0.75 4.52 4.98 1hn9A1 MET 207 HB2 0.21 0.08 -0.23 -0.04 2.15 2.17 1hn9A1 MET 207 HB3 0.17 -0.04 -0.03 -0.04 2.03 2.09 1hn9A1 MET 207 HG2 0.15 -0.15 -0.34 -0.04 2.63 2.25 1hn9A1 MET 207 HG3 0.20 0.07 0.02 -0.04 2.56 2.81 1hn9A1 MET 207 HE3 0.12 -0.00 -0.01 -0.04 2.10 2.17 1hn9A1 ALA 208 H 0.16 0.79 0.24 -0.55 8.40 9.03 1hn9A1 ALA 208 HA 0.10 0.13 0.78 -0.75 4.34 4.59 1hn9A1 ALA 208 HB3 0.12 0.01 0.20 -0.04 1.41 1.70 1hn9A1 GLY 209 H 0.10 0.39 -0.16 -0.55 8.43 8.22 1hn9A1 GLY 209 HA2 0.11 0.06 0.28 -0.51 4.01 3.95 1hn9A1 GLY 209 HA3 0.08 0.13 0.31 -0.51 4.01 4.01 1hn9A1 ASN 210 H 0.06 0.13 -0.07 -0.55 8.53 8.11 1hn9A1 ASN 210 HA 0.04 0.11 0.50 -0.75 4.76 4.66 1hn9A1 ASN 210 HB2 0.05 -0.01 0.08 -0.04 2.88 2.95 1hn9A1 ASN 210 HB3 0.02 0.06 0.04 -0.04 2.79 2.87 1hn9A1 ASN 210 HD21 0.04 0.06 0.03 -0.04 7.03 7.12 1hn9A1 ASN 210 HD22 0.04 -0.01 0.05 -0.04 7.74 7.78 1hn9A1 GLU 211 H 0.09 0.13 -0.12 -0.55 8.60 8.16 1hn9A1 GLU 211 HA 0.09 0.10 0.49 -0.75 4.29 4.21 1hn9A1 GLU 211 HB2 0.10 -0.01 0.11 -0.04 2.09 2.25 1hn9A1 GLU 211 HB3 0.14 0.07 0.12 -0.04 1.99 2.28 1hn9A1 GLU 211 HG2 0.17 -0.01 -0.07 -0.04 2.34 2.39 1hn9A1 GLU 211 HG3 0.11 0.00 0.08 -0.04 2.34 2.49 1hn9A1 VAL 212 H 0.14 0.58 -0.12 -0.55 8.24 8.29 1hn9A1 VAL 212 HA 0.14 -0.00 0.33 -0.75 4.13 3.83 1hn9A1 VAL 212 HB 0.12 0.11 0.06 -0.04 2.12 2.37 1hn9A1 VAL 212 HG13 -0.00 -0.02 -0.20 -0.04 0.97 0.71 1hn9A1 VAL 212 HG23 0.33 0.01 -0.05 -0.04 0.95 1.20 1hn9A1 PHE 213 H 0.15 0.55 -0.17 -0.55 8.34 8.32 1hn9A1 PHE 213 HA -0.21 -0.05 0.35 -0.75 4.62 3.95 1hn9A1 PHE 213 HB2 -0.08 0.02 0.11 -0.04 3.15 3.16 1hn9A1 PHE 213 HB3 -0.07 0.13 0.19 -0.04 3.06 3.27 1hn9A1 PHE 213 HD2 -0.10 0.01 -0.13 -0.04 7.28 7.03 1hn9A1 PHE 213 HE2 -0.09 -0.07 -0.14 -0.04 7.38 7.04 1hn9A1 PHE 213 HZ -0.09 0.06 -0.12 -0.04 7.32 7.13 1hn9A1 LYS 214 H 0.10 0.48 -0.16 -0.55 8.42 8.29 1hn9A1 LYS 214 HA -0.10 0.03 0.38 -0.75 4.32 3.88 1hn9A1 VAL 215 H -0.18 0.47 -0.12 -0.55 8.24 7.85 1hn9A1 VAL 215 HA -0.27 0.06 0.47 -0.75 4.13 3.63 1hn9A1 VAL 215 HB -0.27 0.08 0.12 -0.04 2.12 2.01 1hn9A1 VAL 215 HG13 -0.37 -0.02 -0.11 -0.04 0.97 0.43 1hn9A1 VAL 215 HG23 -0.12 0.02 0.03 -0.04 0.95 0.84 1hn9A1 ALA 216 H -0.74 0.67 -0.07 -0.55 8.40 7.71 1hn9A1 ALA 216 HA -1.91 -0.03 0.35 -0.75 4.34 1.99 1hn9A1 ALA 216 HB3 -1.11 0.00 0.03 -0.04 1.41 0.30 1hn9A1 VAL 217 H -0.67 0.58 -0.19 -0.55 8.24 7.41 1hn9A1 VAL 217 HA -0.44 -0.00 0.38 -0.75 4.13 3.31 1hn9A1 VAL 217 HB -0.46 0.14 0.13 -0.04 2.12 1.90 1hn9A1 VAL 217 HG13 -0.25 -0.01 -0.13 -0.04 0.97 0.54 1hn9A1 VAL 217 HG23 -0.97 0.03 0.03 -0.04 0.95 -0.01 1hn9A1 THR 218 H -0.41 0.39 -0.21 -0.55 8.28 7.49 1hn9A1 THR 218 HA -0.37 0.06 0.43 -0.75 4.39 3.75 1hn9A1 THR 218 HB -0.33 0.09 0.21 -0.04 4.32 4.24 1hn9A1 THR 218 HG23 -0.32 -0.02 -0.09 -0.04 1.22 0.75 1hn9A1 GLU 219 H -0.57 0.65 -0.01 -0.55 8.60 8.13 1hn9A1 GLU 219 HA -0.36 0.05 0.46 -0.75 4.29 3.68 1hn9A1 GLU 219 HB2 -0.95 0.03 0.03 -0.04 2.09 1.16 1hn9A1 GLU 219 HB3 -1.99 -0.05 -0.06 -0.04 1.99 -0.14 1hn9A1 GLU 219 HG2 -0.55 0.15 0.04 -0.04 2.34 1.94 1hn9A1 GLU 219 HG3 -1.28 -0.06 -0.08 -0.04 2.34 0.88 1hn9A1 LEU 220 H -0.41 0.69 -0.15 -0.55 8.37 7.95 1hn9A1 LEU 220 HA -0.00 0.00 0.47 -0.75 4.35 4.07 1hn9A1 LEU 220 HB2 -0.23 0.18 0.11 -0.04 1.64 1.65 1hn9A1 LEU 220 HB3 -0.07 -0.03 -0.05 -0.04 1.64 1.45 1hn9A1 LEU 220 HG -0.19 0.01 0.00 -0.04 1.64 1.43 1hn9A1 LEU 220 HD13 -0.10 -0.03 -0.11 -0.04 0.93 0.64 1hn9A1 LEU 220 HD23 0.15 -0.03 -0.16 -0.04 0.89 0.81 1hn9A1 ALA 221 H -0.24 0.45 -0.29 -0.55 8.40 7.78 1hn9A1 ALA 221 HA -0.06 0.03 0.37 -0.75 4.34 3.93 1hn9A1 ALA 221 HB3 -0.16 0.06 0.11 -0.04 1.41 1.38 1hn9A1 HIS 222 H -0.16 0.44 -0.14 -0.55 8.41 8.01 1hn9A1 HIS 222 HA 0.01 0.04 0.34 -0.75 4.63 4.26 1hn9A1 HIS 222 HB2 0.04 0.07 0.14 -0.04 3.26 3.47 1hn9A1 HIS 222 HB3 0.06 -0.04 -0.05 -0.04 3.20 3.13 1hn9A1 HIS 222 HD2 -0.01 -0.02 -0.04 -0.04 6.97 6.85 1hn9A1 HIS 222 HE1 -0.00 -0.05 -0.06 -0.04 7.75 7.60 1hn9A1 ILE 223 H 0.19 0.54 -0.20 -0.55 8.25 8.24 1hn9A1 ILE 223 HA 0.22 0.05 0.35 -0.75 4.18 4.04 1hn9A1 ILE 223 HB 0.62 0.01 -0.01 -0.04 1.89 2.47 1hn9A1 ILE 223 HG12 0.18 -0.00 -0.15 -0.04 1.49 1.48 1hn9A1 ILE 223 HG13 0.32 -0.01 -0.09 -0.04 1.21 1.39 1hn9A1 ILE 223 HG23 0.27 0.02 -0.06 -0.04 0.93 1.12 1hn9A1 ILE 223 HD13 0.32 0.01 -0.30 -0.04 0.88 0.86 1hn9A1 VAL 224 H 0.08 0.54 -0.25 -0.55 8.24 8.06 1hn9A1 VAL 224 HA 0.05 0.02 0.36 -0.75 4.13 3.80 1hn9A1 VAL 224 HB 0.03 0.14 0.13 -0.04 2.12 2.37 1hn9A1 VAL 224 HG13 0.03 -0.00 -0.19 -0.04 0.97 0.76 1hn9A1 VAL 224 HG23 0.06 -0.01 -0.04 -0.04 0.95 0.92 1hn9A1 ASP 225 H 0.05 0.55 -0.13 -0.55 8.40 8.33 1hn9A1 ASP 225 HA 0.02 0.04 0.39 -0.75 4.63 4.32 1hn9A1 ASP 225 HB2 0.06 0.11 0.13 -0.04 2.71 2.97 1hn9A1 ASP 225 HB3 0.03 -0.05 -0.01 -0.04 2.70 2.62 1hn9A1 GLU 226 H 0.04 0.54 -0.24 -0.55 8.60 8.39 1hn9A1 GLU 226 HA -0.00 -0.01 0.37 -0.75 4.29 3.89 1hn9A1 GLU 226 HB2 0.06 0.05 0.07 -0.04 2.09 2.23 1hn9A1 GLU 226 HB3 0.01 0.07 0.10 -0.04 1.99 2.13 1hn9A1 GLU 226 HG2 -0.09 0.01 -0.24 -0.04 2.34 1.98 1hn9A1 GLU 226 HG3 0.04 -0.03 -0.01 -0.04 2.34 2.31 1hn9A1 THR 227 H -0.10 0.58 -0.27 -0.55 8.28 7.94 1hn9A1 THR 227 HA -0.56 -0.02 0.24 -0.75 4.39 3.30 1hn9A1 THR 227 HB -0.03 0.15 0.11 -0.04 4.32 4.51 1hn9A1 THR 227 HG23 0.07 -0.02 -0.22 -0.04 1.22 1.01 1hn9A1 LEU 228 H -0.02 0.45 -0.23 -0.55 8.37 8.03 1hn9A1 LEU 228 HA 0.01 0.02 0.32 -0.75 4.35 3.95 1hn9A1 LEU 228 HB2 0.00 0.04 0.13 -0.04 1.64 1.78 1hn9A1 LEU 228 HB3 0.01 0.23 -0.07 -0.04 1.64 1.77 1hn9A1 LEU 228 HG 0.01 0.05 -0.01 -0.04 1.64 1.66 1hn9A1 LEU 228 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.78 1hn9A1 LEU 228 HD23 0.02 -0.01 -0.24 -0.04 0.89 0.62 1hn9A1 ALA 229 H -0.00 0.57 -0.03 -0.55 8.40 8.39 1hn9A1 ALA 229 HA 0.01 0.01 0.37 -0.75 4.34 3.98 1hn9A1 ALA 229 HB3 0.01 -0.01 0.08 -0.04 1.41 1.44 1hn9A1 ALA 230 H -0.00 0.70 -0.15 -0.55 8.40 8.40 1hn9A1 ALA 230 HA 0.05 -0.03 0.39 -0.75 4.34 4.00 1hn9A1 ALA 230 HB3 0.11 0.00 0.04 -0.04 1.41 1.52 1hn9A1 ASN 231 H 0.04 0.35 -0.49 -0.55 8.53 7.88 1hn9A1 ASN 231 HA 0.04 0.16 0.81 -0.75 4.76 5.02 1hn9A1 ASN 231 HB2 0.04 0.07 0.06 -0.04 2.88 3.01 1hn9A1 ASN 231 HB3 0.04 -0.05 0.13 -0.04 2.79 2.87 1hn9A1 ASN 231 HD21 0.19 -0.14 -0.13 -0.04 7.03 6.91 1hn9A1 ASN 231 HD22 0.09 0.32 -0.00 -0.04 7.74 8.11 1hn9A1 ASN 232 H 0.02 0.50 -0.37 -0.55 8.53 8.13 1hn9A1 ASN 232 HA 0.01 -0.01 0.29 -0.75 4.76 4.30 1hn9A1 ASN 232 HB2 0.02 0.00 -0.24 -0.04 2.88 2.62 1hn9A1 ASN 232 HB3 0.01 0.06 0.06 -0.04 2.79 2.87 1hn9A1 ASN 232 HD21 0.01 -0.06 0.02 -0.04 7.03 6.95 1hn9A1 ASN 232 HD22 0.01 0.02 0.01 -0.04 7.74 7.73 1hn9A1 LEU 233 H 0.02 0.54 -0.23 -0.55 8.37 8.15 1hn9A1 LEU 233 HA 0.01 0.13 0.91 -0.75 4.35 4.65 1hn9A1 LEU 233 HB2 0.02 -0.01 -0.03 -0.04 1.64 1.58 1hn9A1 LEU 233 HB3 0.01 -0.01 -0.07 -0.04 1.64 1.53 1hn9A1 LEU 233 HG 0.02 0.38 -0.19 -0.04 1.64 1.81 1hn9A1 LEU 233 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 1hn9A1 LEU 233 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.84 1hn9A1 ASP 234 H 0.00 0.14 0.12 -0.55 8.40 8.12 1hn9A1 ASP 234 HA 0.00 0.16 0.66 -0.75 4.63 4.70 1hn9A1 ASP 234 HB2 -0.00 0.08 0.06 -0.04 2.71 2.81 1hn9A1 ASP 234 HB3 -0.00 -0.01 0.06 -0.04 2.70 2.71 1hn9A1 ARG 235 H -0.00 0.17 0.14 -0.55 8.46 8.21 1hn9A1 ARG 235 HA 0.00 0.08 0.30 -0.75 4.34 3.96 1hn9A1 ARG 235 HB2 -0.01 0.12 0.13 -0.04 1.90 2.10 1hn9A1 ARG 235 HB3 -0.00 -0.02 0.14 -0.04 1.80 1.87 1hn9A1 ARG 235 HG2 -0.01 -0.18 0.10 -0.04 1.67 1.54 1hn9A1 ARG 235 HG3 -0.01 0.13 -0.12 -0.04 1.67 1.63 1hn9A1 ARG 235 HD2 -0.01 0.04 -0.04 -0.04 3.22 3.16 1hn9A1 ARG 235 HD3 -0.00 -0.07 0.01 -0.04 3.22 3.12 1hn9A1 SER 236 H -0.01 -0.01 -0.32 -0.55 8.46 7.57 1hn9A1 SER 236 HA -0.03 0.18 0.38 -0.75 4.49 4.26 1hn9A1 SER 236 HB2 -0.03 0.03 0.09 -0.04 3.95 4.00 1hn9A1 SER 236 HB3 -0.02 -0.01 0.07 -0.04 3.93 3.92 1hn9A1 GLN 237 H -0.01 0.46 -0.46 -0.55 8.47 7.92 1hn9A1 GLN 237 HA -0.02 0.12 0.65 -0.75 4.36 4.36 1hn9A1 GLN 237 HB2 0.00 0.09 0.01 -0.04 2.15 2.22 1hn9A1 GLN 237 HB3 0.00 -0.02 0.11 -0.04 2.02 2.07 1hn9A1 GLN 237 HG2 -0.01 0.02 -0.04 -0.04 2.40 2.33 1hn9A1 GLN 237 HG3 -0.00 -0.10 0.01 -0.04 2.39 2.26 1hn9A1 GLN 237 HE21 0.00 0.04 0.04 -0.04 6.97 7.01 1hn9A1 GLN 237 HE22 0.00 0.02 0.03 -0.04 7.69 7.70 1hn9A1 LEU 238 H -0.02 0.36 -0.28 -0.55 8.37 7.89 1hn9A1 LEU 238 HA 0.02 -0.00 0.49 -0.75 4.35 4.10 1hn9A1 LEU 238 HB2 -0.02 0.16 0.07 -0.04 1.64 1.82 1hn9A1 LEU 238 HB3 0.01 -0.05 -0.14 -0.04 1.64 1.42 1hn9A1 LEU 238 HG 0.02 0.01 -0.03 -0.04 1.64 1.60 1hn9A1 LEU 238 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.86 1hn9A1 LEU 238 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.75 1hn9A1 ASP 239 H 0.02 0.47 0.39 -0.55 8.40 8.74 1hn9A1 ASP 239 HA -0.26 0.19 0.90 -0.75 4.63 4.70 1hn9A1 ASP 239 HB2 0.07 0.06 0.24 -0.04 2.71 3.04 1hn9A1 ASP 239 HB3 -0.25 -0.01 0.07 -0.04 2.70 2.47 1hn9A1 TRP 240 H 0.12 0.29 0.33 -0.55 7.97 8.17 1hn9A1 TRP 240 HA -0.00 0.43 0.85 -0.75 4.62 5.14 1hn9A1 TRP 240 HB2 -0.00 -0.10 -0.03 -0.04 3.23 3.05 1hn9A1 TRP 240 HB3 -0.01 -0.03 -0.18 -0.04 3.23 2.97 1hn9A1 TRP 240 HD1 -0.02 -0.08 -0.21 -0.04 7.22 6.87 1hn9A1 TRP 240 HE1 -0.03 0.13 -0.01 -0.04 10.20 10.25 1hn9A1 TRP 240 HE3 -0.02 -0.03 -0.40 -0.04 7.59 7.09 1hn9A1 TRP 240 HZ2 -0.03 0.08 0.03 -0.04 7.44 7.48 1hn9A1 TRP 240 HZ3 -0.03 0.05 -0.19 -0.04 7.13 6.91 1hn9A1 TRP 240 HH2 -0.03 -0.03 0.03 -0.04 7.19 7.12 1hn9A1 LEU 241 H 0.26 0.64 0.37 -0.55 8.37 9.09 1hn9A1 LEU 241 HA 0.13 0.17 0.92 -0.75 4.35 4.82 1hn9A1 LEU 241 HB2 0.07 0.05 -0.01 -0.04 1.64 1.70 1hn9A1 LEU 241 HB3 0.09 -0.01 0.16 -0.04 1.64 1.84 1hn9A1 LEU 241 HG 0.08 -0.04 -0.24 -0.04 1.64 1.39 1hn9A1 LEU 241 HD13 0.07 0.03 -0.07 -0.04 0.93 0.92 1hn9A1 LEU 241 HD23 0.03 -0.02 -0.11 -0.04 0.89 0.75 1hn9A1 VAL 242 H 0.12 0.78 0.21 -0.55 8.24 8.80 1hn9A1 VAL 242 HA 0.05 0.17 0.89 -0.75 4.13 4.49 1hn9A1 VAL 242 HB 0.10 -0.02 0.11 -0.04 2.12 2.26 1hn9A1 VAL 242 HG13 0.01 -0.03 -0.09 -0.04 0.97 0.81 1hn9A1 VAL 242 HG23 0.01 0.01 -0.25 -0.04 0.95 0.68 1hn9A1 PRO 243 HA 0.10 0.10 0.78 -0.51 4.44 4.91 1hn9A1 PRO 243 HB2 0.04 0.06 -0.01 -0.04 2.28 2.32 1hn9A1 PRO 243 HB3 0.05 0.02 0.01 -0.04 2.02 2.06 1hn9A1 PRO 243 HG2 0.00 -0.05 -0.06 -0.04 2.03 1.88 1hn9A1 PRO 243 HG3 0.02 0.01 -0.03 -0.04 2.03 2.00 1hn9A1 PRO 243 HD2 0.03 0.30 0.22 -0.04 3.68 4.18 1hn9A1 PRO 243 HD3 0.06 0.15 -0.35 -0.04 3.65 3.48 1hn9A1 HIS 244 H 0.20 0.27 0.28 -0.55 8.41 8.62 1hn9A1 HIS 244 HA 0.07 -0.02 0.49 -0.75 4.63 4.42 1hn9A1 HIS 244 HB2 0.12 0.08 0.37 -0.04 3.26 3.79 1hn9A1 HIS 244 HB3 0.09 -0.08 0.24 -0.04 3.20 3.41 1hn9A1 HIS 244 HD2 0.10 -0.04 -0.03 -0.04 6.97 6.96 1hn9A1 HIS 244 HE1 0.13 -0.17 0.07 -0.04 7.75 7.73 1hn9A1 GLN 245 H -0.42 0.07 0.08 -0.55 8.47 7.66 1hn9A1 GLN 245 HA -0.14 0.14 0.56 -0.75 4.36 4.16 1hn9A1 GLN 245 HB2 -0.16 0.06 0.21 -0.04 2.15 2.22 1hn9A1 GLN 245 HB3 -0.12 -0.07 0.09 -0.04 2.02 1.87 1hn9A1 GLN 245 HG2 -0.10 0.11 0.03 -0.04 2.40 2.40 1hn9A1 GLN 245 HG3 -0.09 0.01 0.02 -0.04 2.39 2.29 1hn9A1 GLN 245 HE21 -0.04 0.37 0.22 -0.04 6.97 7.47 1hn9A1 GLN 245 HE22 -0.04 0.33 0.03 -0.04 7.69 7.97 1hn9A1 ALA 246 H -0.12 0.35 -0.06 -0.55 8.40 8.02 1hn9A1 ALA 246 HA -0.09 0.02 0.41 -0.75 4.34 3.93 1hn9A1 ALA 246 HB3 0.09 -0.01 0.05 -0.04 1.41 1.49 1hn9A1 ASN 247 H -0.05 0.22 0.13 -0.55 8.53 8.29 1hn9A1 ASN 247 HA -0.08 0.27 0.38 -0.75 4.76 4.58 1hn9A1 ASN 247 HB2 -0.07 0.11 0.27 -0.04 2.88 3.15 1hn9A1 ASN 247 HB3 -0.06 0.26 0.12 -0.04 2.79 3.07 1hn9A1 ASN 247 HD21 0.20 -0.02 -0.07 -0.04 7.03 7.10 1hn9A1 ASN 247 HD22 0.03 0.12 -0.24 -0.04 7.74 7.61 1hn9A1 LEU 248 H -0.07 0.71 0.16 -0.55 8.37 8.62 1hn9A1 LEU 248 HA -0.04 0.02 0.38 -0.75 4.35 3.96 1hn9A1 LEU 248 HB2 -0.06 0.07 0.09 -0.04 1.64 1.70 1hn9A1 LEU 248 HB3 -0.06 0.07 -0.09 -0.04 1.64 1.52 1hn9A1 LEU 248 HG -0.04 -0.02 -0.10 -0.04 1.64 1.44 1hn9A1 LEU 248 HD13 -0.03 -0.02 0.03 -0.04 0.93 0.87 1hn9A1 LEU 248 HD23 -0.05 0.03 -0.02 -0.04 0.89 0.81 1hn9A1 ARG 249 H -0.01 0.18 -0.20 -0.55 8.46 7.87 1hn9A1 ARG 249 HA 0.02 0.13 0.41 -0.75 4.34 4.14 1hn9A1 ILE 250 H 0.11 0.13 -0.22 -0.55 8.25 7.72 1hn9A1 ILE 250 HA -0.15 0.08 0.36 -0.75 4.18 3.72 1hn9A1 ILE 250 HB -0.03 0.04 0.15 -0.04 1.89 2.01 1hn9A1 ILE 250 HG12 0.14 -0.03 0.01 -0.04 1.49 1.57 1hn9A1 ILE 250 HG13 -0.05 -0.03 -0.01 -0.04 1.21 1.08 1hn9A1 ILE 250 HG23 -0.14 0.01 -0.19 -0.04 0.93 0.57 1hn9A1 ILE 250 HD13 -0.63 0.01 -0.03 -0.04 0.88 0.19 1hn9A1 ILE 251 H -0.02 0.32 -0.08 -0.55 8.25 7.92 1hn9A1 ILE 251 HA -0.02 0.03 0.35 -0.75 4.18 3.78 1hn9A1 ILE 251 HB -0.02 0.06 0.12 -0.04 1.89 2.00 1hn9A1 ILE 251 HG12 -0.01 0.05 -0.01 -0.04 1.49 1.47 1hn9A1 ILE 251 HG13 -0.03 -0.08 0.10 -0.04 1.21 1.16 1hn9A1 ILE 251 HG23 -0.01 0.01 -0.18 -0.04 0.93 0.72 1hn9A1 ILE 251 HD13 -0.05 -0.01 -0.08 -0.04 0.88 0.70 1hn9A1 SER 252 H -0.01 0.59 -0.21 -0.55 8.46 8.27 1hn9A1 SER 252 HA -0.01 0.02 0.37 -0.75 4.49 4.11 1hn9A1 SER 252 HB2 -0.00 0.06 0.11 -0.04 3.95 4.08 1hn9A1 SER 252 HB3 -0.01 -0.04 0.03 -0.04 3.93 3.87 1hn9A1 ALA 253 H -0.02 0.44 -0.25 -0.55 8.40 8.02 1hn9A1 ALA 253 HA -0.03 0.02 0.43 -0.75 4.34 4.01 1hn9A1 ALA 253 HB3 -0.08 0.01 0.11 -0.04 1.41 1.41 1hn9A1 THR 254 H -0.06 0.54 -0.04 -0.55 8.28 8.17 1hn9A1 THR 254 HA -0.06 0.02 0.34 -0.75 4.39 3.94 1hn9A1 THR 254 HB -0.02 0.09 0.09 -0.04 4.32 4.43 1hn9A1 THR 254 HG23 -0.00 -0.01 -0.16 -0.04 1.22 1.00 1hn9A1 ALA 255 H -0.02 0.58 -0.15 -0.55 8.40 8.26 1hn9A1 ALA 255 HA -0.01 0.01 0.31 -0.75 4.34 3.91 1hn9A1 ALA 255 HB3 -0.01 0.04 -0.03 -0.04 1.41 1.38 1hn9A1 LYS 256 H -0.02 0.51 -0.22 -0.55 8.42 8.14 1hn9A1 LYS 256 HA -0.02 0.01 0.39 -0.75 4.32 3.95 1hn9A1 LYS 256 HB2 -0.02 0.02 0.14 -0.04 1.87 1.97 1hn9A1 LYS 256 HB3 -0.03 0.15 0.22 -0.04 1.79 2.09 1hn9A1 LYS 256 HG2 -0.02 0.00 -0.19 -0.04 1.46 1.21 1hn9A1 LYS 256 HG3 -0.02 -0.04 0.02 -0.04 1.46 1.38 1hn9A1 LYS 256 HD2 -0.02 -0.04 -0.03 -0.04 1.69 1.56 1hn9A1 LYS 256 HD3 -0.02 -0.02 -0.02 -0.04 1.68 1.58 1hn9A1 LYS 256 HE2 -0.03 0.19 0.06 -0.04 2.99 3.16 1hn9A1 LYS 256 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.86 1hn9A1 LYS 257 H -0.03 0.54 -0.15 -0.55 8.42 8.23 1hn9A1 LYS 257 HA -0.02 0.01 0.43 -0.75 4.32 3.99 1hn9A1 LYS 257 HB2 -0.04 -0.07 0.09 -0.04 1.87 1.81 1hn9A1 LYS 257 HB3 -0.04 0.11 0.15 -0.04 1.79 1.98 1hn9A1 LYS 257 HG2 -0.02 0.00 -0.10 -0.04 1.46 1.31 1hn9A1 LYS 257 HG3 -0.01 0.00 0.06 -0.04 1.46 1.47 1hn9A1 LYS 257 HD2 -0.05 -0.07 0.02 -0.04 1.69 1.55 1hn9A1 LYS 257 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 1hn9A1 LYS 257 HE2 -0.01 0.01 0.03 -0.04 2.99 2.97 1hn9A1 LYS 257 HE3 -0.03 0.02 0.03 -0.04 2.99 2.97 1hn9A1 LEU 258 H -0.02 0.35 -0.46 -0.55 8.37 7.69 1hn9A1 LEU 258 HA -0.01 0.10 0.78 -0.75 4.35 4.47 1hn9A1 LEU 258 HB2 -0.01 0.06 0.08 -0.04 1.64 1.73 1hn9A1 LEU 258 HB3 -0.01 -0.01 0.07 -0.04 1.64 1.66 1hn9A1 LEU 258 HG -0.00 0.01 -0.14 -0.04 1.64 1.46 1hn9A1 LEU 258 HD13 0.02 -0.02 -0.13 -0.04 0.93 0.75 1hn9A1 LEU 258 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1hn9A1 GLY 259 H -0.02 0.41 -0.38 -0.55 8.43 7.90 1hn9A1 GLY 259 HA2 -0.02 0.01 0.28 -0.51 4.01 3.77 1hn9A1 GLY 259 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.83 1hn9A1 MET 260 H -0.02 0.53 -0.17 -0.55 8.47 8.25 1hn9A1 MET 260 HA -0.05 0.17 0.83 -0.75 4.52 4.73 1hn9A1 MET 260 HB2 -0.02 -0.08 -0.04 -0.04 2.15 1.98 1hn9A1 MET 260 HB3 -0.05 0.04 -0.16 -0.04 2.03 1.82 1hn9A1 MET 260 HG2 -0.05 0.09 -0.13 -0.04 2.63 2.49 1hn9A1 MET 260 HG3 -0.03 0.13 -0.28 -0.04 2.56 2.34 1hn9A1 MET 260 HE3 -0.04 0.00 -0.28 -0.04 2.10 1.74 1hn9A1 SER 261 H -0.06 0.19 0.12 -0.55 8.46 8.17 1hn9A1 SER 261 HA -0.03 0.10 0.47 -0.75 4.49 4.27 1hn9A1 SER 261 HB2 -0.04 0.10 0.09 -0.04 3.95 4.05 1hn9A1 SER 261 HB3 -0.07 0.10 0.14 -0.04 3.93 4.05 1hn9A1 MET 262 H -0.02 0.17 0.14 -0.55 8.47 8.22 1hn9A1 MET 262 HA 0.01 0.11 0.31 -0.75 4.52 4.19 1hn9A1 MET 262 HB2 -0.00 -0.01 0.09 -0.04 2.15 2.19 1hn9A1 MET 262 HB3 0.01 0.03 0.08 -0.04 2.03 2.11 1hn9A1 MET 262 HG2 -0.01 0.02 0.05 -0.04 2.63 2.65 1hn9A1 MET 262 HG3 -0.01 -0.01 0.02 -0.04 2.56 2.52 1hn9A1 MET 262 HE3 -0.00 -0.01 -0.07 -0.04 2.10 1.97 1hn9A1 ASP 263 H -0.03 -0.04 -0.55 -0.55 8.40 7.23 1hn9A1 ASP 263 HA 0.04 0.09 0.42 -0.75 4.63 4.43 1hn9A1 ASP 263 HB2 -0.07 -0.00 -0.02 -0.04 2.71 2.58 1hn9A1 ASP 263 HB3 -0.04 0.07 0.06 -0.04 2.70 2.76 1hn9A1 ASN 264 H -0.08 0.54 -0.36 -0.55 8.53 8.09 1hn9A1 ASN 264 HA -0.75 0.26 0.89 -0.75 4.76 4.40 1hn9A1 ASN 264 HB2 -0.16 -0.03 0.01 -0.04 2.88 2.65 1hn9A1 ASN 264 HB3 -0.36 0.10 0.09 -0.04 2.79 2.58 1hn9A1 ASN 264 HD21 -0.39 -0.10 0.05 -0.04 7.03 6.54 1hn9A1 ASN 264 HD22 -0.75 0.55 0.21 -0.04 7.74 7.71 1hn9A1 VAL 265 H 0.14 0.48 -0.38 -0.55 8.24 7.93 1hn9A1 VAL 265 HA 0.21 0.15 1.02 -0.75 4.13 4.77 1hn9A1 VAL 265 HB 0.06 0.00 0.04 -0.04 2.12 2.18 1hn9A1 VAL 265 HG13 0.05 -0.02 -0.18 -0.04 0.97 0.78 1hn9A1 VAL 265 HG23 0.03 0.01 -0.24 -0.04 0.95 0.71 1hn9A1 VAL 266 H 0.14 0.59 0.27 -0.55 8.24 8.68 1hn9A1 VAL 266 HA 0.01 0.12 0.69 -0.75 4.13 4.20 1hn9A1 VAL 266 HB -0.04 -0.04 0.18 -0.04 2.12 2.18 1hn9A1 VAL 266 HG13 -0.14 0.02 -0.13 -0.04 0.97 0.68 1hn9A1 VAL 266 HG23 -0.23 0.02 -0.10 -0.04 0.95 0.60 1hn9A1 VAL 267 H -0.03 0.31 0.15 -0.55 8.24 8.13 1hn9A1 VAL 267 HA -0.05 0.09 0.90 -0.75 4.13 4.31 1hn9A1 VAL 267 HB -0.03 0.08 0.12 -0.04 2.12 2.25 1hn9A1 VAL 267 HG13 -0.05 -0.04 -0.11 -0.04 0.97 0.72 1hn9A1 VAL 267 HG23 -0.00 0.04 -0.21 -0.04 0.95 0.74 1hn9A1 THR 268 H -0.12 0.09 0.17 -0.55 8.28 7.86 1hn9A1 THR 268 HA -0.24 0.30 0.96 -0.75 4.39 4.66 1hn9A1 THR 268 HB -1.00 -0.01 0.04 -0.04 4.32 3.31 1hn9A1 THR 268 HG23 -0.24 0.03 -0.19 -0.04 1.22 0.78 1hn9A1 LEU 269 H -0.11 0.03 0.12 -0.55 8.37 7.86 1hn9A1 LEU 269 HA -0.05 0.17 0.33 -0.75 4.35 4.05 1hn9A1 LEU 269 HB2 -0.08 0.17 -0.06 -0.04 1.64 1.63 1hn9A1 LEU 269 HB3 -0.08 -0.08 0.07 -0.04 1.64 1.50 1hn9A1 LEU 269 HG -0.07 0.06 -0.45 -0.04 1.64 1.14 1hn9A1 LEU 269 HD13 -0.07 0.00 -0.23 -0.04 0.93 0.60 1hn9A1 LEU 269 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.70 1hn9A1 ASP 270 H -0.07 0.09 -0.34 -0.55 8.40 7.54 1hn9A1 ASP 270 HA -0.04 0.10 0.63 -0.75 4.63 4.57 1hn9A1 ASP 270 HB2 -0.03 -0.03 0.09 -0.04 2.71 2.70 1hn9A1 ASP 270 HB3 -0.04 0.11 0.13 -0.04 2.70 2.86 1hn9A1 ARG 271 H -0.04 0.34 -0.13 -0.55 8.46 8.08 1hn9A1 ARG 271 HA 0.05 0.09 0.81 -0.75 4.34 4.53 1hn9A1 ARG 271 HB2 0.00 0.07 0.09 -0.04 1.90 2.01 1hn9A1 ARG 271 HB3 0.21 0.01 -0.00 -0.04 1.80 1.98 1hn9A1 ARG 271 HG2 0.03 0.00 -0.04 -0.04 1.67 1.63 1hn9A1 ARG 271 HG3 -0.01 -0.09 -0.12 -0.04 1.67 1.41 1hn9A1 ARG 271 HD2 0.05 0.02 -0.02 -0.04 3.22 3.23 1hn9A1 ARG 271 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.16 1hn9A1 HIS 272 H 0.07 0.21 0.07 -0.55 8.41 8.23 1hn9A1 HIS 272 HA 0.16 0.16 1.01 -0.75 4.63 5.21 1hn9A1 HIS 272 HB2 -0.02 -0.00 -0.13 -0.04 3.26 3.08 1hn9A1 HIS 272 HB3 0.01 -0.10 -0.06 -0.04 3.20 3.00 1hn9A1 HIS 272 HD2 0.08 0.01 -0.62 -0.04 6.97 6.40 1hn9A1 HIS 272 HE1 -0.09 0.03 -0.14 -0.04 7.75 7.50 1hn9A1 GLY 273 H 0.04 0.39 0.15 -0.55 8.43 8.47 1hn9A1 GLY 273 HA2 -0.02 0.06 0.35 -0.51 4.01 3.88 1hn9A1 GLY 273 HA3 0.02 0.12 0.46 -0.51 4.01 4.10 1hn9A1 ASN 274 H -0.07 0.71 0.31 -0.55 8.53 8.94 1hn9A1 ASN 274 HA -0.07 0.13 0.77 -0.75 4.76 4.83 1hn9A1 ASN 274 HB2 -0.21 0.25 0.16 -0.04 2.88 3.04 1hn9A1 ASN 274 HB3 -0.41 -0.01 0.07 -0.04 2.79 2.40 1hn9A1 ASN 274 HD21 0.31 -0.11 0.01 -0.04 7.03 7.20 1hn9A1 ASN 274 HD22 -0.18 0.17 0.08 -0.04 7.74 7.77 1hn9A1 THR 275 H 0.07 0.22 0.01 -0.55 8.28 8.03 1hn9A1 THR 275 HA 0.17 0.41 0.77 -0.75 4.39 4.99 1hn9A1 THR 275 HB 0.07 -0.08 -0.10 -0.04 4.32 4.17 1hn9A1 THR 275 HG23 0.05 0.06 -0.41 -0.04 1.22 0.88 1hn9A1 SER 276 H 0.35 0.16 -0.44 -0.55 8.46 7.98 1hn9A1 SER 276 HA 0.38 0.06 0.30 -0.75 4.49 4.47 1hn9A1 SER 276 HB2 0.22 0.11 -0.09 -0.04 3.95 4.14 1hn9A1 SER 276 HB3 0.14 0.06 -0.08 -0.04 3.93 4.02 1hn9A1 ALA 277 H 0.12 0.10 0.07 -0.55 8.40 8.13 1hn9A1 ALA 277 HA 0.15 0.06 0.34 -0.75 4.34 4.14 1hn9A1 ALA 277 HB3 0.12 0.02 -0.02 -0.04 1.41 1.50 1hn9A1 ALA 278 H 0.11 0.38 -0.44 -0.55 8.40 7.91 1hn9A1 ALA 278 HA 0.01 0.15 0.47 -0.75 4.34 4.21 1hn9A1 ALA 278 HB3 0.04 0.01 -0.15 -0.04 1.41 1.27 1hn9A1 SER 279 H 0.15 0.46 -0.54 -0.55 8.46 7.99 1hn9A1 SER 279 HA 0.06 0.08 0.21 -0.75 4.49 4.08 1hn9A1 SER 279 HB2 0.11 -0.11 0.01 -0.04 3.95 3.92 1hn9A1 SER 279 HB3 0.33 0.03 0.12 -0.04 3.93 4.38 1hn9A1 VAL 280 H 0.12 0.14 -0.10 -0.55 8.24 7.85 1hn9A1 VAL 280 HA 0.02 0.16 0.34 -0.75 4.13 3.89 1hn9A1 VAL 280 HB 0.09 -0.02 -0.00 -0.04 2.12 2.15 1hn9A1 VAL 280 HG13 0.12 0.03 -0.21 -0.04 0.97 0.86 1hn9A1 VAL 280 HG23 0.21 -0.00 -0.12 -0.04 0.95 1.00 1hn9A1 PRO 281 HA -0.37 0.09 0.38 -0.51 4.44 4.03 1hn9A1 PRO 281 HB2 -0.36 -0.05 -0.15 -0.04 2.28 1.68 1hn9A1 PRO 281 HB3 -1.51 0.05 -0.10 -0.04 2.02 0.41 1hn9A1 PRO 281 HG2 -0.24 0.15 0.09 -0.04 2.03 1.98 1hn9A1 PRO 281 HG3 -0.49 0.02 0.08 -0.04 2.03 1.61 1hn9A1 PRO 281 HD2 -0.17 -0.08 -0.33 -0.04 3.68 3.06 1hn9A1 PRO 281 HD3 -0.98 0.05 -0.00 -0.04 3.65 2.68 1hn9A1 CYS 282 H -0.10 0.49 -0.36 -0.55 8.50 7.98 1hn9A1 CYS 282 HA -0.05 0.06 0.50 -0.75 4.58 4.33 1hn9A1 CYS 282 HB2 0.05 0.11 0.05 -0.04 2.97 3.14 1hn9A1 CYS 282 HB3 0.12 -0.04 -0.07 -0.04 2.97 2.94 1hn9A1 ALA 283 H -0.05 0.48 -0.10 -0.55 8.40 8.19 1hn9A1 ALA 283 HA -0.09 0.01 0.34 -0.75 4.34 3.85 1hn9A1 ALA 283 HB3 -0.06 0.01 0.03 -0.04 1.41 1.35 1hn9A1 LEU 284 H -0.08 0.61 -0.13 -0.55 8.37 8.21 1hn9A1 LEU 284 HA -0.12 0.03 0.35 -0.75 4.35 3.85 1hn9A1 LEU 284 HB2 -0.01 0.00 0.00 -0.04 1.64 1.59 1hn9A1 LEU 284 HB3 -0.07 0.03 0.09 -0.04 1.64 1.65 1hn9A1 LEU 284 HG -0.00 0.03 -0.26 -0.04 1.64 1.37 1hn9A1 LEU 284 HD13 -0.05 -0.00 -0.10 -0.04 0.93 0.74 1hn9A1 LEU 284 HD23 0.22 -0.01 -0.12 -0.04 0.89 0.93 1hn9A1 ASP 285 H -0.08 0.57 -0.17 -0.55 8.40 8.16 1hn9A1 ASP 285 HA -0.07 0.01 0.27 -0.75 4.63 4.09 1hn9A1 ASP 285 HB2 -0.05 0.10 0.08 -0.04 2.71 2.79 1hn9A1 ASP 285 HB3 -0.05 0.06 0.02 -0.04 2.70 2.70 1hn9A1 GLU 286 H -0.08 0.47 -0.32 -0.55 8.60 8.13 1hn9A1 GLU 286 HA -0.08 0.03 0.38 -0.75 4.29 3.87 1hn9A1 GLU 286 HB2 -0.05 0.03 0.07 -0.04 2.09 2.10 1hn9A1 GLU 286 HB3 -0.11 0.09 0.08 -0.04 1.99 2.01 1hn9A1 GLU 286 HG2 -0.11 0.01 -0.21 -0.04 2.34 1.99 1hn9A1 GLU 286 HG3 -0.06 -0.02 0.01 -0.04 2.34 2.23 1hn9A1 ALA 287 H -0.20 0.52 -0.16 -0.55 8.40 8.02 1hn9A1 ALA 287 HA -0.29 0.03 0.47 -0.75 4.34 3.79 1hn9A1 ALA 287 HB3 -0.49 0.01 0.04 -0.04 1.41 0.92 1hn9A1 VAL 288 H -0.21 0.52 -0.17 -0.55 8.24 7.83 1hn9A1 VAL 288 HA -0.26 0.12 0.59 -0.75 4.13 3.82 1hn9A1 VAL 288 HB -0.13 0.05 0.11 -0.04 2.12 2.10 1hn9A1 VAL 288 HG13 -0.07 0.01 -0.17 -0.04 0.97 0.69 1hn9A1 VAL 288 HG23 -0.33 0.01 -0.07 -0.04 0.95 0.51 1hn9A1 ARG 289 H -0.12 0.60 -0.07 -0.55 8.46 8.32 1hn9A1 ARG 289 HA -0.06 0.12 0.44 -0.75 4.34 4.08 1hn9A1 ARG 289 HB2 -0.07 0.09 0.14 -0.04 1.90 2.02 1hn9A1 ARG 289 HB3 -0.05 -0.06 0.06 -0.04 1.80 1.70 1hn9A1 ARG 289 HG2 -0.04 -0.00 0.04 -0.04 1.67 1.63 1hn9A1 ARG 289 HG3 -0.05 -0.00 0.02 -0.04 1.67 1.59 1hn9A1 ARG 289 HD2 -0.04 -0.04 -0.10 -0.04 3.22 2.99 1hn9A1 ARG 289 HD3 -0.03 -0.04 -0.00 -0.04 3.22 3.10 1hn9A1 ASP 290 H -0.13 0.26 -0.32 -0.55 8.40 7.67 1hn9A1 ASP 290 HA -0.06 0.22 0.97 -0.75 4.63 5.02 1hn9A1 ASP 290 HB2 -0.06 -0.04 0.17 -0.04 2.71 2.74 1hn9A1 ASP 290 HB3 -0.07 -0.02 0.04 -0.04 2.70 2.61 1hn9A1 GLY 291 H -0.11 0.36 -0.50 -0.55 8.43 7.64 1hn9A1 GLY 291 HA2 -0.07 0.10 0.23 -0.51 4.01 3.77 1hn9A1 GLY 291 HA3 -0.04 0.06 0.46 -0.51 4.01 3.98 1hn9A1 ARG 292 H -0.21 0.10 -0.22 -0.55 8.46 7.58 1hn9A1 ARG 292 HA -0.01 0.06 0.45 -0.75 4.34 4.08 1hn9A1 ARG 292 HB2 -0.52 -0.01 0.17 -0.04 1.90 1.50 1hn9A1 ARG 292 HB3 -1.34 -0.03 -0.07 -0.04 1.80 0.32 1hn9A1 ARG 292 HG2 0.04 0.02 0.02 -0.04 1.67 1.71 1hn9A1 ARG 292 HG3 -0.12 0.02 -0.04 -0.04 1.67 1.49 1hn9A1 ARG 292 HD2 -0.58 0.00 -0.04 -0.04 3.22 2.56 1hn9A1 ARG 292 HD3 -0.05 -0.01 -0.00 -0.04 3.22 3.11 1hn9A1 ILE 293 H -0.42 0.44 -0.11 -0.55 8.25 7.60 1hn9A1 ILE 293 HA -0.21 0.05 0.55 -0.75 4.18 3.81 1hn9A1 ILE 293 HB -0.49 -0.02 -0.11 -0.04 1.89 1.23 1hn9A1 ILE 293 HG12 -0.82 0.03 -0.18 -0.04 1.49 0.48 1hn9A1 ILE 293 HG13 -1.07 -0.05 -0.24 -0.04 1.21 -0.19 1hn9A1 ILE 293 HG23 -0.64 -0.01 -0.24 -0.04 0.93 0.00 1hn9A1 ILE 293 HD13 -0.46 -0.01 -0.15 -0.04 0.88 0.22 1hn9A1 LYS 294 H 0.15 0.12 0.14 -0.55 8.42 8.27 1hn9A1 LYS 294 HA 0.01 0.26 0.87 -0.75 4.32 4.71 1hn9A1 LYS 294 HB2 0.11 -0.06 0.03 -0.04 1.87 1.91 1hn9A1 LYS 294 HB3 0.06 0.03 0.09 -0.04 1.79 1.93 1hn9A1 LYS 294 HG2 0.04 0.06 -0.15 -0.04 1.46 1.36 1hn9A1 LYS 294 HG3 0.11 0.14 -0.28 -0.04 1.46 1.39 1hn9A1 LYS 294 HD2 0.07 -0.06 0.01 -0.04 1.69 1.67 1hn9A1 LYS 294 HD3 0.06 -0.03 0.01 -0.04 1.68 1.68 1hn9A1 LYS 294 HE2 0.18 -0.05 0.05 -0.04 2.99 3.14 1hn9A1 LYS 294 HE3 0.10 -0.10 0.03 -0.04 2.99 2.98 1hn9A1 PRO 295 HA 0.12 0.28 0.48 -0.51 4.44 4.81 1hn9A1 PRO 295 HB2 0.05 -0.03 0.10 -0.04 2.28 2.36 1hn9A1 PRO 295 HB3 0.06 0.04 0.09 -0.04 2.02 2.18 1hn9A1 PRO 295 HG2 0.04 0.01 0.10 -0.04 2.03 2.13 1hn9A1 PRO 295 HG3 0.06 0.10 0.09 -0.04 2.03 2.25 1hn9A1 PRO 295 HD2 0.04 0.07 0.21 -0.04 3.68 3.97 1hn9A1 PRO 295 HD3 0.03 0.20 0.22 -0.04 3.65 4.06 1hn9A1 GLY 296 H 0.11 0.05 0.15 -0.55 8.43 8.20 1hn9A1 GLY 296 HA2 0.06 -0.00 0.35 -0.51 4.01 3.90 1hn9A1 GLY 296 HA3 0.06 0.16 0.65 -0.51 4.01 4.37 1hn9A1 GLN 297 H 0.15 0.55 -0.26 -0.55 8.47 8.36 1hn9A1 GLN 297 HA 0.11 0.14 0.58 -0.75 4.36 4.43 1hn9A1 GLN 297 HB2 0.23 0.06 0.09 -0.04 2.15 2.49 1hn9A1 GLN 297 HB3 0.26 -0.03 0.03 -0.04 2.02 2.24 1hn9A1 GLN 297 HG2 0.10 0.01 -0.01 -0.04 2.40 2.45 1hn9A1 GLN 297 HG3 0.13 0.10 -0.11 -0.04 2.39 2.47 1hn9A1 GLN 297 HE21 0.18 0.06 0.05 -0.04 6.97 7.22 1hn9A1 GLN 297 HE22 0.06 -0.02 0.02 -0.04 7.69 7.70 1hn9A1 LEU 298 H 0.11 0.19 0.27 -0.55 8.37 8.39 1hn9A1 LEU 298 HA 0.14 0.23 0.86 -0.75 4.35 4.83 1hn9A1 LEU 298 HB2 0.06 0.10 0.22 -0.04 1.64 1.98 1hn9A1 LEU 298 HB3 0.07 -0.15 0.16 -0.04 1.64 1.68 1hn9A1 LEU 298 HG 0.04 0.03 -0.04 -0.04 1.64 1.64 1hn9A1 LEU 298 HD13 0.04 0.01 -0.18 -0.04 0.93 0.76 1hn9A1 LEU 298 HD23 0.07 0.00 -0.17 -0.04 0.89 0.75 1hn9A1 VAL 299 H 0.23 0.89 0.41 -0.55 8.24 9.22 1hn9A1 VAL 299 HA 0.24 0.23 1.07 -0.75 4.13 4.92 1hn9A1 VAL 299 HB 0.44 -0.01 0.06 -0.04 2.12 2.57 1hn9A1 VAL 299 HG13 0.18 -0.02 -0.26 -0.04 0.97 0.83 1hn9A1 VAL 299 HG23 0.23 0.01 -0.29 -0.04 0.95 0.86 1hn9A1 LEU 300 H 0.16 0.68 0.38 -0.55 8.37 9.04 1hn9A1 LEU 300 HA 0.13 0.26 1.14 -0.75 4.35 5.12 1hn9A1 LEU 300 HB2 0.09 0.02 0.03 -0.04 1.64 1.73 1hn9A1 LEU 300 HB3 0.10 0.00 0.20 -0.04 1.64 1.90 1hn9A1 LEU 300 HG 0.10 -0.09 -0.33 -0.04 1.64 1.28 1hn9A1 LEU 300 HD13 0.09 0.04 -0.01 -0.04 0.93 1.02 1hn9A1 LEU 300 HD23 0.06 -0.01 -0.06 -0.04 0.89 0.84 1hn9A1 LEU 301 H 0.14 0.74 0.42 -0.55 8.37 9.13 1hn9A1 LEU 301 HA 0.14 0.34 0.98 -0.75 4.35 5.05 1hn9A1 LEU 301 HB2 0.18 -0.11 0.06 -0.04 1.64 1.72 1hn9A1 LEU 301 HB3 0.20 -0.04 0.04 -0.04 1.64 1.79 1hn9A1 LEU 301 HG 0.19 0.08 -0.11 -0.04 1.64 1.76 1hn9A1 LEU 301 HD13 0.28 -0.02 -0.15 -0.04 0.93 0.99 1hn9A1 LEU 301 HD23 0.16 0.01 -0.18 -0.04 0.89 0.84 1hn9A1 GLU 302 H 0.15 0.42 0.33 -0.55 8.60 8.96 1hn9A1 GLU 302 HA 0.17 0.27 0.78 -0.75 4.29 4.75 1hn9A1 GLU 302 HB2 0.16 -0.04 0.14 -0.04 2.09 2.30 1hn9A1 GLU 302 HB3 0.14 0.12 0.09 -0.04 1.99 2.30 1hn9A1 GLU 302 HG2 0.09 0.08 -0.15 -0.04 2.34 2.32 1hn9A1 GLU 302 HG3 0.11 -0.01 -0.23 -0.04 2.34 2.17 1hn9A1 ALA 303 H 0.22 0.65 0.43 -0.55 8.40 9.16 1hn9A1 ALA 303 HA 0.25 0.01 0.66 -0.75 4.34 4.50 1hn9A1 ALA 303 HB3 0.13 0.03 -0.04 -0.04 1.41 1.48 1hn9A1 PHE 304 H 0.16 0.26 0.19 -0.55 8.34 8.39 1hn9A1 PHE 304 HA 0.19 0.28 0.95 -0.75 4.62 5.28 1hn9A1 PHE 304 HB2 -0.05 0.06 -0.05 -0.04 3.15 3.07 1hn9A1 PHE 304 HB3 -0.06 -0.06 0.05 -0.04 3.06 2.96 1hn9A1 PHE 304 HD2 -0.30 -0.03 -0.19 -0.04 7.28 6.72 1hn9A1 PHE 304 HE2 -0.96 -0.01 -0.15 -0.04 7.38 6.22 1hn9A1 PHE 304 HZ -1.90 -0.02 -0.10 -0.04 7.32 5.25 1hn9A1 GLY 305 H -0.62 0.78 0.34 -0.55 8.43 8.37 1hn9A1 GLY 305 HA2 0.00 0.14 0.56 -0.51 4.01 4.21 1hn9A1 GLY 305 HA3 -0.08 -0.24 0.41 -0.51 4.01 3.59 1hn9A1 GLY 306 H 0.06 -0.03 0.17 -0.55 8.43 8.08 1hn9A1 GLY 306 HA2 0.30 0.09 0.39 -0.51 4.01 4.28 1hn9A1 GLY 306 HA3 0.12 0.09 0.29 -0.51 4.01 4.01 1hn9A1 GLY 307 H 0.24 0.23 0.05 -0.55 8.43 8.40 1hn9A1 GLY 307 HA2 0.06 0.04 0.33 -0.51 4.01 3.93 1hn9A1 GLY 307 HA3 0.09 0.13 0.42 -0.51 4.01 4.15 1hn9A1 PHE 308 H 0.18 0.18 0.08 -0.55 8.34 8.22 1hn9A1 PHE 308 HA -0.03 0.10 0.14 -0.75 4.62 4.08 1hn9A1 PHE 308 HB2 0.40 0.02 0.07 -0.04 3.15 3.60 1hn9A1 PHE 308 HB3 -0.08 0.06 -0.08 -0.04 3.06 2.92 1hn9A1 PHE 308 HD2 -0.16 -0.05 -0.01 -0.04 7.28 7.01 1hn9A1 PHE 308 HE2 -0.17 -0.01 -0.09 -0.04 7.38 7.07 1hn9A1 PHE 308 HZ 0.08 -0.03 -0.07 -0.04 7.32 7.26 1hn9A1 THR 309 H -0.09 0.55 0.09 -0.55 8.28 8.29 1hn9A1 THR 309 HA 0.06 0.25 1.01 -0.75 4.39 4.95 1hn9A1 THR 309 HB -0.08 0.05 0.00 -0.04 4.32 4.26 1hn9A1 THR 309 HG23 -0.15 -0.01 -0.12 -0.04 1.22 0.89 1hn9A1 TRP 310 H -0.03 0.75 0.35 -0.55 7.97 8.49 1hn9A1 TRP 310 HA 0.07 0.05 0.58 -0.75 4.62 4.57 1hn9A1 TRP 310 HB2 0.22 0.13 0.21 -0.04 3.23 3.75 1hn9A1 TRP 310 HB3 0.13 -0.04 0.09 -0.04 3.23 3.36 1hn9A1 TRP 310 HD1 0.23 0.06 -0.19 -0.04 7.22 7.28 1hn9A1 TRP 310 HE1 0.10 0.05 -0.11 -0.04 10.20 10.21 1hn9A1 TRP 310 HE3 -0.11 -0.12 -0.69 -0.04 7.59 6.63 1hn9A1 TRP 310 HZ2 0.08 0.06 -0.12 -0.04 7.44 7.42 1hn9A1 TRP 310 HZ3 0.27 -0.05 -0.31 -0.04 7.13 7.00 1hn9A1 TRP 310 HH2 0.24 0.03 -0.24 -0.04 7.19 7.18 1hn9A1 GLY 311 H 0.33 0.55 0.42 -0.55 8.43 9.18 1hn9A1 GLY 311 HA2 0.07 0.29 0.81 -0.51 4.01 4.67 1hn9A1 GLY 311 HA3 0.06 -0.05 0.40 -0.51 4.01 3.91 1hn9A1 SER 312 H 0.07 0.59 0.43 -0.55 8.46 9.01 1hn9A1 SER 312 HA 0.15 0.15 0.78 -0.75 4.49 4.82 1hn9A1 SER 312 HB2 0.14 0.14 0.17 -0.04 3.95 4.35 1hn9A1 SER 312 HB3 0.17 -0.07 -0.20 -0.04 3.93 3.79 1hn9A1 ALA 313 H 0.14 0.63 0.39 -0.55 8.40 9.01 1hn9A1 ALA 313 HA 0.09 0.26 0.88 -0.75 4.34 4.82 1hn9A1 ALA 313 HB3 0.08 -0.01 -0.03 -0.04 1.41 1.41 1hn9A1 LEU 314 H 0.10 0.62 0.33 -0.55 8.37 8.87 1hn9A1 LEU 314 HA 0.11 0.21 1.03 -0.75 4.35 4.94 1hn9A1 LEU 314 HB2 0.11 -0.01 -0.02 -0.04 1.64 1.67 1hn9A1 LEU 314 HB3 0.09 -0.06 0.18 -0.04 1.64 1.81 1hn9A1 LEU 314 HG 0.06 0.01 -0.21 -0.04 1.64 1.45 1hn9A1 LEU 314 HD13 0.08 0.02 -0.12 -0.04 0.93 0.87 1hn9A1 LEU 314 HD23 0.06 0.02 -0.10 -0.04 0.89 0.82 1hn9A1 VAL 315 H 0.12 0.85 0.36 -0.55 8.24 9.02 1hn9A1 VAL 315 HA -0.02 0.27 1.23 -0.75 4.13 4.85 1hn9A1 VAL 315 HB 0.18 -0.02 0.00 -0.04 2.12 2.24 1hn9A1 VAL 315 HG13 -0.57 -0.01 -0.38 -0.04 0.97 -0.02 1hn9A1 VAL 315 HG23 0.07 -0.01 -0.30 -0.04 0.95 0.66 1hn9A1 ARG 316 H -0.08 0.76 0.23 -0.55 8.46 8.83 1hn9A1 ARG 316 HA 0.09 0.24 0.84 -0.75 4.34 4.76 1hn9A1 ARG 316 HB2 -0.01 -0.04 -0.02 -0.04 1.90 1.79 1hn9A1 ARG 316 HB3 -0.06 0.09 -0.10 -0.04 1.80 1.70 1hn9A1 ARG 316 HG2 -0.02 0.07 -0.00 -0.04 1.67 1.68 1hn9A1 ARG 316 HG3 0.04 -0.04 -0.15 -0.04 1.67 1.48 1hn9A1 ARG 316 HD2 0.00 -0.04 -0.05 -0.04 3.22 3.09 1hn9A1 ARG 316 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 1hn9A1 PHE 317 H 0.32 0.79 0.10 -0.55 8.34 8.99 1hn9A1 PHE 317 HA 0.03 0.14 0.58 -0.75 4.62 4.62 1hn9A1 PHE 317 HB2 0.06 0.12 -0.01 -0.04 3.15 3.28 1hn9A1 PHE 317 HB3 0.03 0.02 -0.08 -0.04 3.06 2.99 1hn9A1 PHE 317 HD2 0.05 0.11 -0.12 -0.04 7.28 7.27 1hn9A1 PHE 317 HE2 0.04 -0.00 -0.12 -0.04 7.38 7.26 1hn9A1 PHE 317 HZ 0.05 -0.08 -0.13 -0.04 7.32 7.12