============================================================================= 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. PHE 29 1.000 40.721 7.752 67.652 -99.200 -91.000 TYR 32 0.840 35.813 -0.736 69.507 -99.200 -91.000 TRP 36 1.040 47.088 4.499 58.820 -99.200 -91.000 TRP6 36 1.020 46.029 6.110 57.444 -99.200 -91.000 TRP 47 1.040 48.145 -4.447 58.787 -99.200 -91.000 TRP6 47 1.020 50.031 -4.926 60.130 -99.200 -91.000 TYR 60 0.840 54.938 1.471 63.349 -99.200 -91.000 PHE 64 1.000 55.271 -0.706 54.246 -99.200 -91.000 TYR 80 0.840 46.894 13.113 62.523 -99.200 -91.000 TYR 94 0.840 50.113 5.052 50.967 -99.200 -91.000 TYR 95 0.840 41.713 2.005 50.093 -99.200 -91.000 TRP 104 1.040 20.984 -5.210 66.411 -99.200 -91.000 TRP6 104 1.020 19.102 -5.563 67.800 -99.200 -91.000 TRP 106 1.040 28.462 0.437 64.031 -99.200 -91.000 TRP6 106 1.020 26.330 1.442 63.848 -99.200 -91.000 PHE 114 1.000 42.436 -4.619 58.760 -99.200 -91.000 HIS 116 0.900 33.075 -0.117 60.890 -99.200 -91.000 TRP 117 1.040 37.979 -1.546 54.707 -99.200 -91.000 TRP6 117 1.020 40.172 -1.984 53.941 -99.200 -91.000 PHE 136 1.000 47.739 16.373 20.390 -99.200 -91.000 TYR 159 0.840 46.438 12.985 32.467 -99.200 -91.000 PHE 160 1.000 52.332 14.748 38.395 -99.200 -91.000 TRP 168 1.040 33.600 9.992 23.996 -99.200 -91.000 TRP6 168 1.020 34.560 10.762 21.977 -99.200 -91.000 HIS 178 0.900 34.903 -0.209 25.343 -99.200 -91.000 PHE 180 1.000 40.995 1.724 25.862 -99.200 -91.000 TYR 190 0.840 49.957 9.760 35.737 -99.200 -91.000 TYR 208 0.840 29.641 10.322 16.687 -99.200 -91.000 HIS 214 0.900 44.945 17.624 34.740 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fx7H1 GLN 1 HA -2.86 -0.10 0.17 -0.75 4.36 0.81 2fx7H1 GLN 1 HB2 -0.39 -0.01 -0.03 -0.04 2.15 1.68 2fx7H1 GLN 1 HB3 -0.54 0.06 -0.08 -0.04 2.02 1.42 2fx7H1 GLN 1 HG2 -0.10 0.01 -0.01 -0.04 2.40 2.26 2fx7H1 GLN 1 HG3 -0.25 -0.02 0.01 -0.04 2.39 2.09 2fx7H1 GLN 1 HE21 -0.05 -0.02 0.00 -0.04 6.97 6.86 2fx7H1 GLN 1 HE22 -0.12 0.03 -0.01 -0.04 7.69 7.55 2fx7H1 VAL 2 H -1.55 0.04 0.04 -0.55 8.24 6.21 2fx7H1 VAL 2 HA -0.44 0.31 0.60 -0.75 4.13 3.85 2fx7H1 VAL 2 HB -1.29 -0.07 0.09 -0.04 2.12 0.81 2fx7H1 VAL 2 HG13 -0.39 0.01 -0.23 -0.04 0.97 0.33 2fx7H1 VAL 2 HG23 -0.47 0.01 -0.12 -0.04 0.95 0.32 2fx7H1 GLN 3 H -0.23 0.63 0.42 -0.55 8.47 8.74 2fx7H1 GLN 3 HA -0.13 0.14 0.93 -0.75 4.36 4.55 2fx7H1 GLN 3 HB2 -0.15 0.04 -0.13 -0.04 2.15 1.87 2fx7H1 GLN 3 HB3 -0.12 -0.00 0.09 -0.04 2.02 1.95 2fx7H1 GLN 3 HG2 -0.06 -0.01 -0.33 -0.04 2.40 1.96 2fx7H1 GLN 3 HG3 -0.05 0.01 0.02 -0.04 2.39 2.33 2fx7H1 GLN 3 HE21 -0.04 -0.04 -0.03 -0.04 6.97 6.82 2fx7H1 GLN 3 HE22 -0.03 0.02 -0.02 -0.04 7.69 7.62 2fx7H1 LEU 4 H -0.04 0.25 0.10 -0.55 8.37 8.14 2fx7H1 LEU 4 HA -0.07 0.36 0.93 -0.75 4.35 4.81 2fx7H1 LEU 4 HB2 -0.02 0.02 -0.20 -0.04 1.64 1.39 2fx7H1 LEU 4 HB3 -0.09 -0.06 -0.18 -0.04 1.64 1.27 2fx7H1 LEU 4 HG -0.07 -0.02 -0.43 -0.04 1.64 1.08 2fx7H1 LEU 4 HD13 -0.14 -0.04 -0.42 -0.04 0.93 0.28 2fx7H1 LEU 4 HD23 -0.08 0.04 -0.25 -0.04 0.89 0.56 2fx7H1 VAL 5 H -0.05 0.72 0.29 -0.55 8.24 8.65 2fx7H1 VAL 5 HA 0.00 0.11 1.12 -0.75 4.13 4.60 2fx7H1 VAL 5 HB -0.03 -0.01 0.16 -0.04 2.12 2.20 2fx7H1 VAL 5 HG13 -0.00 0.02 -0.07 -0.04 0.97 0.88 2fx7H1 VAL 5 HG23 -0.03 0.01 -0.15 -0.04 0.95 0.74 2fx7H1 GLN 6 H 0.03 0.08 0.22 -0.55 8.47 8.26 2fx7H1 GLN 6 HA 0.05 0.26 0.99 -0.75 4.36 4.91 2fx7H1 GLN 6 HB2 0.07 0.03 0.04 -0.04 2.15 2.25 2fx7H1 GLN 6 HB3 0.13 0.10 0.12 -0.04 2.02 2.33 2fx7H1 GLN 6 HG2 0.07 0.10 0.01 -0.04 2.40 2.54 2fx7H1 GLN 6 HG3 0.04 -0.16 -0.01 -0.04 2.39 2.21 2fx7H1 GLN 6 HE21 0.23 0.60 0.22 -0.04 6.97 7.97 2fx7H1 GLN 6 HE22 0.26 0.09 -0.06 -0.04 7.69 7.94 2fx7H1 SER 7 H 0.08 0.25 0.28 -0.55 8.46 8.52 2fx7H1 SER 7 HA 0.03 0.05 0.50 -0.75 4.49 4.32 2fx7H1 SER 7 HB2 0.03 0.07 0.17 -0.04 3.95 4.17 2fx7H1 SER 7 HB3 0.04 -0.03 0.16 -0.04 3.93 4.06 2fx7H1 GLY 8 H 0.01 0.04 0.17 -0.55 8.43 8.10 2fx7H1 GLY 8 HA2 0.01 0.08 0.45 -0.51 4.01 4.04 2fx7H1 GLY 8 HA3 0.00 0.02 0.39 -0.51 4.01 3.91 2fx7H1 ALA 9 H -0.01 0.04 0.20 -0.55 8.40 8.09 2fx7H1 ALA 9 HA 0.00 0.10 0.49 -0.75 4.34 4.18 2fx7H1 ALA 9 HB3 -0.02 -0.01 0.15 -0.04 1.41 1.49 2fx7H1 GLU 10 H -0.00 0.61 0.41 -0.55 8.60 9.07 2fx7H1 GLU 10 HA -0.00 0.13 0.86 -0.75 4.29 4.52 2fx7H1 GLU 10 HB2 -0.03 -0.04 0.02 -0.04 2.09 1.99 2fx7H1 GLU 10 HB3 -0.02 0.01 -0.06 -0.04 1.99 1.89 2fx7H1 GLU 10 HG2 -0.01 0.01 0.03 -0.04 2.34 2.32 2fx7H1 GLU 10 HG3 -0.01 0.21 -0.42 -0.04 2.34 2.08 2fx7H1 VAL 11 H 0.03 0.22 0.19 -0.55 8.24 8.13 2fx7H1 VAL 11 HA 0.09 0.23 1.01 -0.75 4.13 4.70 2fx7H1 VAL 11 HB 0.11 -0.03 0.14 -0.04 2.12 2.30 2fx7H1 VAL 11 HG13 0.31 0.02 -0.14 -0.04 0.97 1.12 2fx7H1 VAL 11 HG23 0.03 -0.02 -0.07 -0.04 0.95 0.85 2fx7H1 LYS 12 H 0.07 0.72 0.32 -0.55 8.42 8.97 2fx7H1 LYS 12 HA 0.02 0.14 0.94 -0.75 4.32 4.66 2fx7H1 LYS 12 HB2 0.00 -0.03 -0.15 -0.04 1.87 1.65 2fx7H1 LYS 12 HB3 -0.01 0.01 -0.12 -0.04 1.79 1.63 2fx7H1 LYS 12 HG2 -0.01 -0.06 -0.50 -0.04 1.46 0.84 2fx7H1 LYS 12 HG3 -0.05 -0.03 -0.24 -0.04 1.46 1.09 2fx7H1 LYS 12 HD2 -0.01 0.21 -0.10 -0.04 1.69 1.75 2fx7H1 LYS 12 HD3 -0.03 -0.05 -0.13 -0.04 1.68 1.43 2fx7H1 LYS 12 HE2 -0.05 0.06 -0.18 -0.04 2.99 2.78 2fx7H1 LYS 12 HE3 -0.02 -0.07 -0.02 -0.04 2.99 2.83 2fx7H1 ARG 13 H 0.01 0.08 0.12 -0.55 8.46 8.12 2fx7H1 ARG 13 HA 0.01 0.32 0.52 -0.75 4.34 4.43 2fx7H1 ARG 13 HB2 -0.00 -0.08 0.05 -0.04 1.90 1.82 2fx7H1 ARG 13 HB3 -0.01 0.08 0.06 -0.04 1.80 1.89 2fx7H1 ARG 13 HG2 0.01 -0.06 0.07 -0.04 1.67 1.65 2fx7H1 ARG 13 HG3 -0.00 -0.02 0.04 -0.04 1.67 1.64 2fx7H1 ARG 13 HD2 -0.01 -0.04 0.10 -0.04 3.22 3.23 2fx7H1 ARG 13 HD3 0.01 0.19 -0.01 -0.04 3.22 3.37 2fx7H1 PRO 14 HA 0.01 0.11 0.30 -0.51 4.44 4.35 2fx7H1 PRO 14 HB2 -0.01 -0.00 0.04 -0.04 2.28 2.27 2fx7H1 PRO 14 HB3 0.00 0.04 0.07 -0.04 2.02 2.09 2fx7H1 PRO 14 HG2 -0.01 0.01 -0.01 -0.04 2.03 1.98 2fx7H1 PRO 14 HG3 0.00 0.03 -0.12 -0.04 2.03 1.90 2fx7H1 PRO 14 HD2 -0.01 0.09 0.09 -0.04 3.68 3.81 2fx7H1 PRO 14 HD3 -0.00 0.20 -0.16 -0.04 3.65 3.64 2fx7H1 GLY 15 H -0.00 0.73 0.21 -0.55 8.43 8.82 2fx7H1 GLY 15 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.80 2fx7H1 GLY 15 HA3 -0.01 0.10 0.59 -0.51 4.01 4.18 2fx7H1 SER 16 H -0.01 0.46 -0.40 -0.55 8.46 7.96 2fx7H1 SER 16 HA -0.02 0.10 0.56 -0.75 4.49 4.38 2fx7H1 SER 16 HB2 -0.02 -0.06 0.17 -0.04 3.95 4.00 2fx7H1 SER 16 HB3 -0.01 -0.00 0.02 -0.04 3.93 3.90 2fx7H1 SER 17 H -0.04 0.19 0.20 -0.55 8.46 8.26 2fx7H1 SER 17 HA -0.07 0.32 1.04 -0.75 4.49 5.02 2fx7H1 SER 17 HB2 -0.06 -0.04 0.05 -0.04 3.95 3.86 2fx7H1 SER 17 HB3 -0.08 0.04 -0.09 -0.04 3.93 3.76 2fx7H1 VAL 18 H -0.13 0.58 0.30 -0.55 8.24 8.44 2fx7H1 VAL 18 HA -0.10 0.18 0.96 -0.75 4.13 4.42 2fx7H1 VAL 18 HB -0.12 0.00 -0.16 -0.04 2.12 1.80 2fx7H1 VAL 18 HG13 -0.28 0.04 -0.03 -0.04 0.97 0.65 2fx7H1 VAL 18 HG23 -0.16 0.01 -0.16 -0.04 0.95 0.60 2fx7H1 THR 19 H -0.11 0.24 0.15 -0.55 8.28 8.02 2fx7H1 THR 19 HA -0.18 0.40 1.11 -0.75 4.39 4.96 2fx7H1 THR 19 HB -0.06 -0.02 0.08 -0.04 4.32 4.27 2fx7H1 THR 19 HG23 -0.02 -0.02 -0.22 -0.04 1.22 0.93 2fx7H1 VAL 20 H -0.29 0.63 0.33 -0.55 8.24 8.37 2fx7H1 VAL 20 HA -0.05 0.18 0.94 -0.75 4.13 4.44 2fx7H1 VAL 20 HB -0.59 -0.06 0.05 -0.04 2.12 1.48 2fx7H1 VAL 20 HG13 0.16 0.04 -0.05 -0.04 0.97 1.09 2fx7H1 VAL 20 HG23 -0.30 0.02 -0.20 -0.04 0.95 0.43 2fx7H1 SER 21 H 0.09 0.11 0.23 -0.55 8.46 8.34 2fx7H1 SER 21 HA 0.03 0.35 1.13 -0.75 4.49 5.24 2fx7H1 SER 21 HB2 -0.19 0.02 0.04 -0.04 3.95 3.77 2fx7H1 SER 21 HB3 0.18 -0.00 -0.06 -0.04 3.93 4.01 2fx7H1 CYS 22 H -0.09 0.47 0.24 -0.55 8.50 8.57 2fx7H1 CYS 22 HA 0.01 0.19 0.69 -0.75 4.58 4.71 2fx7H1 CYS 22 HB2 -0.08 0.01 -0.23 -0.04 2.97 2.63 2fx7H1 CYS 22 HB3 -0.03 -0.01 0.09 -0.04 2.97 2.98 2fx7H1 LYS 23 H -0.05 0.73 0.31 -0.55 8.42 8.85 2fx7H1 LYS 23 HA -0.14 0.21 1.08 -0.75 4.32 4.72 2fx7H1 LYS 23 HB2 -0.08 -0.09 0.08 -0.04 1.87 1.74 2fx7H1 LYS 23 HB3 -0.06 -0.04 0.19 -0.04 1.79 1.84 2fx7H1 LYS 23 HG2 -0.10 0.11 -0.18 -0.04 1.46 1.24 2fx7H1 LYS 23 HG3 -0.13 0.16 0.05 -0.04 1.46 1.50 2fx7H1 LYS 23 HD2 -0.05 -0.07 -0.01 -0.04 1.69 1.51 2fx7H1 LYS 23 HD3 -0.06 -0.06 -0.04 -0.04 1.68 1.49 2fx7H1 LYS 23 HE2 -0.05 -0.08 -0.02 -0.04 2.99 2.80 2fx7H1 LYS 23 HE3 -0.07 0.03 -0.04 -0.04 2.99 2.87 2fx7H1 ALA 24 H -0.16 0.74 0.46 -0.55 8.40 8.89 2fx7H1 ALA 24 HA -0.07 0.35 1.07 -0.75 4.34 4.93 2fx7H1 ALA 24 HB3 0.04 -0.02 0.02 -0.04 1.41 1.41 2fx7H1 SER 25 H -0.10 0.48 0.37 -0.55 8.46 8.67 2fx7H1 SER 25 HA -0.08 0.06 0.77 -0.75 4.49 4.49 2fx7H1 SER 25 HB2 -0.08 -0.05 0.06 -0.04 3.95 3.84 2fx7H1 SER 25 HB3 -0.08 0.02 -0.12 -0.04 3.93 3.71 2fx7H1 GLY 26 H -0.06 0.05 0.07 -0.55 8.43 7.94 2fx7H1 GLY 26 HA2 -0.07 -0.08 0.35 -0.51 4.01 3.70 2fx7H1 GLY 26 HA3 -0.21 0.36 0.55 -0.51 4.01 4.21 2fx7H1 GLY 27 H 0.04 0.02 0.04 -0.55 8.43 7.98 2fx7H1 GLY 27 HA2 0.17 -0.08 0.24 -0.51 4.01 3.83 2fx7H1 GLY 27 HA3 0.08 0.18 0.33 -0.51 4.01 4.08 2fx7H1 SER 28 H 0.31 0.20 0.14 -0.55 8.46 8.56 2fx7H1 SER 28 HA 0.17 0.09 0.65 -0.75 4.49 4.65 2fx7H1 SER 28 HB2 0.38 0.08 0.06 -0.04 3.95 4.43 2fx7H1 SER 28 HB3 0.09 -0.17 0.04 -0.04 3.93 3.85 2fx7H1 PHE 29 H 0.23 0.01 0.18 -0.55 8.34 8.21 2fx7H1 PHE 29 HA 0.08 0.32 0.88 -0.75 4.62 5.15 2fx7H1 PHE 29 HB2 0.01 0.15 -0.04 -0.04 3.15 3.23 2fx7H1 PHE 29 HB3 0.02 -0.06 0.13 -0.04 3.06 3.10 2fx7H1 PHE 29 HD2 0.00 0.02 -0.09 -0.04 7.28 7.18 2fx7H1 PHE 29 HE2 -0.01 -0.03 -0.33 -0.04 7.38 6.97 2fx7H1 PHE 29 HZ 0.01 0.00 -0.36 -0.04 7.32 6.93 2fx7H1 SER 30 H 0.11 0.03 0.15 -0.55 8.46 8.21 2fx7H1 SER 30 HA -0.23 0.12 0.50 -0.75 4.49 4.12 2fx7H1 SER 30 HB2 0.01 0.01 0.11 -0.04 3.95 4.04 2fx7H1 SER 30 HB3 -0.01 0.01 0.05 -0.04 3.93 3.93 2fx7H1 THR 31 H -0.15 0.06 -0.21 -0.55 8.28 7.42 2fx7H1 THR 31 HA -0.16 0.20 0.98 -0.75 4.39 4.66 2fx7H1 THR 31 HB -0.30 0.05 0.15 -0.04 4.32 4.18 2fx7H1 THR 31 HG23 -0.11 -0.01 -0.08 -0.04 1.22 0.98 2fx7H1 TYR 32 H -0.10 0.26 -0.32 -0.55 8.29 7.58 2fx7H1 TYR 32 HA -0.02 0.14 0.93 -0.75 4.56 4.86 2fx7H1 TYR 32 HB2 -0.03 0.09 -0.01 -0.04 3.06 3.07 2fx7H1 TYR 32 HB3 0.00 0.05 0.01 -0.04 2.98 3.01 2fx7H1 TYR 32 HD2 0.03 0.10 -0.03 -0.04 7.15 7.22 2fx7H1 TYR 32 HE2 0.06 -0.07 0.01 -0.04 6.85 6.81 2fx7H1 ALA 33 H 0.13 0.08 0.16 -0.55 8.40 8.22 2fx7H1 ALA 33 HA -0.01 0.22 0.66 -0.75 4.34 4.44 2fx7H1 ALA 33 HB3 0.06 -0.01 0.03 -0.04 1.41 1.46 2fx7H1 LEU 34 H -0.05 0.62 0.42 -0.55 8.37 8.82 2fx7H1 LEU 34 HA -0.21 0.24 1.07 -0.75 4.35 4.69 2fx7H1 LEU 34 HB2 -0.14 0.05 -0.00 -0.04 1.64 1.51 2fx7H1 LEU 34 HB3 -0.10 -0.04 0.18 -0.04 1.64 1.65 2fx7H1 LEU 34 HG -0.10 -0.04 -0.07 -0.04 1.64 1.39 2fx7H1 LEU 34 HD13 -0.47 0.01 -0.28 -0.04 0.93 0.15 2fx7H1 LEU 34 HD23 -0.30 0.06 -0.20 -0.04 0.89 0.41 2fx7H1 SER 35 H -0.47 0.85 0.43 -0.55 8.46 8.72 2fx7H1 SER 35 HA -0.05 0.19 1.26 -0.75 4.49 5.14 2fx7H1 SER 35 HB2 -0.78 0.00 0.01 -0.04 3.95 3.15 2fx7H1 SER 35 HB3 0.05 0.00 0.06 -0.04 3.93 4.00 2fx7H1 TRP 36 H -0.05 0.62 0.44 -0.55 7.97 8.44 2fx7H1 TRP 36 HA -0.10 0.35 1.10 -0.75 4.62 5.22 2fx7H1 TRP 36 HB2 -0.19 -0.05 0.11 -0.04 3.23 3.06 2fx7H1 TRP 36 HB3 -0.06 0.02 -0.04 -0.04 3.23 3.11 2fx7H1 TRP 36 HD1 -0.07 -0.00 -0.22 -0.04 7.22 6.89 2fx7H1 TRP 36 HE1 -0.02 0.01 -0.34 -0.04 10.20 9.81 2fx7H1 TRP 36 HE3 0.06 0.06 -0.32 -0.04 7.59 7.35 2fx7H1 TRP 36 HZ2 -0.05 0.06 -0.43 -0.04 7.44 6.98 2fx7H1 TRP 36 HZ3 0.03 0.03 -0.33 -0.04 7.13 6.82 2fx7H1 TRP 36 HH2 -0.03 0.03 -0.54 -0.04 7.19 6.61 2fx7H1 VAL 37 H 0.21 0.77 0.34 -0.55 8.24 9.01 2fx7H1 VAL 37 HA 0.17 0.20 1.03 -0.75 4.13 4.77 2fx7H1 VAL 37 HB 0.39 0.00 0.00 -0.04 2.12 2.48 2fx7H1 VAL 37 HG13 0.42 0.01 -0.24 -0.04 0.97 1.12 2fx7H1 VAL 37 HG23 0.31 -0.03 -0.26 -0.04 0.95 0.92 2fx7H1 ARG 38 H 0.10 0.54 0.34 -0.55 8.46 8.88 2fx7H1 ARG 38 HA -0.04 0.32 1.26 -0.75 4.34 5.13 2fx7H1 ARG 38 HB2 -0.90 0.04 -0.04 -0.04 1.90 0.96 2fx7H1 ARG 38 HB3 -0.55 -0.07 -0.10 -0.04 1.80 1.04 2fx7H1 ARG 38 HG2 -0.06 -0.00 0.01 -0.04 1.67 1.58 2fx7H1 ARG 38 HG3 -0.07 -0.01 -0.28 -0.04 1.67 1.26 2fx7H1 ARG 38 HD2 -0.37 0.09 -0.16 -0.04 3.22 2.74 2fx7H1 ARG 38 HD3 -0.14 -0.04 -0.11 -0.04 3.22 2.90 2fx7H1 GLN 39 H -0.11 0.46 0.19 -0.55 8.47 8.46 2fx7H1 GLN 39 HA 0.06 0.26 0.76 -0.75 4.36 4.70 2fx7H1 GLN 39 HB2 0.19 -0.05 -0.28 -0.04 2.15 1.97 2fx7H1 GLN 39 HB3 0.18 -0.07 0.07 -0.04 2.02 2.16 2fx7H1 GLN 39 HG2 0.08 -0.02 -0.24 -0.04 2.40 2.18 2fx7H1 GLN 39 HG3 0.08 0.20 -0.27 -0.04 2.39 2.36 2fx7H1 GLN 39 HE21 0.02 -0.10 -0.04 -0.04 6.97 6.81 2fx7H1 GLN 39 HE22 0.05 0.28 0.06 -0.04 7.69 8.04 2fx7H1 ALA 40 H 0.04 0.16 0.07 -0.55 8.40 8.12 2fx7H1 ALA 40 HA 0.02 0.17 0.69 -0.75 4.34 4.47 2fx7H1 ALA 40 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 2fx7H1 PRO 41 HA 0.05 -0.03 0.44 -0.51 4.44 4.39 2fx7H1 PRO 41 HB2 0.07 0.02 0.12 -0.04 2.28 2.45 2fx7H1 PRO 41 HB3 0.06 0.01 0.08 -0.04 2.02 2.13 2fx7H1 PRO 41 HG2 0.09 0.03 0.05 -0.04 2.03 2.15 2fx7H1 PRO 41 HG3 0.06 0.00 0.06 -0.04 2.03 2.11 2fx7H1 PRO 41 HD2 0.06 0.15 0.20 -0.04 3.68 4.05 2fx7H1 PRO 41 HD3 0.05 0.18 0.19 -0.04 3.65 4.03 2fx7H1 GLY 42 H 0.05 0.11 0.20 -0.55 8.43 8.24 2fx7H1 GLY 42 HA2 0.04 -0.03 0.37 -0.51 4.01 3.88 2fx7H1 GLY 42 HA3 0.04 0.04 0.43 -0.51 4.01 4.02 2fx7H1 ARG 43 H 0.05 0.60 -0.32 -0.55 8.46 8.24 2fx7H1 ARG 43 HA 0.04 0.15 0.90 -0.75 4.34 4.68 2fx7H1 ARG 43 HB2 0.05 -0.12 0.12 -0.04 1.90 1.92 2fx7H1 ARG 43 HB3 0.05 0.05 -0.12 -0.04 1.80 1.73 2fx7H1 ARG 43 HG2 0.05 0.13 0.09 -0.04 1.67 1.89 2fx7H1 ARG 43 HG3 0.06 0.27 -0.40 -0.04 1.67 1.55 2fx7H1 ARG 43 HD2 0.07 -0.04 0.02 -0.04 3.22 3.22 2fx7H1 ARG 43 HD3 0.06 0.03 0.03 -0.04 3.22 3.30 2fx7H1 GLY 44 H 0.05 0.06 0.12 -0.55 8.43 8.12 2fx7H1 GLY 44 HA2 0.05 0.13 0.57 -0.51 4.01 4.25 2fx7H1 GLY 44 HA3 0.06 0.00 0.35 -0.51 4.01 3.91 2fx7H1 LEU 45 H 0.08 0.06 0.16 -0.55 8.37 8.12 2fx7H1 LEU 45 HA 0.15 0.25 0.58 -0.75 4.35 4.59 2fx7H1 LEU 45 HB2 0.15 -0.05 0.07 -0.04 1.64 1.77 2fx7H1 LEU 45 HB3 0.25 -0.01 -0.04 -0.04 1.64 1.79 2fx7H1 LEU 45 HG 0.04 -0.04 0.05 -0.04 1.64 1.65 2fx7H1 LEU 45 HD13 0.03 -0.00 -0.03 -0.04 0.93 0.88 2fx7H1 LEU 45 HD23 0.04 0.02 -0.12 -0.04 0.89 0.80 2fx7H1 GLU 46 H 0.20 0.53 0.30 -0.55 8.60 9.08 2fx7H1 GLU 46 HA 0.24 0.11 0.92 -0.75 4.29 4.81 2fx7H1 GLU 46 HB2 0.17 0.05 -0.13 -0.04 2.09 2.13 2fx7H1 GLU 46 HB3 0.18 -0.03 0.11 -0.04 1.99 2.21 2fx7H1 GLU 46 HG2 0.36 0.09 -0.29 -0.04 2.34 2.46 2fx7H1 GLU 46 HG3 0.24 -0.02 0.03 -0.04 2.34 2.54 2fx7H1 TRP 47 H 0.46 0.15 0.12 -0.55 7.97 8.15 2fx7H1 TRP 47 HA 0.21 0.10 0.67 -0.75 4.62 4.84 2fx7H1 TRP 47 HB2 0.24 0.00 0.07 -0.04 3.23 3.50 2fx7H1 TRP 47 HB3 0.19 -0.01 0.13 -0.04 3.23 3.49 2fx7H1 TRP 47 HD1 0.31 0.01 -0.06 -0.04 7.22 7.44 2fx7H1 TRP 47 HE1 0.13 0.01 -0.16 -0.04 10.20 10.14 2fx7H1 TRP 47 HE3 0.17 -0.01 -0.16 -0.04 7.59 7.55 2fx7H1 TRP 47 HZ2 0.11 0.01 -0.15 -0.04 7.44 7.37 2fx7H1 TRP 47 HZ3 0.14 -0.01 -0.25 -0.04 7.13 6.97 2fx7H1 TRP 47 HH2 0.11 -0.00 -0.34 -0.04 7.19 6.92 2fx7H1 MET 48 H -0.41 0.65 0.50 -0.55 8.47 8.67 2fx7H1 MET 48 HA -0.08 0.13 0.88 -0.75 4.52 4.70 2fx7H1 MET 48 HB2 -0.29 0.07 0.11 -0.04 2.15 2.00 2fx7H1 MET 48 HB3 -0.64 -0.05 0.00 -0.04 2.03 1.31 2fx7H1 MET 48 HG2 -0.86 0.00 -0.11 -0.04 2.63 1.62 2fx7H1 MET 48 HG3 -0.16 0.07 -0.06 -0.04 2.56 2.37 2fx7H1 MET 48 HE3 -0.75 0.00 -0.10 -0.04 2.10 1.21 2fx7H1 GLY 49 H -1.15 0.29 0.37 -0.55 8.43 7.40 2fx7H1 GLY 49 HA2 -1.55 0.08 0.44 -0.51 4.01 2.47 2fx7H1 GLY 49 HA3 -0.25 0.08 0.72 -0.51 4.01 4.04 2fx7H1 GLY 50 H 0.14 0.59 0.42 -0.55 8.43 9.04 2fx7H1 GLY 50 HA2 0.14 0.17 0.96 -0.51 4.01 4.77 2fx7H1 GLY 50 HA3 0.24 -0.01 0.35 -0.51 4.01 4.08 2fx7H1 VAL 51 H 0.06 0.72 0.40 -0.55 8.24 8.87 2fx7H1 VAL 51 HA 0.03 0.29 0.82 -0.75 4.13 4.52 2fx7H1 VAL 51 HB 0.11 0.01 -0.30 -0.04 2.12 1.90 2fx7H1 VAL 51 HG13 0.08 0.01 -0.17 -0.04 0.97 0.84 2fx7H1 VAL 51 HG23 0.03 -0.02 -0.42 -0.04 0.95 0.50 2fx7H1 ILE 52 H -0.01 0.56 0.10 -0.55 8.25 8.35 2fx7H1 ILE 52 HA -0.07 0.26 0.76 -0.75 4.18 4.38 2fx7H1 ILE 52 HB -0.02 -0.06 0.19 -0.04 1.89 1.95 2fx7H1 ILE 52 HG12 -0.00 0.01 -0.15 -0.04 1.49 1.31 2fx7H1 ILE 52 HG13 0.01 0.00 -0.24 -0.04 1.21 0.94 2fx7H1 ILE 52 HG23 -0.05 -0.04 -0.11 -0.04 0.93 0.69 2fx7H1 ILE 52 HD13 0.00 0.00 -0.07 -0.04 0.88 0.78 2fx7H1 PRO 52 HA -0.03 0.02 0.39 -0.51 4.44 4.31 2fx7H1 PRO 52 HB2 -0.27 -0.04 0.18 -0.04 2.28 2.12 2fx7H1 PRO 52 HB3 -0.12 -0.07 -0.04 -0.04 2.02 1.75 2fx7H1 PRO 52 HG2 -1.12 0.25 0.03 -0.04 2.03 1.15 2fx7H1 PRO 52 HG3 -0.34 -0.05 -0.05 -0.04 2.03 1.55 2fx7H1 PRO 52 HD2 -0.25 0.25 0.16 -0.04 3.68 3.80 2fx7H1 PRO 52 HD3 -0.18 0.29 0.05 -0.04 3.65 3.76 2fx7H1 LEU 53 H -0.09 0.76 0.12 -0.55 8.37 8.61 2fx7H1 LEU 53 HA -0.01 -0.01 0.39 -0.75 4.35 3.96 2fx7H1 LEU 53 HB2 -0.05 -0.04 -0.05 -0.04 1.64 1.46 2fx7H1 LEU 53 HB3 -0.05 -0.02 0.06 -0.04 1.64 1.59 2fx7H1 LEU 53 HG -0.02 0.03 -0.24 -0.04 1.64 1.37 2fx7H1 LEU 53 HD13 -0.01 -0.01 0.03 -0.04 0.93 0.90 2fx7H1 LEU 53 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 2fx7H1 LEU 54 H -0.03 0.15 -0.20 -0.55 8.37 7.74 2fx7H1 LEU 54 HA -0.01 0.19 0.80 -0.75 4.35 4.58 2fx7H1 LEU 54 HB2 -0.01 -0.03 0.06 -0.04 1.64 1.61 2fx7H1 LEU 54 HB3 -0.01 0.02 0.13 -0.04 1.64 1.74 2fx7H1 LEU 54 HG -0.03 -0.06 -0.06 -0.04 1.64 1.45 2fx7H1 LEU 54 HD13 -0.01 0.00 -0.00 -0.04 0.93 0.87 2fx7H1 LEU 54 HD23 -0.01 0.02 -0.08 -0.04 0.89 0.78 2fx7H1 THR 55 H -0.01 0.30 -0.27 -0.55 8.28 7.76 2fx7H1 THR 55 HA 0.02 -0.04 0.27 -0.75 4.39 3.89 2fx7H1 THR 55 HB 0.03 -0.08 0.20 -0.04 4.32 4.43 2fx7H1 THR 55 HG23 0.03 0.00 -0.11 -0.04 1.22 1.10 2fx7H1 ILE 56 H -0.01 0.13 -0.34 -0.55 8.25 7.48 2fx7H1 ILE 56 HA -0.02 0.15 0.76 -0.75 4.18 4.31 2fx7H1 ILE 56 HB -0.01 0.06 0.00 -0.04 1.89 1.91 2fx7H1 ILE 56 HG12 -0.02 0.06 -0.38 -0.04 1.49 1.12 2fx7H1 ILE 56 HG13 -0.02 0.03 0.03 -0.04 1.21 1.21 2fx7H1 ILE 56 HG23 -0.01 -0.04 0.07 -0.04 0.93 0.91 2fx7H1 ILE 56 HD13 -0.00 -0.02 -0.04 -0.04 0.88 0.78 2fx7H1 THR 57 H -0.08 0.17 0.23 -0.55 8.28 8.04 2fx7H1 THR 57 HA -0.08 0.27 0.98 -0.75 4.39 4.81 2fx7H1 THR 57 HB -0.76 -0.05 0.09 -0.04 4.32 3.56 2fx7H1 THR 57 HG23 0.02 0.01 -0.02 -0.04 1.22 1.20 2fx7H1 ASN 58 H -0.19 0.47 0.21 -0.55 8.53 8.47 2fx7H1 ASN 58 HA -0.03 0.11 0.69 -0.75 4.76 4.78 2fx7H1 ASN 58 HB2 0.10 0.09 -0.20 -0.04 2.88 2.82 2fx7H1 ASN 58 HB3 0.26 -0.07 0.05 -0.04 2.79 2.98 2fx7H1 ASN 58 HD21 0.16 0.01 -0.11 -0.04 7.03 7.05 2fx7H1 ASN 58 HD22 0.28 -0.02 -0.10 -0.04 7.74 7.85 2fx7H1 TYR 59 H 0.02 0.20 0.12 -0.55 8.29 8.08 2fx7H1 TYR 59 HA -0.11 0.19 1.20 -0.75 4.56 5.08 2fx7H1 TYR 59 HB2 0.06 -0.03 0.01 -0.04 3.06 3.07 2fx7H1 TYR 59 HB3 0.04 0.10 -0.01 -0.04 2.98 3.06 2fx7H1 TYR 59 HD2 -0.02 0.02 -0.06 -0.04 7.15 7.06 2fx7H1 TYR 59 HE2 0.01 0.02 -0.03 -0.04 6.85 6.80 2fx7H1 ALA 60 H -0.00 0.71 0.27 -0.55 8.40 8.83 2fx7H1 ALA 60 HA 0.43 0.09 0.49 -0.75 4.34 4.60 2fx7H1 ALA 60 HB3 0.33 -0.00 0.11 -0.04 1.41 1.81 2fx7H1 PRO 61 HA 0.10 0.08 0.44 -0.51 4.44 4.54 2fx7H1 PRO 61 HB2 0.05 0.00 0.09 -0.04 2.28 2.38 2fx7H1 PRO 61 HB3 0.06 0.05 0.11 -0.04 2.02 2.20 2fx7H1 PRO 61 HG2 0.10 0.03 0.11 -0.04 2.03 2.23 2fx7H1 PRO 61 HG3 0.11 0.07 0.13 -0.04 2.03 2.30 2fx7H1 PRO 61 HD2 0.18 0.07 0.23 -0.04 3.68 4.13 2fx7H1 PRO 61 HD3 0.24 0.20 0.29 -0.04 3.65 4.33 2fx7H1 ARG 62 H -0.01 0.08 -0.26 -0.55 8.46 7.71 2fx7H1 ARG 62 HA -0.16 0.08 0.35 -0.75 4.34 3.86 2fx7H1 ARG 62 HB2 -0.17 0.00 0.08 -0.04 1.90 1.76 2fx7H1 ARG 62 HB3 -0.46 -0.00 0.01 -0.04 1.80 1.31 2fx7H1 ARG 62 HG2 -1.03 0.04 -0.18 -0.04 1.67 0.46 2fx7H1 ARG 62 HG3 -0.31 0.00 0.06 -0.04 1.67 1.38 2fx7H1 ARG 62 HD2 -0.22 -0.02 -0.02 -0.04 3.22 2.93 2fx7H1 ARG 62 HD3 -0.33 0.02 -0.05 -0.04 3.22 2.82 2fx7H1 PHE 63 H 0.02 0.42 -0.33 -0.55 8.34 7.89 2fx7H1 PHE 63 HA -0.03 0.23 0.85 -0.75 4.62 4.91 2fx7H1 PHE 63 HB2 -0.09 0.08 0.06 -0.04 3.15 3.17 2fx7H1 PHE 63 HB3 -0.13 -0.09 0.06 -0.04 3.06 2.87 2fx7H1 PHE 63 HD2 -0.04 0.04 0.02 -0.04 7.28 7.27 2fx7H1 PHE 63 HE2 0.03 0.05 -0.10 -0.04 7.38 7.32 2fx7H1 PHE 63 HZ 0.04 0.01 -0.10 -0.04 7.32 7.22 2fx7H1 GLN 64 H 0.08 0.31 -0.11 -0.55 8.47 8.20 2fx7H1 GLN 64 HA 0.06 -0.06 0.44 -0.75 4.36 4.05 2fx7H1 GLN 64 HB2 0.15 0.01 0.00 -0.04 2.15 2.27 2fx7H1 GLN 64 HB3 0.07 0.14 0.20 -0.04 2.02 2.39 2fx7H1 GLN 64 HG2 0.09 -0.02 -0.01 -0.04 2.40 2.43 2fx7H1 GLN 64 HG3 0.09 0.03 -0.20 -0.04 2.39 2.26 2fx7H1 GLN 64 HE21 0.29 -0.01 0.02 -0.04 6.97 7.22 2fx7H1 GLN 64 HE22 0.17 0.01 0.00 -0.04 7.69 7.83 2fx7H1 GLY 65 H -0.03 0.12 0.29 -0.55 8.43 8.26 2fx7H1 GLY 65 HA2 0.01 -0.02 0.36 -0.51 4.01 3.84 2fx7H1 GLY 65 HA3 0.01 0.22 0.84 -0.51 4.01 4.57 2fx7H1 ARG 66 H -0.03 0.57 0.08 -0.55 8.46 8.52 2fx7H1 ARG 66 HA -0.03 0.16 0.91 -0.75 4.34 4.62 2fx7H1 ARG 66 HB2 0.06 0.09 0.01 -0.04 1.90 2.01 2fx7H1 ARG 66 HB3 0.03 -0.05 0.07 -0.04 1.80 1.80 2fx7H1 ARG 66 HG2 -0.00 -0.01 -0.07 -0.04 1.67 1.55 2fx7H1 ARG 66 HG3 0.01 0.00 -0.16 -0.04 1.67 1.48 2fx7H1 ARG 66 HD2 0.02 0.34 -0.00 -0.04 3.22 3.54 2fx7H1 ARG 66 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.14 2fx7H1 ILE 67 H -0.18 0.04 0.25 -0.55 8.25 7.82 2fx7H1 ILE 67 HA -0.23 0.42 1.20 -0.75 4.18 4.82 2fx7H1 ILE 67 HB -0.22 0.01 -0.03 -0.04 1.89 1.61 2fx7H1 ILE 67 HG12 -0.44 -0.08 -0.23 -0.04 1.49 0.70 2fx7H1 ILE 67 HG13 -0.34 0.16 0.05 -0.04 1.21 1.04 2fx7H1 ILE 67 HG23 -0.78 0.02 -0.12 -0.04 0.93 0.01 2fx7H1 ILE 67 HD13 -0.35 -0.01 -0.15 -0.04 0.88 0.32 2fx7H1 THR 68 H -0.25 0.57 0.29 -0.55 8.28 8.34 2fx7H1 THR 68 HA -0.09 0.12 0.75 -0.75 4.39 4.41 2fx7H1 THR 68 HB -0.09 -0.05 0.04 -0.04 4.32 4.19 2fx7H1 THR 68 HG23 0.03 -0.01 -0.19 -0.04 1.22 1.01 2fx7H1 ILE 69 H 0.30 0.22 0.10 -0.55 8.25 8.33 2fx7H1 ILE 69 HA 0.04 0.39 1.11 -0.75 4.18 4.97 2fx7H1 ILE 69 HB 0.32 -0.03 -0.01 -0.04 1.89 2.12 2fx7H1 ILE 69 HG12 -0.07 0.06 -0.09 -0.04 1.49 1.35 2fx7H1 ILE 69 HG13 0.08 -0.13 -0.35 -0.04 1.21 0.77 2fx7H1 ILE 69 HG23 0.32 0.02 -0.19 -0.04 0.93 1.04 2fx7H1 ILE 69 HD13 0.26 0.01 -0.28 -0.04 0.88 0.83 2fx7H1 THR 70 H 0.19 0.48 0.26 -0.55 8.28 8.66 2fx7H1 THR 70 HA 0.14 0.21 0.85 -0.75 4.39 4.84 2fx7H1 THR 70 HB 0.12 -0.00 0.03 -0.04 4.32 4.43 2fx7H1 THR 70 HG23 0.06 0.01 -0.28 -0.04 1.22 0.96 2fx7H1 ALA 71 H 0.17 0.27 0.16 -0.55 8.40 8.46 2fx7H1 ALA 71 HA 0.31 0.26 0.99 -0.75 4.34 5.14 2fx7H1 ALA 71 HB3 0.21 0.01 -0.09 -0.04 1.41 1.51 2fx7H1 ASP 72 H 0.25 0.91 0.26 -0.55 8.40 9.27 2fx7H1 ASP 72 HA 0.15 0.16 0.91 -0.75 4.63 5.10 2fx7H1 ASP 72 HB2 0.27 0.08 0.01 -0.04 2.71 3.03 2fx7H1 ASP 72 HB3 0.13 -0.02 0.22 -0.04 2.70 2.99 2fx7H1 ARG 73 H 0.16 0.30 0.09 -0.55 8.46 8.46 2fx7H1 ARG 73 HA 0.22 0.07 0.41 -0.75 4.34 4.29 2fx7H1 ARG 73 HB2 0.11 0.03 0.08 -0.04 1.90 2.08 2fx7H1 ARG 73 HB3 0.15 0.01 0.06 -0.04 1.80 1.98 2fx7H1 ARG 73 HG2 0.29 -0.05 -0.07 -0.04 1.67 1.80 2fx7H1 ARG 73 HG3 0.21 0.04 -0.04 -0.04 1.67 1.85 2fx7H1 ARG 73 HD2 0.07 0.12 -0.17 -0.04 3.22 3.20 2fx7H1 ARG 73 HD3 0.08 0.04 0.00 -0.04 3.22 3.30 2fx7H1 SER 74 H 0.04 0.06 -0.23 -0.55 8.46 7.78 2fx7H1 SER 74 HA 0.00 0.13 0.45 -0.75 4.49 4.32 2fx7H1 SER 74 HB2 0.00 0.05 0.08 -0.04 3.95 4.04 2fx7H1 SER 74 HB3 0.02 -0.02 0.08 -0.04 3.93 3.97 2fx7H1 THR 75 H -0.07 0.16 -0.29 -0.55 8.28 7.53 2fx7H1 THR 75 HA -0.08 0.27 0.91 -0.75 4.39 4.73 2fx7H1 THR 75 HB -0.06 0.04 0.11 -0.04 4.32 4.37 2fx7H1 THR 75 HG23 -0.01 -0.01 -0.17 -0.04 1.22 0.99 2fx7H1 SER 76 H -0.34 0.11 -0.12 -0.55 8.46 7.56 2fx7H1 SER 76 HA -1.91 -0.06 0.31 -0.75 4.49 2.08 2fx7H1 SER 76 HB2 -0.32 0.22 -0.03 -0.04 3.95 3.78 2fx7H1 SER 76 HB3 -0.53 -0.02 0.24 -0.04 3.93 3.58 2fx7H1 THR 77 H -0.35 0.23 -0.05 -0.55 8.28 7.56 2fx7H1 THR 77 HA -0.22 0.37 1.18 -0.75 4.39 4.96 2fx7H1 THR 77 HB -0.14 -0.14 -0.00 -0.04 4.32 4.00 2fx7H1 THR 77 HG23 -0.55 0.00 -0.22 -0.04 1.22 0.42 2fx7H1 ALA 78 H -0.08 0.73 0.38 -0.55 8.40 8.88 2fx7H1 ALA 78 HA 0.18 0.16 1.07 -0.75 4.34 5.00 2fx7H1 ALA 78 HB3 0.20 0.01 0.04 -0.04 1.41 1.61 2fx7H1 TYR 79 H 0.32 0.73 0.36 -0.55 8.29 9.16 2fx7H1 TYR 79 HA 0.15 0.34 1.13 -0.75 4.56 5.42 2fx7H1 TYR 79 HB2 0.03 -0.10 -0.02 -0.04 3.06 2.92 2fx7H1 TYR 79 HB3 -0.05 0.04 -0.08 -0.04 2.98 2.85 2fx7H1 TYR 79 HD2 0.04 0.02 -0.27 -0.04 7.15 6.90 2fx7H1 TYR 79 HE2 0.03 -0.02 -0.15 -0.04 6.85 6.66 2fx7H1 LEU 80 H -0.36 0.62 0.33 -0.55 8.37 8.42 2fx7H1 LEU 80 HA -0.52 0.20 1.01 -0.75 4.35 4.28 2fx7H1 LEU 80 HB2 -2.99 -0.00 -0.08 -0.04 1.64 -1.47 2fx7H1 LEU 80 HB3 -1.80 -0.02 0.09 -0.04 1.64 -0.13 2fx7H1 LEU 80 HG -0.65 0.01 -0.48 -0.04 1.64 0.48 2fx7H1 LEU 80 HD13 -0.53 0.00 -0.10 -0.04 0.93 0.26 2fx7H1 LEU 80 HD23 -0.57 -0.01 -0.15 -0.04 0.89 0.12 2fx7H1 GLU 81 H -0.27 0.64 0.33 -0.55 8.60 8.75 2fx7H1 GLU 81 HA -0.23 0.42 1.16 -0.75 4.29 4.88 2fx7H1 GLU 81 HB2 -0.13 -0.05 -0.04 -0.04 2.09 1.83 2fx7H1 GLU 81 HB3 -0.14 -0.06 0.14 -0.04 1.99 1.89 2fx7H1 GLU 81 HG2 -0.13 0.00 -0.32 -0.04 2.34 1.85 2fx7H1 GLU 81 HG3 -0.13 0.07 -0.11 -0.04 2.34 2.13 2fx7H1 LEU 82 H -0.02 0.50 -0.19 -0.55 8.37 8.12 2fx7H1 LEU 82 HA 0.02 0.09 0.27 -0.75 4.35 3.97 2fx7H1 LEU 82 HB2 -0.01 -0.04 -0.06 -0.04 1.64 1.50 2fx7H1 LEU 82 HB3 0.01 -0.01 -0.17 -0.04 1.64 1.42 2fx7H1 LEU 82 HG -0.04 0.15 -0.14 -0.04 1.64 1.56 2fx7H1 LEU 82 HD13 -0.05 -0.04 -0.33 -0.04 0.93 0.46 2fx7H1 LEU 82 HD23 -0.04 0.00 -0.15 -0.04 0.89 0.67 2fx7H1 ASN 82 H -0.08 0.66 0.27 -0.55 8.53 8.84 2fx7H1 ASN 82 HA -0.06 0.11 0.90 -0.75 4.76 4.95 2fx7H1 ASN 82 HB2 -0.04 0.07 0.04 -0.04 2.88 2.90 2fx7H1 ASN 82 HB3 -0.04 -0.07 0.09 -0.04 2.79 2.73 2fx7H1 ASN 82 HD21 -0.07 -0.06 -0.22 -0.04 7.03 6.64 2fx7H1 ASN 82 HD22 -0.06 0.06 -0.14 -0.04 7.74 7.56 2fx7H1 SER 82 H -0.03 0.15 0.03 -0.55 8.46 8.07 2fx7H1 SER 82 HA -0.01 0.08 0.31 -0.75 4.49 4.12 2fx7H1 SER 82 HB2 -0.01 -0.04 -0.03 -0.04 3.95 3.83 2fx7H1 SER 82 HB3 -0.00 0.12 -0.04 -0.04 3.93 3.97 2fx7H1 LEU 82 H -0.02 0.50 -0.19 -0.55 8.37 8.12 2fx7H1 LEU 82 HA 0.02 0.09 0.27 -0.75 4.35 3.97 2fx7H1 LEU 82 HB2 -0.01 -0.04 -0.06 -0.04 1.64 1.50 2fx7H1 LEU 82 HB3 0.01 -0.01 -0.17 -0.04 1.64 1.42 2fx7H1 LEU 82 HG -0.04 0.15 -0.14 -0.04 1.64 1.56 2fx7H1 LEU 82 HD13 -0.05 -0.04 -0.33 -0.04 0.93 0.46 2fx7H1 LEU 82 HD23 -0.04 0.00 -0.15 -0.04 0.89 0.67 2fx7H1 ARG 83 H 0.04 0.20 0.19 -0.55 8.46 8.34 2fx7H1 ARG 83 HA 0.02 0.19 0.82 -0.75 4.34 4.61 2fx7H1 ARG 83 HB2 0.04 0.02 0.07 -0.04 1.90 1.99 2fx7H1 ARG 83 HB3 0.03 -0.09 0.10 -0.04 1.80 1.80 2fx7H1 ARG 83 HG2 0.01 0.01 0.04 -0.04 1.67 1.70 2fx7H1 ARG 83 HG3 0.02 0.19 -0.17 -0.04 1.67 1.66 2fx7H1 ARG 83 HD2 0.02 0.03 -0.00 -0.04 3.22 3.22 2fx7H1 ARG 83 HD3 0.02 -0.06 0.03 -0.04 3.22 3.16 2fx7H1 PRO 84 HA 0.05 0.18 0.49 -0.51 4.44 4.65 2fx7H1 PRO 84 HB2 0.03 0.00 0.09 -0.04 2.28 2.35 2fx7H1 PRO 84 HB3 0.03 0.09 0.15 -0.04 2.02 2.25 2fx7H1 PRO 84 HG2 0.01 0.05 0.10 -0.04 2.03 2.15 2fx7H1 PRO 84 HG3 0.01 0.08 0.08 -0.04 2.03 2.16 2fx7H1 PRO 84 HD2 0.02 0.10 0.22 -0.04 3.68 3.97 2fx7H1 PRO 84 HD3 0.01 0.15 0.22 -0.04 3.65 3.99 2fx7H1 GLU 85 H 0.04 0.08 -0.31 -0.55 8.60 7.87 2fx7H1 GLU 85 HA 0.06 0.11 0.42 -0.75 4.29 4.12 2fx7H1 GLU 85 HB2 0.06 0.02 -0.05 -0.04 2.09 2.08 2fx7H1 GLU 85 HB3 0.05 0.03 0.10 -0.04 1.99 2.13 2fx7H1 GLU 85 HG2 0.03 0.02 0.02 -0.04 2.34 2.37 2fx7H1 GLU 85 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 2fx7H1 ASP 86 H 0.08 0.58 -0.43 -0.55 8.40 8.09 2fx7H1 ASP 86 HA 0.15 0.11 0.57 -0.75 4.63 4.71 2fx7H1 ASP 86 HB2 0.09 0.09 0.05 -0.04 2.71 2.89 2fx7H1 ASP 86 HB3 0.15 -0.02 0.04 -0.04 2.70 2.83 2fx7H1 THR 87 H 0.10 0.43 -0.20 -0.55 8.28 8.06 2fx7H1 THR 87 HA 0.14 0.21 0.64 -0.75 4.39 4.62 2fx7H1 THR 87 HB 0.09 0.09 0.27 -0.04 4.32 4.73 2fx7H1 THR 87 HG23 0.12 -0.01 -0.00 -0.04 1.22 1.29 2fx7H1 ALA 88 H 0.19 0.49 0.46 -0.55 8.40 8.98 2fx7H1 ALA 88 HA 0.03 0.03 0.45 -0.75 4.34 4.09 2fx7H1 ALA 88 HB3 -0.18 0.02 -0.35 -0.04 1.41 0.87 2fx7H1 VAL 89 H -0.06 0.62 0.25 -0.55 8.24 8.50 2fx7H1 VAL 89 HA -0.00 0.15 0.72 -0.75 4.13 4.24 2fx7H1 VAL 89 HB -0.07 0.04 0.15 -0.04 2.12 2.20 2fx7H1 VAL 89 HG13 -0.53 -0.01 -0.24 -0.04 0.97 0.14 2fx7H1 VAL 89 HG23 -0.02 -0.01 -0.05 -0.04 0.95 0.83 2fx7H1 TYR 90 H 0.17 0.70 0.31 -0.55 8.29 8.92 2fx7H1 TYR 90 HA 0.11 0.19 1.01 -0.75 4.56 5.11 2fx7H1 TYR 90 HB2 0.05 0.03 0.15 -0.04 3.06 3.24 2fx7H1 TYR 90 HB3 0.19 -0.02 -0.08 -0.04 2.98 3.04 2fx7H1 TYR 90 HD2 -0.04 0.06 -0.09 -0.04 7.15 7.03 2fx7H1 TYR 90 HE2 -0.10 0.06 -0.04 -0.04 6.85 6.73 2fx7H1 TYR 91 H 0.39 0.92 0.39 -0.55 8.29 9.45 2fx7H1 TYR 91 HA 0.19 0.07 1.04 -0.75 4.56 5.11 2fx7H1 TYR 91 HB2 0.37 -0.01 0.05 -0.04 3.06 3.43 2fx7H1 TYR 91 HB3 0.36 0.08 -0.03 -0.04 2.98 3.35 2fx7H1 TYR 91 HD2 0.25 0.10 -0.17 -0.04 7.15 7.28 2fx7H1 TYR 91 HE2 0.07 0.07 -0.19 -0.04 6.85 6.76 2fx7H1 CYS 92 H -0.11 0.06 0.21 -0.55 8.50 8.11 2fx7H1 CYS 92 HA -1.18 0.32 1.03 -0.75 4.58 3.99 2fx7H1 CYS 92 HB2 -1.00 0.07 0.00 -0.04 2.97 2.00 2fx7H1 CYS 92 HB3 -2.20 0.01 -0.05 -0.04 2.97 0.69 2fx7H1 ALA 93 H -0.74 0.68 0.34 -0.55 8.40 8.13 2fx7H1 ALA 93 HA -0.63 0.32 0.90 -0.75 4.34 4.18 2fx7H1 ALA 93 HB3 -1.58 -0.02 -0.12 -0.04 1.41 -0.35 2fx7H1 ARG 94 H -0.29 0.61 0.29 -0.55 8.46 8.51 2fx7H1 ARG 94 HA -0.20 0.26 1.12 -0.75 4.34 4.77 2fx7H1 ARG 94 HB2 -0.10 -0.07 -0.07 -0.04 1.90 1.62 2fx7H1 ARG 94 HB3 0.05 -0.00 -0.01 -0.04 1.80 1.80 2fx7H1 ARG 94 HG2 -0.00 0.06 0.02 -0.04 1.67 1.71 2fx7H1 ARG 94 HG3 -0.05 -0.05 -0.11 -0.04 1.67 1.42 2fx7H1 ARG 94 HD2 0.06 0.02 -0.05 -0.04 3.22 3.21 2fx7H1 ARG 94 HD3 -0.02 -0.04 -0.09 -0.04 3.22 3.03 2fx7H1 GLU 95 H 0.01 0.44 0.25 -0.55 8.60 8.75 2fx7H1 GLU 95 HA 0.11 0.21 0.42 -0.75 4.29 4.27 2fx7H1 GLU 95 HB2 0.08 -0.22 0.09 -0.04 2.09 2.00 2fx7H1 GLU 95 HB3 0.13 0.12 0.10 -0.04 1.99 2.29 2fx7H1 GLU 95 HG2 0.11 0.12 0.23 -0.04 2.34 2.76 2fx7H1 GLU 95 HG3 0.09 0.11 -0.03 -0.04 2.34 2.47 2fx7H1 GLY 96 H 0.01 0.33 0.22 -0.55 8.43 8.44 2fx7H1 GLY 96 HA2 0.00 0.19 0.65 -0.51 4.01 4.35 2fx7H1 GLY 96 HA3 -0.06 0.04 0.38 -0.51 4.01 3.86 2fx7H1 THR 97 H 0.06 0.27 0.18 -0.55 8.28 8.25 2fx7H1 THR 97 HA 0.02 0.25 0.72 -0.75 4.39 4.63 2fx7H1 THR 97 HB 0.02 -0.15 -0.27 -0.04 4.32 3.88 2fx7H1 THR 97 HG23 -0.22 0.01 -0.44 -0.04 1.22 0.53 2fx7H1 THR 98 H 0.01 0.24 0.08 -0.55 8.28 8.07 2fx7H1 THR 98 HA -0.03 0.14 0.66 -0.75 4.39 4.40 2fx7H1 THR 98 HB -0.05 -0.10 0.16 -0.04 4.32 4.28 2fx7H1 THR 98 HG23 -0.01 0.06 -0.04 -0.04 1.22 1.19 2fx7H1 GLY 99 H -0.10 0.03 0.14 -0.55 8.43 7.96 2fx7H1 GLY 99 HA2 -0.23 -0.02 0.35 -0.51 4.01 3.59 2fx7H1 GLY 99 HA3 -0.16 -0.04 0.35 -0.51 4.01 3.65 2fx7H1 TRP 100 H 0.19 0.04 0.15 -0.55 7.97 7.80 2fx7H1 TRP 100 HA 0.02 0.27 0.66 -0.75 4.62 4.81 2fx7H1 TRP 100 HB2 -0.01 -0.07 0.00 -0.04 3.23 3.11 2fx7H1 TRP 100 HB3 -0.08 0.04 0.16 -0.04 3.23 3.31 2fx7H1 TRP 100 HD1 0.10 -0.01 0.05 -0.04 7.22 7.32 2fx7H1 TRP 100 HE1 0.15 0.02 0.01 -0.04 10.20 10.34 2fx7H1 TRP 100 HE3 0.01 -0.09 -0.10 -0.04 7.59 7.36 2fx7H1 TRP 100 HZ2 0.04 0.01 -0.00 -0.04 7.44 7.45 2fx7H1 TRP 100 HZ3 -0.01 -0.01 -0.01 -0.04 7.13 7.06 2fx7H1 TRP 100 HH2 -0.01 -0.01 0.00 -0.04 7.19 7.13 2fx7H1 GLY 100 H 0.06 0.10 -0.00 -0.55 8.43 8.04 2fx7H1 GLY 100 HA2 0.06 -0.00 0.36 -0.51 4.01 3.91 2fx7H1 GLY 100 HA3 -0.00 0.13 0.47 -0.51 4.01 4.10 2fx7H1 TRP 100 H 0.19 0.04 0.15 -0.55 7.97 7.80 2fx7H1 TRP 100 HA 0.02 0.27 0.66 -0.75 4.62 4.81 2fx7H1 TRP 100 HB2 -0.01 -0.07 0.00 -0.04 3.23 3.11 2fx7H1 TRP 100 HB3 -0.08 0.04 0.16 -0.04 3.23 3.31 2fx7H1 TRP 100 HD1 0.10 -0.01 0.05 -0.04 7.22 7.32 2fx7H1 TRP 100 HE1 0.15 0.02 0.01 -0.04 10.20 10.34 2fx7H1 TRP 100 HE3 0.01 -0.09 -0.10 -0.04 7.59 7.36 2fx7H1 TRP 100 HZ2 0.04 0.01 -0.00 -0.04 7.44 7.45 2fx7H1 TRP 100 HZ3 -0.01 -0.01 -0.01 -0.04 7.13 7.06 2fx7H1 TRP 100 HH2 -0.01 -0.01 0.00 -0.04 7.19 7.13 2fx7H1 LEU 100 H 0.11 0.14 0.04 -0.55 8.37 8.12 2fx7H1 LEU 100 HA 0.32 0.20 0.84 -0.75 4.35 4.96 2fx7H1 LEU 100 HB2 0.17 -0.11 0.02 -0.04 1.64 1.68 2fx7H1 LEU 100 HB3 0.13 0.04 0.11 -0.04 1.64 1.87 2fx7H1 LEU 100 HG 0.23 -0.03 0.07 -0.04 1.64 1.87 2fx7H1 LEU 100 HD13 0.11 -0.00 -0.01 -0.04 0.93 0.98 2fx7H1 LEU 100 HD23 0.12 0.02 0.08 -0.04 0.89 1.06 2fx7H1 GLY 100 H 0.06 0.10 -0.00 -0.55 8.43 8.04 2fx7H1 GLY 100 HA2 0.06 -0.00 0.36 -0.51 4.01 3.91 2fx7H1 GLY 100 HA3 -0.00 0.13 0.47 -0.51 4.01 4.10 2fx7H1 LYS 100 H 0.04 0.06 0.11 -0.55 8.42 8.08 2fx7H1 LYS 100 HA 0.10 0.15 0.49 -0.75 4.32 4.31 2fx7H1 LYS 100 HB2 0.03 -0.03 0.12 -0.04 1.87 1.95 2fx7H1 LYS 100 HB3 0.02 -0.08 0.12 -0.04 1.79 1.80 2fx7H1 LYS 100 HG2 0.03 0.17 -0.10 -0.04 1.46 1.52 2fx7H1 LYS 100 HG3 0.04 0.03 0.08 -0.04 1.46 1.57 2fx7H1 LYS 100 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2fx7H1 LYS 100 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 2fx7H1 LYS 100 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2fx7H1 LYS 100 HE3 -0.00 -0.06 0.01 -0.04 2.99 2.89 2fx7H1 PRO 100 HA 0.12 0.31 0.61 -0.51 4.44 4.98 2fx7H1 PRO 100 HB2 0.15 -0.10 0.06 -0.04 2.28 2.35 2fx7H1 PRO 100 HB3 0.41 0.08 0.14 -0.04 2.02 2.61 2fx7H1 PRO 100 HG2 0.08 -0.01 0.10 -0.04 2.03 2.16 2fx7H1 PRO 100 HG3 0.08 0.07 0.11 -0.04 2.03 2.25 2fx7H1 PRO 100 HD2 0.09 0.02 0.25 -0.04 3.68 3.99 2fx7H1 PRO 100 HD3 0.22 0.23 0.23 -0.04 3.65 4.29 2fx7H1 ILE 100 H 0.05 0.46 0.18 -0.55 8.25 8.40 2fx7H1 ILE 100 HA 0.02 0.24 0.90 -0.75 4.18 4.58 2fx7H1 ILE 100 HB -0.01 -0.03 0.08 -0.04 1.89 1.89 2fx7H1 ILE 100 HG12 0.01 0.14 -0.11 -0.04 1.49 1.49 2fx7H1 ILE 100 HG13 0.01 -0.08 -0.29 -0.04 1.21 0.80 2fx7H1 ILE 100 HG23 0.01 0.03 -0.29 -0.04 0.93 0.64 2fx7H1 ILE 100 HD13 -0.01 0.01 -0.12 -0.04 0.88 0.73 2fx7H1 GLY 100 H 0.06 0.10 -0.00 -0.55 8.43 8.04 2fx7H1 GLY 100 HA2 0.06 -0.00 0.36 -0.51 4.01 3.91 2fx7H1 GLY 100 HA3 -0.00 0.13 0.47 -0.51 4.01 4.10 2fx7H1 ALA 100 H -0.04 0.44 -0.33 -0.55 8.40 7.93 2fx7H1 ALA 100 HA -0.31 0.05 0.35 -0.75 4.34 3.68 2fx7H1 ALA 100 HB3 -0.07 0.01 -0.02 -0.04 1.41 1.29 2fx7H1 PHE 100 H -0.29 0.13 0.04 -0.55 8.34 7.67 2fx7H1 PHE 100 HA -0.15 0.14 0.34 -0.75 4.62 4.20 2fx7H1 PHE 100 HB2 0.12 -0.00 0.08 -0.04 3.15 3.31 2fx7H1 PHE 100 HB3 -0.73 0.06 -0.13 -0.04 3.06 2.22 2fx7H1 PHE 100 HD2 -0.09 0.04 -0.27 -0.04 7.28 6.93 2fx7H1 PHE 100 HE2 0.11 0.02 -0.11 -0.04 7.38 7.36 2fx7H1 PHE 100 HZ -0.01 -0.03 -0.10 -0.04 7.32 7.14 2fx7H1 ALA 101 H -0.04 0.23 0.26 -0.55 8.40 8.31 2fx7H1 ALA 101 HA 0.06 0.12 0.62 -0.75 4.34 4.39 2fx7H1 ALA 101 HB3 -0.31 -0.00 0.06 -0.04 1.41 1.12 2fx7H1 HIS 102 H -0.15 0.47 0.08 -0.55 8.41 8.27 2fx7H1 HIS 102 HA 0.15 0.20 0.99 -0.75 4.63 5.22 2fx7H1 HIS 102 HB2 -0.09 -0.10 0.06 -0.04 3.26 3.09 2fx7H1 HIS 102 HB3 -0.04 0.07 -0.07 -0.04 3.20 3.11 2fx7H1 HIS 102 HD2 -0.04 0.18 -0.17 -0.04 6.97 6.90 2fx7H1 HIS 102 HE1 0.31 -0.01 -0.02 -0.04 7.75 7.99 2fx7H1 TRP 103 H 0.36 0.25 0.18 -0.55 7.97 8.21 2fx7H1 TRP 103 HA -0.03 0.22 1.16 -0.75 4.62 5.21 2fx7H1 TRP 103 HB2 -0.02 -0.01 0.06 -0.04 3.23 3.22 2fx7H1 TRP 103 HB3 -0.04 0.11 0.04 -0.04 3.23 3.30 2fx7H1 TRP 103 HD1 -0.00 0.03 -0.49 -0.04 7.22 6.72 2fx7H1 TRP 103 HE1 0.07 0.34 -0.12 -0.04 10.20 10.44 2fx7H1 TRP 103 HE3 -0.29 0.04 -0.09 -0.04 7.59 7.21 2fx7H1 TRP 103 HZ2 0.22 -0.04 -0.07 -0.04 7.44 7.51 2fx7H1 TRP 103 HZ3 -0.13 -0.02 -0.14 -0.04 7.13 6.81 2fx7H1 TRP 103 HH2 0.17 -0.06 -0.11 -0.04 7.19 7.15 2fx7H1 GLY 104 H 0.13 0.48 0.31 -0.55 8.43 8.80 2fx7H1 GLY 104 HA2 0.08 0.34 0.65 -0.51 4.01 4.57 2fx7H1 GLY 104 HA3 0.07 -0.12 0.37 -0.51 4.01 3.81 2fx7H1 GLN 105 H 0.10 0.10 0.25 -0.55 8.47 8.38 2fx7H1 GLN 105 HA 0.17 0.14 0.54 -0.75 4.36 4.46 2fx7H1 GLN 105 HB2 0.07 -0.01 0.19 -0.04 2.15 2.36 2fx7H1 GLN 105 HB3 0.06 -0.01 0.21 -0.04 2.02 2.24 2fx7H1 GLN 105 HG2 0.05 0.33 -0.25 -0.04 2.40 2.48 2fx7H1 GLN 105 HG3 0.04 -0.04 0.04 -0.04 2.39 2.39 2fx7H1 GLN 105 HE21 0.02 0.24 0.16 -0.04 6.97 7.35 2fx7H1 GLN 105 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 2fx7H1 GLY 106 H 0.14 -0.13 -0.29 -0.55 8.43 7.61 2fx7H1 GLY 106 HA2 -0.23 0.12 0.29 -0.51 4.01 3.68 2fx7H1 GLY 106 HA3 -0.36 0.14 0.53 -0.51 4.01 3.81 2fx7H1 THR 107 H -0.05 0.40 0.22 -0.55 8.28 8.30 2fx7H1 THR 107 HA 0.02 0.18 0.86 -0.75 4.39 4.70 2fx7H1 THR 107 HB 0.12 -0.08 0.14 -0.04 4.32 4.47 2fx7H1 THR 107 HG23 0.02 -0.01 -0.33 -0.04 1.22 0.86 2fx7H1 LEU 108 H 0.01 0.15 0.10 -0.55 8.37 8.08 2fx7H1 LEU 108 HA 0.06 0.17 0.74 -0.75 4.35 4.57 2fx7H1 LEU 108 HB2 -0.00 0.00 0.05 -0.04 1.64 1.65 2fx7H1 LEU 108 HB3 -0.00 -0.05 0.17 -0.04 1.64 1.72 2fx7H1 LEU 108 HG 0.02 0.00 -0.39 -0.04 1.64 1.23 2fx7H1 LEU 108 HD13 0.04 0.04 -0.15 -0.04 0.93 0.81 2fx7H1 LEU 108 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 2fx7H1 VAL 109 H 0.17 0.71 0.43 -0.55 8.24 9.00 2fx7H1 VAL 109 HA 0.02 0.23 1.03 -0.75 4.13 4.65 2fx7H1 VAL 109 HB 0.14 0.06 0.20 -0.04 2.12 2.48 2fx7H1 VAL 109 HG13 -0.06 -0.02 -0.24 -0.04 0.97 0.61 2fx7H1 VAL 109 HG23 -0.18 0.01 -0.14 -0.04 0.95 0.60 2fx7H1 THR 110 H 0.05 0.77 0.35 -0.55 8.28 8.91 2fx7H1 THR 110 HA 0.12 0.12 0.98 -0.75 4.39 4.86 2fx7H1 THR 110 HB 0.10 -0.01 0.17 -0.04 4.32 4.54 2fx7H1 THR 110 HG23 0.26 -0.01 -0.17 -0.04 1.22 1.27 2fx7H1 VAL 111 H 0.11 0.19 0.11 -0.55 8.24 8.10 2fx7H1 VAL 111 HA 0.07 0.35 0.77 -0.75 4.13 4.56 2fx7H1 VAL 111 HB 0.07 -0.05 -0.01 -0.04 2.12 2.08 2fx7H1 VAL 111 HG13 0.03 -0.02 -0.57 -0.04 0.97 0.37 2fx7H1 VAL 111 HG23 0.05 0.01 -0.28 -0.04 0.95 0.69 2fx7H1 SER 112 H 0.08 0.72 0.25 -0.55 8.46 8.96 2fx7H1 SER 112 HA 0.00 0.05 0.61 -0.75 4.49 4.41 2fx7H1 SER 112 HB2 0.13 0.12 -0.16 -0.04 3.95 4.01 2fx7H1 SER 112 HB3 0.26 0.03 -0.20 -0.04 3.93 3.99 2fx7H1 SER 113 H -0.10 0.15 0.17 -0.55 8.46 8.13 2fx7H1 SER 113 HA -0.06 0.17 0.76 -0.75 4.49 4.61 2fx7H1 SER 113 HB2 -0.08 0.01 0.06 -0.04 3.95 3.90 2fx7H1 SER 113 HB3 -0.06 0.01 0.15 -0.04 3.93 3.99 2fx7H1 ALA 114 H -0.35 -0.05 -0.16 -0.55 8.40 7.29 2fx7H1 ALA 114 HA -0.28 0.08 0.44 -0.75 4.34 3.83 2fx7H1 ALA 114 HB3 -1.07 0.02 -0.02 -0.04 1.41 0.29 2fx7H1 SER 115 H -0.18 0.14 0.10 -0.55 8.46 7.97 2fx7H1 SER 115 HA 0.03 0.16 0.80 -0.75 4.49 4.72 2fx7H1 SER 115 HB2 -0.01 -0.00 0.03 -0.04 3.95 3.92 2fx7H1 SER 115 HB3 0.03 0.02 0.06 -0.04 3.93 4.00 2fx7H1 THR 116 H 0.16 0.07 0.08 -0.55 8.28 8.04 2fx7H1 THR 116 HA 0.38 0.19 0.24 -0.75 4.39 4.45 2fx7H1 THR 116 HB 0.11 -0.06 0.08 -0.04 4.32 4.41 2fx7H1 THR 116 HG23 0.13 0.05 -0.16 -0.04 1.22 1.20 2fx7H1 LYS 117 H 0.32 0.65 0.35 -0.55 8.42 9.17 2fx7H1 LYS 117 HA 0.12 0.04 0.63 -0.75 4.32 4.35 2fx7H1 LYS 117 HB2 0.10 0.09 -0.18 -0.04 1.87 1.83 2fx7H1 LYS 117 HB3 0.15 -0.11 -0.05 -0.04 1.79 1.74 2fx7H1 LYS 117 HG2 0.08 0.35 -0.10 -0.04 1.46 1.75 2fx7H1 LYS 117 HG3 0.06 -0.09 0.09 -0.04 1.46 1.48 2fx7H1 LYS 117 HD2 0.04 -0.09 -0.05 -0.04 1.69 1.54 2fx7H1 LYS 117 HD3 0.05 -0.03 -0.14 -0.04 1.68 1.52 2fx7H1 LYS 117 HE2 0.04 -0.08 0.02 -0.04 2.99 2.92 2fx7H1 LYS 117 HE3 0.03 -0.14 0.00 -0.04 2.99 2.84 2fx7H1 GLY 118 H 0.10 0.12 0.16 -0.55 8.43 8.25 2fx7H1 GLY 118 HA2 0.13 0.05 0.65 -0.51 4.01 4.33 2fx7H1 GLY 118 HA3 0.09 0.02 0.32 -0.51 4.01 3.93 2fx7H1 PRO 119 HA 0.03 0.42 0.43 -0.51 4.44 4.80 2fx7H1 PRO 119 HB2 -0.04 0.02 -0.21 -0.04 2.28 2.01 2fx7H1 PRO 119 HB3 0.11 -0.04 -0.35 -0.04 2.02 1.69 2fx7H1 PRO 119 HG2 -0.12 -0.02 -0.17 -0.04 2.03 1.68 2fx7H1 PRO 119 HG3 -0.29 -0.02 -0.14 -0.04 2.03 1.54 2fx7H1 PRO 119 HD2 -0.06 0.01 0.16 -0.04 3.68 3.75 2fx7H1 PRO 119 HD3 -0.41 0.13 0.12 -0.04 3.65 3.44 2fx7H1 SER 120 H -0.10 0.55 0.31 -0.55 8.46 8.68 2fx7H1 SER 120 HA -0.22 0.11 0.74 -0.75 4.49 4.36 2fx7H1 SER 120 HB2 -0.33 -0.01 0.14 -0.04 3.95 3.71 2fx7H1 SER 120 HB3 -0.91 -0.02 -0.01 -0.04 3.93 2.95 2fx7H1 VAL 121 H -0.34 0.19 0.09 -0.55 8.24 7.63 2fx7H1 VAL 121 HA -0.24 0.29 1.05 -0.75 4.13 4.48 2fx7H1 VAL 121 HB -0.14 -0.03 0.09 -0.04 2.12 1.99 2fx7H1 VAL 121 HG13 -0.10 -0.01 -0.21 -0.04 0.97 0.61 2fx7H1 VAL 121 HG23 -0.14 0.01 -0.23 -0.04 0.95 0.55 2fx7H1 PHE 122 H -0.06 0.69 0.31 -0.55 8.34 8.73 2fx7H1 PHE 122 HA 0.02 0.22 0.98 -0.75 4.62 5.09 2fx7H1 PHE 122 HB2 0.03 -0.05 0.10 -0.04 3.15 3.19 2fx7H1 PHE 122 HB3 0.03 0.08 0.07 -0.04 3.06 3.20 2fx7H1 PHE 122 HD2 0.02 0.03 -0.03 -0.04 7.28 7.27 2fx7H1 PHE 122 HE2 0.02 -0.00 -0.05 -0.04 7.38 7.31 2fx7H1 PHE 122 HZ 0.02 0.01 -0.04 -0.04 7.32 7.27 2fx7H1 PRO 123 HA 0.14 0.17 0.69 -0.51 4.44 4.94 2fx7H1 PRO 123 HB2 0.11 -0.00 0.01 -0.04 2.28 2.36 2fx7H1 PRO 123 HB3 0.11 0.09 0.08 -0.04 2.02 2.25 2fx7H1 PRO 123 HG2 0.10 -0.02 0.12 -0.04 2.03 2.19 2fx7H1 PRO 123 HG3 0.10 0.07 0.11 -0.04 2.03 2.27 2fx7H1 PRO 123 HD2 0.24 0.07 0.27 -0.04 3.68 4.22 2fx7H1 PRO 123 HD3 0.16 0.19 0.22 -0.04 3.65 4.18 2fx7H1 LEU 124 H 0.16 0.66 0.11 -0.55 8.37 8.75 2fx7H1 LEU 124 HA 0.08 0.13 0.66 -0.75 4.35 4.47 2fx7H1 LEU 124 HB2 0.14 -0.17 0.00 -0.04 1.64 1.58 2fx7H1 LEU 124 HB3 0.08 0.04 -0.05 -0.04 1.64 1.67 2fx7H1 LEU 124 HG 0.14 -0.03 -0.50 -0.04 1.64 1.21 2fx7H1 LEU 124 HD13 0.13 -0.01 -0.24 -0.04 0.93 0.77 2fx7H1 LEU 124 HD23 0.08 0.04 -0.12 -0.04 0.89 0.84 2fx7H1 ALA 125 H 0.07 0.16 -0.16 -0.55 8.40 7.92 2fx7H1 ALA 125 HA 0.07 0.09 0.36 -0.75 4.34 4.12 2fx7H1 ALA 125 HB3 0.05 -0.00 0.03 -0.04 1.41 1.45 2fx7H1 PRO 126 HA -0.00 0.28 0.58 -0.51 4.44 4.79 2fx7H1 PRO 126 HB2 0.00 0.03 -0.07 -0.04 2.28 2.20 2fx7H1 PRO 126 HB3 -0.03 0.03 -0.08 -0.04 2.02 1.89 2fx7H1 PRO 126 HG2 0.04 -0.05 0.01 -0.04 2.03 1.99 2fx7H1 PRO 126 HG3 0.05 0.08 -0.04 -0.04 2.03 2.08 2fx7H1 PRO 126 HD2 0.06 0.12 -0.21 -0.04 3.68 3.61 2fx7H1 PRO 126 HD3 0.05 0.13 0.03 -0.04 3.65 3.83 2fx7H1 SER 127 H 0.00 0.14 0.23 -0.55 8.46 8.28 2fx7H1 SER 127 HA 0.01 0.05 0.42 -0.75 4.49 4.22 2fx7H1 SER 127 HB2 0.00 0.09 0.16 -0.04 3.95 4.16 2fx7H1 SER 127 HB3 0.00 0.02 0.10 -0.04 3.93 4.01 2fx7H1 SER 128 H 0.01 0.17 0.18 -0.55 8.46 8.28 2fx7H1 SER 128 HA 0.01 0.16 0.61 -0.75 4.49 4.51 2fx7H1 SER 128 HB2 0.01 0.00 0.21 -0.04 3.95 4.13 2fx7H1 SER 128 HB3 0.01 0.11 0.13 -0.04 3.93 4.15 2fx7H1 LYS 129 H 0.01 0.05 -0.75 -0.55 8.42 7.18 2fx7H1 LYS 129 HA 0.00 0.21 0.83 -0.75 4.32 4.60 2fx7H1 LYS 129 HB2 0.00 0.00 0.09 -0.04 1.87 1.92 2fx7H1 LYS 129 HB3 0.00 0.04 0.17 -0.04 1.79 1.97 2fx7H1 LYS 129 HG2 0.00 -0.13 -0.15 -0.04 1.46 1.14 2fx7H1 LYS 129 HG3 0.00 0.03 -0.00 -0.04 1.46 1.44 2fx7H1 LYS 129 HD2 0.00 0.13 -0.10 -0.04 1.69 1.68 2fx7H1 LYS 129 HD3 0.00 -0.00 -0.06 -0.04 1.68 1.58 2fx7H1 LYS 129 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2fx7H1 LYS 129 HE3 0.00 0.01 0.04 -0.04 2.99 3.00 2fx7H1 SER 130 H 0.00 -0.14 -0.27 -0.55 8.46 7.51 2fx7H1 SER 130 HA 0.00 0.13 0.41 -0.75 4.49 4.28 2fx7H1 SER 130 HB2 -0.00 0.07 0.04 -0.04 3.95 4.02 2fx7H1 SER 130 HB3 -0.00 0.05 -0.15 -0.04 3.93 3.79 2fx7H1 THR 133 H 0.01 -0.13 -0.05 -0.55 8.28 7.56 2fx7H1 THR 133 HA 0.01 0.09 0.28 -0.75 4.39 4.02 2fx7H1 THR 133 HB 0.01 -0.06 0.07 -0.04 4.32 4.29 2fx7H1 THR 133 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 2fx7H1 SER 134 H 0.01 0.02 -0.25 -0.55 8.46 7.68 2fx7H1 SER 134 HA 0.01 -0.01 0.48 -0.75 4.49 4.21 2fx7H1 SER 134 HB2 0.00 0.00 0.08 -0.04 3.95 4.00 2fx7H1 SER 134 HB3 0.00 -0.01 -0.01 -0.04 3.93 3.88 2fx7H1 GLY 135 H 0.01 0.09 0.22 -0.55 8.43 8.19 2fx7H1 GLY 135 HA2 0.00 -0.07 0.39 -0.51 4.01 3.82 2fx7H1 GLY 135 HA3 0.00 -0.01 0.35 -0.51 4.01 3.84 2fx7H1 GLY 136 H -0.00 0.01 0.18 -0.55 8.43 8.07 2fx7H1 GLY 136 HA2 -0.00 -0.02 0.37 -0.51 4.01 3.85 2fx7H1 GLY 136 HA3 -0.00 0.22 0.57 -0.51 4.01 4.29 2fx7H1 THR 137 H -0.01 0.19 0.21 -0.55 8.28 8.12 2fx7H1 THR 137 HA -0.02 0.13 0.99 -0.75 4.39 4.73 2fx7H1 THR 137 HB -0.02 -0.02 0.06 -0.04 4.32 4.30 2fx7H1 THR 137 HG23 -0.04 0.02 -0.17 -0.04 1.22 0.99 2fx7H1 ALA 138 H -0.05 0.75 0.32 -0.55 8.40 8.86 2fx7H1 ALA 138 HA -0.03 0.15 0.94 -0.75 4.34 4.65 2fx7H1 ALA 138 HB3 -0.04 0.02 -0.07 -0.04 1.41 1.28 2fx7H1 ALA 139 H -0.04 0.16 0.22 -0.55 8.40 8.19 2fx7H1 ALA 139 HA -0.12 0.32 1.12 -0.75 4.34 4.91 2fx7H1 ALA 139 HB3 -0.02 -0.01 -0.00 -0.04 1.41 1.34 2fx7H1 LEU 140 H -0.18 0.63 0.39 -0.55 8.37 8.67 2fx7H1 LEU 140 HA -0.00 0.26 0.60 -0.75 4.35 4.46 2fx7H1 LEU 140 HB2 0.02 0.04 0.12 -0.04 1.64 1.77 2fx7H1 LEU 140 HB3 -0.06 -0.02 -0.12 -0.04 1.64 1.40 2fx7H1 LEU 140 HG -0.40 0.06 -0.06 -0.04 1.64 1.19 2fx7H1 LEU 140 HD13 -0.32 -0.01 -0.29 -0.04 0.93 0.26 2fx7H1 LEU 140 HD23 -0.35 0.00 -0.15 -0.04 0.89 0.35 2fx7H1 GLY 141 H 0.15 0.52 0.31 -0.55 8.43 8.87 2fx7H1 GLY 141 HA2 0.43 0.03 0.48 -0.51 4.01 4.43 2fx7H1 GLY 141 HA3 0.24 0.10 0.61 -0.51 4.01 4.45 2fx7H1 CYS 142 H 0.37 0.69 0.40 -0.55 8.50 9.41 2fx7H1 CYS 142 HA 0.16 0.23 0.89 -0.75 4.58 5.10 2fx7H1 CYS 142 HB2 0.02 -0.05 0.02 -0.04 2.97 2.92 2fx7H1 CYS 142 HB3 -0.01 0.02 -0.12 -0.04 2.97 2.82 2fx7H1 LEU 143 H 0.14 0.82 0.26 -0.55 8.37 9.05 2fx7H1 LEU 143 HA 0.13 0.15 0.96 -0.75 4.35 4.83 2fx7H1 LEU 143 HB2 0.14 -0.00 -0.04 -0.04 1.64 1.70 2fx7H1 LEU 143 HB3 0.24 -0.02 0.15 -0.04 1.64 1.97 2fx7H1 LEU 143 HG 0.20 -0.03 -0.27 -0.04 1.64 1.50 2fx7H1 LEU 143 HD13 0.10 0.04 -0.12 -0.04 0.93 0.91 2fx7H1 LEU 143 HD23 0.16 -0.01 -0.07 -0.04 0.89 0.93 2fx7H1 VAL 144 H 0.10 0.77 0.30 -0.55 8.24 8.85 2fx7H1 VAL 144 HA -0.04 0.22 0.82 -0.75 4.13 4.37 2fx7H1 VAL 144 HB 0.06 -0.04 0.15 -0.04 2.12 2.25 2fx7H1 VAL 144 HG13 -0.13 -0.00 -0.20 -0.04 0.97 0.60 2fx7H1 VAL 144 HG23 -0.04 -0.00 -0.21 -0.04 0.95 0.66 2fx7H1 LYS 145 H -0.02 0.61 0.25 -0.55 8.42 8.71 2fx7H1 LYS 145 HA 0.16 0.22 1.47 -0.75 4.32 5.42 2fx7H1 LYS 145 HB2 0.11 -0.04 0.05 -0.04 1.87 1.96 2fx7H1 LYS 145 HB3 0.15 -0.04 -0.19 -0.04 1.79 1.67 2fx7H1 LYS 145 HG2 0.39 0.00 -0.05 -0.04 1.46 1.75 2fx7H1 LYS 145 HG3 0.13 0.00 0.05 -0.04 1.46 1.60 2fx7H1 LYS 145 HD2 0.32 -0.00 -0.07 -0.04 1.69 1.90 2fx7H1 LYS 145 HD3 0.14 0.03 -0.19 -0.04 1.68 1.62 2fx7H1 LYS 145 HE2 0.11 -0.02 -0.06 -0.04 2.99 2.99 2fx7H1 LYS 145 HE3 0.14 -0.00 -0.06 -0.04 2.99 3.03 2fx7H1 ASP 146 H 0.06 0.22 0.24 -0.55 8.40 8.38 2fx7H1 ASP 146 HA 0.00 -0.01 0.31 -0.75 4.63 4.18 2fx7H1 ASP 146 HB2 0.06 0.16 0.06 -0.04 2.71 2.95 2fx7H1 ASP 146 HB3 0.04 0.02 0.14 -0.04 2.70 2.86 2fx7H1 TYR 147 H -0.16 0.39 0.14 -0.55 8.29 8.12 2fx7H1 TYR 147 HA -0.01 0.38 0.65 -0.75 4.56 4.82 2fx7H1 TYR 147 HB2 -0.62 0.11 0.04 -0.04 3.06 2.55 2fx7H1 TYR 147 HB3 -0.21 -0.05 -0.30 -0.04 2.98 2.38 2fx7H1 TYR 147 HD2 -0.12 0.10 -0.41 -0.04 7.15 6.68 2fx7H1 TYR 147 HE2 -0.07 -0.05 -0.28 -0.04 6.85 6.42 2fx7H1 PHE 148 H 0.29 0.69 0.26 -0.55 8.34 9.02 2fx7H1 PHE 148 HA 0.27 -0.06 0.42 -0.75 4.62 4.50 2fx7H1 PHE 148 HB2 0.04 0.03 -0.13 -0.04 3.15 3.05 2fx7H1 PHE 148 HB3 0.09 0.15 -0.10 -0.04 3.06 3.16 2fx7H1 PHE 148 HD2 0.08 0.01 -0.35 -0.04 7.28 6.98 2fx7H1 PHE 148 HE2 0.09 0.01 -0.15 -0.04 7.38 7.29 2fx7H1 PHE 148 HZ 0.07 -0.00 -0.14 -0.04 7.32 7.21 2fx7H1 PRO 149 HA -0.91 0.05 0.28 -0.51 4.44 3.35 2fx7H1 PRO 149 HB2 -0.49 -0.01 0.10 -0.04 2.28 1.84 2fx7H1 PRO 149 HB3 -1.52 0.02 0.01 -0.04 2.02 0.48 2fx7H1 PRO 149 HG2 -0.16 0.26 -0.12 -0.04 2.03 1.98 2fx7H1 PRO 149 HG3 -0.18 -0.00 -0.01 -0.04 2.03 1.80 2fx7H1 PRO 149 HD2 0.00 0.06 0.36 -0.04 3.68 4.07 2fx7H1 PRO 149 HD3 -0.01 0.06 -0.07 -0.04 3.65 3.59 2fx7H1 GLU 150 H -0.31 0.07 0.07 -0.55 8.60 7.88 2fx7H1 GLU 150 HA 0.04 0.02 0.44 -0.75 4.29 4.03 2fx7H1 GLU 150 HB2 -0.20 -0.00 0.05 -0.04 2.09 1.90 2fx7H1 GLU 150 HB3 -0.13 0.01 0.05 -0.04 1.99 1.87 2fx7H1 GLU 150 HG2 -1.29 -0.03 -0.02 -0.04 2.34 0.96 2fx7H1 GLU 150 HG3 -0.48 0.03 -0.00 -0.04 2.34 1.84 2fx7H1 PRO 151 HA -0.00 -0.01 0.40 -0.51 4.44 4.32 2fx7H1 PRO 151 HB2 -0.03 0.08 0.02 -0.04 2.28 2.31 2fx7H1 PRO 151 HB3 -0.04 0.01 0.04 -0.04 2.02 2.00 2fx7H1 PRO 151 HG2 -0.04 0.00 -0.16 -0.04 2.03 1.79 2fx7H1 PRO 151 HG3 -0.04 0.03 -0.01 -0.04 2.03 1.97 2fx7H1 PRO 151 HD2 -0.06 0.05 0.31 -0.04 3.68 3.94 2fx7H1 PRO 151 HD3 -0.05 0.11 0.05 -0.04 3.65 3.72 2fx7H1 VAL 152 H -0.05 0.27 0.19 -0.55 8.24 8.10 2fx7H1 VAL 152 HA -0.09 0.29 0.93 -0.75 4.13 4.50 2fx7H1 VAL 152 HB -0.34 -0.07 -0.02 -0.04 2.12 1.65 2fx7H1 VAL 152 HG13 -0.22 -0.02 -0.27 -0.04 0.97 0.42 2fx7H1 VAL 152 HG23 -1.03 0.00 -0.22 -0.04 0.95 -0.33 2fx7H1 THR 153 H -0.08 0.57 0.35 -0.55 8.28 8.57 2fx7H1 THR 153 HA -0.04 0.19 1.00 -0.75 4.39 4.80 2fx7H1 THR 153 HB -0.03 0.03 0.04 -0.04 4.32 4.31 2fx7H1 THR 153 HG23 -0.03 0.00 -0.11 -0.04 1.22 1.04 2fx7H1 VAL 154 H -0.02 0.26 0.19 -0.55 8.24 8.12 2fx7H1 VAL 154 HA -0.12 0.41 1.06 -0.75 4.13 4.72 2fx7H1 VAL 154 HB 0.01 -0.02 -0.00 -0.04 2.12 2.06 2fx7H1 VAL 154 HG13 -0.22 -0.01 -0.18 -0.04 0.97 0.52 2fx7H1 VAL 154 HG23 -0.06 -0.01 -0.32 -0.04 0.95 0.51 2fx7H1 SER 156 H -0.19 0.53 0.34 -0.55 8.46 8.60 2fx7H1 SER 156 HA 0.06 0.22 0.73 -0.75 4.49 4.75 2fx7H1 SER 156 HB2 0.03 -0.04 0.08 -0.04 3.95 3.97 2fx7H1 SER 156 HB3 -0.01 0.09 -0.11 -0.04 3.93 3.85 2fx7H1 TRP 157 H 0.23 0.32 0.19 -0.55 7.97 8.16 2fx7H1 TRP 157 HA 0.03 0.30 1.12 -0.75 4.62 5.31 2fx7H1 TRP 157 HB2 0.02 0.24 0.09 -0.04 3.23 3.54 2fx7H1 TRP 157 HB3 0.07 -0.01 -0.04 -0.04 3.23 3.20 2fx7H1 TRP 157 HD1 -0.00 0.01 -0.29 -0.04 7.22 6.90 2fx7H1 TRP 157 HE1 0.01 -0.03 -0.30 -0.04 10.20 9.84 2fx7H1 TRP 157 HE3 0.12 -0.08 -0.26 -0.04 7.59 7.32 2fx7H1 TRP 157 HZ2 0.04 0.09 -0.20 -0.04 7.44 7.33 2fx7H1 TRP 157 HZ3 0.09 0.03 -0.35 -0.04 7.13 6.85 2fx7H1 TRP 157 HH2 0.04 0.03 -0.31 -0.04 7.19 6.90 2fx7H1 ASN 162 H 0.16 0.76 0.31 -0.55 8.53 9.21 2fx7H1 ASN 162 HA 0.08 0.08 0.34 -0.75 4.76 4.50 2fx7H1 ASN 162 HB2 0.16 -0.00 -0.10 -0.04 2.88 2.90 2fx7H1 ASN 162 HB3 0.07 0.05 0.20 -0.04 2.79 3.08 2fx7H1 ASN 162 HD21 0.04 0.22 0.09 -0.04 7.03 7.34 2fx7H1 ASN 162 HD22 0.10 -0.03 -0.04 -0.04 7.74 7.73 2fx7H1 SER 163 H 0.01 0.10 -0.28 -0.55 8.46 7.74 2fx7H1 SER 163 HA -0.01 0.02 0.16 -0.75 4.49 3.92 2fx7H1 SER 163 HB2 0.01 0.16 -0.13 -0.04 3.95 3.95 2fx7H1 SER 163 HB3 0.00 0.03 0.15 -0.04 3.93 4.08 2fx7H1 GLY 164 H 0.07 0.23 -0.44 -0.55 8.43 7.74 2fx7H1 GLY 164 HA2 0.06 -0.03 0.28 -0.51 4.01 3.81 2fx7H1 GLY 164 HA3 0.03 0.17 0.65 -0.51 4.01 4.34 2fx7H1 ALA 165 H 0.06 0.47 -0.25 -0.55 8.40 8.13 2fx7H1 ALA 165 HA 0.03 0.07 0.48 -0.75 4.34 4.17 2fx7H1 ALA 165 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 2fx7H1 LEU 166 H 0.12 0.33 -0.17 -0.55 8.37 8.10 2fx7H1 LEU 166 HA 0.06 0.11 0.91 -0.75 4.35 4.68 2fx7H1 LEU 166 HB2 0.15 0.02 -0.10 -0.04 1.64 1.66 2fx7H1 LEU 166 HB3 0.24 -0.07 -0.06 -0.04 1.64 1.71 2fx7H1 LEU 166 HG -0.04 0.00 -0.32 -0.04 1.64 1.24 2fx7H1 LEU 166 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.87 2fx7H1 LEU 166 HD23 0.13 -0.01 -0.14 -0.04 0.89 0.83 2fx7H1 THR 167 H 0.01 -0.01 0.15 -0.55 8.28 7.89 2fx7H1 THR 167 HA 0.02 0.19 0.87 -0.75 4.39 4.72 2fx7H1 THR 167 HB -0.00 -0.00 0.05 -0.04 4.32 4.32 2fx7H1 THR 167 HG23 0.04 0.02 -0.20 -0.04 1.22 1.04 2fx7H1 SER 168 H -0.03 -0.04 0.18 -0.55 8.46 8.03 2fx7H1 SER 168 HA -0.07 0.05 0.51 -0.75 4.49 4.23 2fx7H1 SER 168 HB2 -0.03 0.01 0.17 -0.04 3.95 4.06 2fx7H1 SER 168 HB3 -0.04 0.01 0.18 -0.04 3.93 4.05 2fx7H1 GLY 169 H -0.15 0.15 0.25 -0.55 8.43 8.13 2fx7H1 GLY 169 HA2 -0.23 -0.01 0.36 -0.51 4.01 3.62 2fx7H1 GLY 169 HA3 -0.18 0.15 0.57 -0.51 4.01 4.03 2fx7H1 VAL 171 H -0.23 0.40 -0.29 -0.55 8.24 7.57 2fx7H1 VAL 171 HA -0.33 0.23 0.81 -0.75 4.13 4.09 2fx7H1 VAL 171 HB -0.08 0.08 0.10 -0.04 2.12 2.18 2fx7H1 VAL 171 HG13 0.09 -0.02 -0.22 -0.04 0.97 0.78 2fx7H1 VAL 171 HG23 -0.23 0.02 -0.29 -0.04 0.95 0.40 2fx7H1 HIS 172 H -0.09 0.76 0.32 -0.55 8.41 8.84 2fx7H1 HIS 172 HA -0.19 0.16 0.86 -0.75 4.63 4.71 2fx7H1 HIS 172 HB2 -0.15 -0.05 0.11 -0.04 3.26 3.12 2fx7H1 HIS 172 HB3 -0.66 -0.00 -0.05 -0.04 3.20 2.45 2fx7H1 HIS 172 HD2 -0.02 -0.02 -0.12 -0.04 6.97 6.76 2fx7H1 HIS 172 HE1 -0.06 -0.03 -0.05 -0.04 7.75 7.57 2fx7H1 THR 173 H -0.07 0.25 0.10 -0.55 8.28 8.01 2fx7H1 THR 173 HA 0.10 0.12 1.09 -0.75 4.39 4.94 2fx7H1 THR 173 HB 0.03 -0.00 0.18 -0.04 4.32 4.48 2fx7H1 THR 173 HG23 0.08 0.02 -0.08 -0.04 1.22 1.19 2fx7H1 PHE 174 H 0.29 0.52 0.29 -0.55 8.34 8.90 2fx7H1 PHE 174 HA 0.06 0.11 0.59 -0.75 4.62 4.63 2fx7H1 PHE 174 HB2 0.07 -0.10 0.16 -0.04 3.15 3.24 2fx7H1 PHE 174 HB3 0.05 0.11 0.10 -0.04 3.06 3.28 2fx7H1 PHE 174 HD2 0.05 0.10 -0.04 -0.04 7.28 7.35 2fx7H1 PHE 174 HE2 0.02 -0.02 -0.07 -0.04 7.38 7.26 2fx7H1 PHE 174 HZ -0.02 -0.02 -0.07 -0.04 7.32 7.17 2fx7H1 PRO 175 HA 0.10 0.01 0.52 -0.51 4.44 4.55 2fx7H1 PRO 175 HB2 0.11 0.05 0.06 -0.04 2.28 2.46 2fx7H1 PRO 175 HB3 0.08 0.01 0.13 -0.04 2.02 2.20 2fx7H1 PRO 175 HG2 0.09 0.02 0.10 -0.04 2.03 2.20 2fx7H1 PRO 175 HG3 0.07 0.05 0.11 -0.04 2.03 2.22 2fx7H1 PRO 175 HD2 0.25 0.07 0.22 -0.04 3.68 4.18 2fx7H1 PRO 175 HD3 0.11 0.14 0.25 -0.04 3.65 4.11 2fx7H1 ALA 176 H 0.10 0.03 0.19 -0.55 8.40 8.17 2fx7H1 ALA 176 HA 0.17 0.18 0.62 -0.75 4.34 4.55 2fx7H1 ALA 176 HB3 0.16 -0.03 0.03 -0.04 1.41 1.53 2fx7H1 VAL 177 H 0.13 0.55 0.43 -0.55 8.24 8.80 2fx7H1 VAL 177 HA 0.11 0.19 0.87 -0.75 4.13 4.54 2fx7H1 VAL 177 HB 0.04 -0.00 0.02 -0.04 2.12 2.13 2fx7H1 VAL 177 HG13 0.05 0.03 -0.07 -0.04 0.97 0.94 2fx7H1 VAL 177 HG23 0.04 0.02 -0.00 -0.04 0.95 0.97 2fx7H1 LEU 178 H 0.04 0.20 0.10 -0.55 8.37 8.17 2fx7H1 LEU 178 HA -0.28 0.14 0.75 -0.75 4.35 4.21 2fx7H1 LEU 178 HB2 -0.06 -0.01 -0.03 -0.04 1.64 1.49 2fx7H1 LEU 178 HB3 -0.04 -0.01 0.14 -0.04 1.64 1.69 2fx7H1 LEU 178 HG -0.16 0.09 -0.20 -0.04 1.64 1.33 2fx7H1 LEU 178 HD13 -0.75 0.01 -0.26 -0.04 0.93 -0.10 2fx7H1 LEU 178 HD23 -0.05 -0.01 -0.02 -0.04 0.89 0.78 2fx7H1 GLN 179 H -0.15 0.63 0.23 -0.55 8.47 8.63 2fx7H1 GLN 179 HA -0.05 0.13 0.52 -0.75 4.36 4.20 2fx7H1 GLN 179 HB2 -0.08 -0.05 0.11 -0.04 2.15 2.10 2fx7H1 GLN 179 HB3 -0.04 -0.10 0.16 -0.04 2.02 1.99 2fx7H1 GLN 179 HG2 -0.02 -0.00 -0.05 -0.04 2.40 2.29 2fx7H1 GLN 179 HG3 -0.05 0.12 0.01 -0.04 2.39 2.43 2fx7H1 GLN 179 HE21 -0.00 -0.08 -0.11 -0.04 6.97 6.75 2fx7H1 GLN 179 HE22 -0.07 0.25 -0.43 -0.04 7.69 7.41 2fx7H1 SER 180 H -0.04 0.16 0.17 -0.55 8.46 8.20 2fx7H1 SER 180 HA -0.05 0.15 0.40 -0.75 4.49 4.24 2fx7H1 SER 180 HB2 -0.03 0.05 0.09 -0.04 3.95 4.02 2fx7H1 SER 180 HB3 -0.03 0.02 0.14 -0.04 3.93 4.03 2fx7H1 SER 182 H -0.06 -0.00 -0.28 -0.55 8.46 7.57 2fx7H1 SER 182 HA -0.06 0.14 0.44 -0.75 4.49 4.25 2fx7H1 SER 182 HB2 -0.05 0.08 0.05 -0.04 3.95 3.98 2fx7H1 SER 182 HB3 -0.04 -0.00 0.05 -0.04 3.93 3.90 2fx7H1 GLY 183 H -0.12 0.45 -0.47 -0.55 8.43 7.75 2fx7H1 GLY 183 HA2 -0.17 0.07 0.23 -0.51 4.01 3.63 2fx7H1 GLY 183 HA3 -0.17 0.09 0.61 -0.51 4.01 4.02 2fx7H1 LEU 184 H -0.14 -0.09 -0.24 -0.55 8.37 7.36 2fx7H1 LEU 184 HA -0.07 0.27 0.75 -0.75 4.35 4.55 2fx7H1 LEU 184 HB2 -0.07 -0.14 -0.04 -0.04 1.64 1.36 2fx7H1 LEU 184 HB3 -0.04 0.05 -0.08 -0.04 1.64 1.52 2fx7H1 LEU 184 HG -0.08 -0.02 -0.30 -0.04 1.64 1.20 2fx7H1 LEU 184 HD13 -0.00 0.02 -0.12 -0.04 0.93 0.78 2fx7H1 LEU 184 HD23 -0.02 0.03 -0.29 -0.04 0.89 0.57 2fx7H1 TYR 185 H -0.17 0.81 0.33 -0.55 8.29 8.70 2fx7H1 TYR 185 HA -0.17 0.27 0.92 -0.75 4.56 4.83 2fx7H1 TYR 185 HB2 -1.54 0.04 -0.03 -0.04 3.06 1.49 2fx7H1 TYR 185 HB3 -0.47 -0.04 0.01 -0.04 2.98 2.44 2fx7H1 TYR 185 HD2 -0.12 0.10 -0.18 -0.04 7.15 6.91 2fx7H1 TYR 185 HE2 -0.01 -0.01 -0.07 -0.04 6.85 6.72 2fx7H1 SER 186 H 0.07 0.48 0.39 -0.55 8.46 8.85 2fx7H1 SER 186 HA 0.18 0.27 0.86 -0.75 4.49 5.04 2fx7H1 SER 186 HB2 0.05 -0.10 -0.02 -0.04 3.95 3.84 2fx7H1 SER 186 HB3 0.05 -0.02 0.06 -0.04 3.93 3.99 2fx7H1 LEU 187 H 0.22 0.74 0.37 -0.55 8.37 9.16 2fx7H1 LEU 187 HA 0.16 0.16 0.68 -0.75 4.35 4.60 2fx7H1 LEU 187 HB2 0.19 0.23 0.01 -0.04 1.64 2.04 2fx7H1 LEU 187 HB3 0.23 -0.09 -0.15 -0.04 1.64 1.58 2fx7H1 LEU 187 HG 0.15 -0.04 -0.08 -0.04 1.64 1.62 2fx7H1 LEU 187 HD13 0.10 0.00 -0.44 -0.04 0.93 0.56 2fx7H1 LEU 187 HD23 0.10 0.03 -0.08 -0.04 0.89 0.89 2fx7H1 SER 188 H 0.22 0.27 0.19 -0.55 8.46 8.60 2fx7H1 SER 188 HA 0.17 0.26 1.11 -0.75 4.49 5.27 2fx7H1 SER 188 HB2 0.15 0.06 0.04 -0.04 3.95 4.16 2fx7H1 SER 188 HB3 0.09 -0.03 -0.08 -0.04 3.93 3.86 2fx7H1 SER 189 H 0.26 0.59 0.38 -0.55 8.46 9.14 2fx7H1 SER 189 HA 0.31 0.24 1.04 -0.75 4.49 5.33 2fx7H1 SER 189 HB2 0.20 0.00 -0.07 -0.04 3.95 4.04 2fx7H1 SER 189 HB3 0.33 -0.07 0.07 -0.04 3.93 4.22 2fx7H1 VAL 190 H 0.24 0.72 0.38 -0.55 8.24 9.02 2fx7H1 VAL 190 HA 0.11 0.20 1.19 -0.75 4.13 4.88 2fx7H1 VAL 190 HB 0.05 0.06 0.09 -0.04 2.12 2.28 2fx7H1 VAL 190 HG13 0.23 -0.03 -0.25 -0.04 0.97 0.88 2fx7H1 VAL 190 HG23 0.26 0.02 -0.10 -0.04 0.95 1.10 2fx7H1 VAL 191 H -0.30 0.69 0.40 -0.55 8.24 8.48 2fx7H1 VAL 191 HA -0.34 0.37 0.68 -0.75 4.13 4.09 2fx7H1 VAL 191 HB -1.05 -0.03 -0.27 -0.04 2.12 0.73 2fx7H1 VAL 191 HG13 -1.04 -0.02 -0.21 -0.04 0.97 -0.33 2fx7H1 VAL 191 HG23 -0.41 0.02 -0.29 -0.04 0.95 0.22 2fx7H1 THR 192 H -0.22 0.34 0.22 -0.55 8.28 8.06 2fx7H1 THR 192 HA -0.16 0.30 1.14 -0.75 4.39 4.91 2fx7H1 THR 192 HB -0.07 -0.02 -0.00 -0.04 4.32 4.19 2fx7H1 THR 192 HG23 -0.03 -0.02 -0.10 -0.04 1.22 1.03 2fx7H1 VAL 193 H -0.15 0.68 0.33 -0.55 8.24 8.55 2fx7H1 VAL 193 HA -0.10 0.16 0.71 -0.75 4.13 4.15 2fx7H1 VAL 193 HB -0.04 0.01 0.03 -0.04 2.12 2.08 2fx7H1 VAL 193 HG13 -0.47 -0.00 -0.42 -0.04 0.97 0.04 2fx7H1 VAL 193 HG23 -0.29 0.02 -0.29 -0.04 0.95 0.36 2fx7H1 PRO 194 HA -0.01 0.20 0.61 -0.51 4.44 4.73 2fx7H1 PRO 194 HB2 0.02 -0.07 0.08 -0.04 2.28 2.27 2fx7H1 PRO 194 HB3 0.00 0.05 0.12 -0.04 2.02 2.15 2fx7H1 PRO 194 HG2 0.01 0.06 0.07 -0.04 2.03 2.13 2fx7H1 PRO 194 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 2fx7H1 PRO 194 HD2 0.03 0.10 0.18 -0.04 3.68 3.95 2fx7H1 PRO 194 HD3 -0.02 0.17 0.19 -0.04 3.65 3.95 2fx7H1 SER 195 H -0.01 0.65 0.17 -0.55 8.46 8.73 2fx7H1 SER 195 HA 0.00 0.01 0.29 -0.75 4.49 4.04 2fx7H1 SER 195 HB2 0.00 -0.05 -0.21 -0.04 3.95 3.65 2fx7H1 SER 195 HB3 0.01 -0.03 -0.11 -0.04 3.93 3.75 2fx7H1 SER 196 H 0.01 0.04 -0.32 -0.55 8.46 7.65 2fx7H1 SER 196 HA 0.02 0.16 0.47 -0.75 4.49 4.38 2fx7H1 SER 196 HB2 0.01 0.02 0.12 -0.04 3.95 4.07 2fx7H1 SER 196 HB3 0.01 -0.04 0.12 -0.04 3.93 3.99 2fx7H1 SER 197 H 0.05 0.57 -0.51 -0.55 8.46 8.03 2fx7H1 SER 197 HA 0.04 0.14 0.77 -0.75 4.49 4.69 2fx7H1 SER 197 HB2 0.10 -0.04 0.06 -0.04 3.95 4.03 2fx7H1 SER 197 HB3 0.07 -0.06 0.00 -0.04 3.93 3.90 2fx7H1 LEU 198 H 0.07 0.40 -0.18 -0.55 8.37 8.11 2fx7H1 LEU 198 HA 0.18 0.12 0.39 -0.75 4.35 4.29 2fx7H1 LEU 198 HB2 0.05 0.08 0.08 -0.04 1.64 1.82 2fx7H1 LEU 198 HB3 0.07 -0.01 0.10 -0.04 1.64 1.75 2fx7H1 LEU 198 HG 0.05 0.04 0.06 -0.04 1.64 1.75 2fx7H1 LEU 198 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.85 2fx7H1 LEU 198 HD23 0.08 -0.01 -0.09 -0.04 0.89 0.82 2fx7H1 GLY 199 H 0.04 0.09 -0.52 -0.55 8.43 7.50 2fx7H1 GLY 199 HA2 0.03 0.22 0.82 -0.51 4.01 4.57 2fx7H1 GLY 199 HA3 0.02 -0.01 0.24 -0.51 4.01 3.75 2fx7H1 THR 200 H 0.01 0.25 -0.16 -0.55 8.28 7.84 2fx7H1 THR 200 HA -0.01 0.21 0.93 -0.75 4.39 4.77 2fx7H1 THR 200 HB -0.01 -0.03 0.13 -0.04 4.32 4.36 2fx7H1 THR 200 HG23 0.00 -0.01 -0.16 -0.04 1.22 1.01 2fx7H1 GLN 203 H -0.04 0.42 0.12 -0.55 8.47 8.42 2fx7H1 GLN 203 HA -0.14 0.13 0.95 -0.75 4.36 4.55 2fx7H1 GLN 203 HB2 -0.10 -0.04 -0.08 -0.04 2.15 1.90 2fx7H1 GLN 203 HB3 -0.17 0.09 0.04 -0.04 2.02 1.94 2fx7H1 GLN 203 HG2 -0.29 -0.06 -0.09 -0.04 2.40 1.91 2fx7H1 GLN 203 HG3 -1.02 0.07 -0.39 -0.04 2.39 1.01 2fx7H1 GLN 203 HE21 -0.06 -0.02 0.02 -0.04 6.97 6.87 2fx7H1 GLN 203 HE22 -0.06 -0.03 -0.01 -0.04 7.69 7.54 2fx7H1 THR 205 H -0.21 0.14 0.11 -0.55 8.28 7.77 2fx7H1 THR 205 HA -0.12 0.22 0.80 -0.75 4.39 4.54 2fx7H1 THR 205 HB -0.02 0.00 -0.06 -0.04 4.32 4.19 2fx7H1 THR 205 HG23 -0.04 0.02 -0.12 -0.04 1.22 1.04 2fx7H1 TYR 206 H 0.10 0.34 0.17 -0.55 8.29 8.34 2fx7H1 TYR 206 HA 0.20 0.09 0.86 -0.75 4.56 4.96 2fx7H1 TYR 206 HB2 0.16 0.16 0.15 -0.04 3.06 3.49 2fx7H1 TYR 206 HB3 0.29 -0.04 -0.07 -0.04 2.98 3.12 2fx7H1 TYR 206 HD2 0.04 0.02 -0.08 -0.04 7.15 7.09 2fx7H1 TYR 206 HE2 -0.02 -0.00 -0.20 -0.04 6.85 6.59 2fx7H1 ILE 207 H 0.35 0.14 0.13 -0.55 8.25 8.32 2fx7H1 ILE 207 HA 0.08 0.39 1.00 -0.75 4.18 4.89 2fx7H1 ILE 207 HB 0.04 -0.15 0.00 -0.04 1.89 1.74 2fx7H1 ILE 207 HG12 0.04 0.05 -0.27 -0.04 1.49 1.28 2fx7H1 ILE 207 HG13 0.07 -0.10 -0.59 -0.04 1.21 0.55 2fx7H1 ILE 207 HG23 -0.05 0.01 -0.54 -0.04 0.93 0.31 2fx7H1 ILE 207 HD13 0.01 0.01 -0.15 -0.04 0.88 0.71 2fx7H1 CYS 208 H -0.33 0.62 0.22 -0.55 8.50 8.45 2fx7H1 CYS 208 HA -1.24 0.20 1.01 -0.75 4.58 3.80 2fx7H1 CYS 208 HB2 -1.13 0.05 -0.04 -0.04 2.97 1.81 2fx7H1 CYS 208 HB3 -2.25 -0.01 -0.06 -0.04 2.97 0.62 2fx7H1 ASN 209 H -0.41 0.69 0.30 -0.55 8.53 8.56 2fx7H1 ASN 209 HA -0.17 0.26 0.93 -0.75 4.76 5.03 2fx7H1 ASN 209 HB2 -0.12 -0.08 0.09 -0.04 2.88 2.72 2fx7H1 ASN 209 HB3 -0.10 0.08 -0.06 -0.04 2.79 2.68 2fx7H1 ASN 209 HD21 -0.05 -0.06 -0.17 -0.04 7.03 6.71 2fx7H1 ASN 209 HD22 -0.08 0.12 -0.16 -0.04 7.74 7.57 2fx7H1 VAL 210 H -0.15 0.84 0.34 -0.55 8.24 8.73 2fx7H1 VAL 210 HA -0.14 0.26 0.98 -0.75 4.13 4.48 2fx7H1 VAL 210 HB -0.12 -0.07 0.08 -0.04 2.12 1.96 2fx7H1 VAL 210 HG13 -0.14 0.01 -0.21 -0.04 0.97 0.59 2fx7H1 VAL 210 HG23 -0.17 0.00 -0.21 -0.04 0.95 0.53 2fx7H1 ASN 211 H -0.09 0.62 0.31 -0.55 8.53 8.82 2fx7H1 ASN 211 HA -0.05 0.33 1.08 -0.75 4.76 5.37 2fx7H1 ASN 211 HB2 -0.06 -0.00 -0.20 -0.04 2.88 2.58 2fx7H1 ASN 211 HB3 -0.06 -0.07 0.13 -0.04 2.79 2.75 2fx7H1 ASN 211 HD21 -0.06 -0.00 -0.16 -0.04 7.03 6.77 2fx7H1 ASN 211 HD22 -0.06 -0.09 -0.39 -0.04 7.74 7.16 2fx7H1 HIS 212 H 0.01 0.77 0.17 -0.55 8.41 8.82 2fx7H1 HIS 212 HA -0.14 0.26 0.93 -0.75 4.63 4.93 2fx7H1 HIS 212 HB2 -0.22 0.00 -0.00 -0.04 3.26 3.00 2fx7H1 HIS 212 HB3 -0.09 -0.08 0.23 -0.04 3.20 3.22 2fx7H1 HIS 212 HD2 -0.19 0.30 0.06 -0.04 6.97 7.09 2fx7H1 HIS 212 HE1 0.12 0.22 -0.21 -0.04 7.75 7.83 2fx7H1 LYS 213 H -0.15 0.23 0.01 -0.55 8.42 7.95 2fx7H1 LYS 213 HA -0.11 0.02 0.35 -0.75 4.32 3.83 2fx7H1 LYS 213 HB2 -0.09 -0.01 0.06 -0.04 1.87 1.79 2fx7H1 LYS 213 HB3 -0.13 0.09 0.08 -0.04 1.79 1.79 2fx7H1 LYS 213 HG2 -0.08 0.03 -0.18 -0.04 1.46 1.19 2fx7H1 LYS 213 HG3 -0.07 -0.03 0.02 -0.04 1.46 1.35 2fx7H1 LYS 213 HD2 -0.05 -0.02 -0.02 -0.04 1.69 1.56 2fx7H1 LYS 213 HD3 -0.06 0.03 -0.03 -0.04 1.68 1.58 2fx7H1 LYS 213 HE2 -0.04 0.02 -0.04 -0.04 2.99 2.89 2fx7H1 LYS 213 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2fx7H1 PRO 214 HA -0.13 0.06 0.41 -0.51 4.44 4.27 2fx7H1 PRO 214 HB2 -0.33 0.08 -0.03 -0.04 2.28 1.96 2fx7H1 PRO 214 HB3 -0.11 0.01 0.08 -0.04 2.02 1.97 2fx7H1 PRO 214 HG2 -0.24 0.21 -0.09 -0.04 2.03 1.87 2fx7H1 PRO 214 HG3 -0.17 -0.00 0.02 -0.04 2.03 1.84 2fx7H1 PRO 214 HD2 -1.06 0.11 -0.12 -0.04 3.68 2.57 2fx7H1 PRO 214 HD3 -0.29 0.03 0.10 -0.04 3.65 3.45 2fx7H1 SER 215 H -0.28 0.19 -0.38 -0.55 8.46 7.45 2fx7H1 SER 215 HA 0.03 0.21 0.78 -0.75 4.49 4.75 2fx7H1 SER 215 HB2 0.13 -0.04 0.04 -0.04 3.95 4.04 2fx7H1 SER 215 HB3 0.26 0.03 -0.27 -0.04 3.93 3.91 2fx7H1 ASN 216 H -0.08 0.32 -0.25 -0.55 8.53 7.98 2fx7H1 ASN 216 HA -0.04 -0.01 0.27 -0.75 4.76 4.22 2fx7H1 ASN 216 HB2 -0.02 0.02 -0.08 -0.04 2.88 2.76 2fx7H1 ASN 216 HB3 -0.01 0.13 0.11 -0.04 2.79 2.98 2fx7H1 ASN 216 HD21 -0.01 -0.05 0.04 -0.04 7.03 6.97 2fx7H1 ASN 216 HD22 -0.01 0.02 0.08 -0.04 7.74 7.79 2fx7H1 THR 217 H 0.03 0.37 -0.12 -0.55 8.28 8.01 2fx7H1 THR 217 HA -0.00 0.17 0.73 -0.75 4.39 4.53 2fx7H1 THR 217 HB 0.07 -0.10 0.16 -0.04 4.32 4.40 2fx7H1 THR 217 HG23 -0.04 0.02 -0.14 -0.04 1.22 1.02 2fx7H1 LYS 218 H -0.02 0.28 0.01 -0.55 8.42 8.13 2fx7H1 LYS 218 HA -0.05 0.37 0.97 -0.75 4.32 4.86 2fx7H1 LYS 218 HB2 -0.03 0.00 0.13 -0.04 1.87 1.93 2fx7H1 LYS 218 HB3 -0.04 -0.02 0.01 -0.04 1.79 1.70 2fx7H1 LYS 218 HG2 -0.04 0.03 -0.28 -0.04 1.46 1.13 2fx7H1 LYS 218 HG3 -0.03 0.02 -0.55 -0.04 1.46 0.87 2fx7H1 LYS 218 HD2 -0.03 0.01 -0.08 -0.04 1.69 1.55 2fx7H1 LYS 218 HD3 -0.03 -0.01 -0.09 -0.04 1.68 1.50 2fx7H1 LYS 218 HE2 -0.04 -0.04 -0.14 -0.04 2.99 2.72 2fx7H1 LYS 218 HE3 -0.03 0.02 -0.13 -0.04 2.99 2.81 2fx7H1 VAL 219 H -0.07 0.44 0.13 -0.55 8.24 8.19 2fx7H1 VAL 219 HA -0.05 0.19 1.00 -0.75 4.13 4.51 2fx7H1 VAL 219 HB -0.09 -0.03 0.04 -0.04 2.12 2.00 2fx7H1 VAL 219 HG13 -0.07 -0.01 -0.17 -0.04 0.97 0.68 2fx7H1 VAL 219 HG23 -0.06 0.01 -0.14 -0.04 0.95 0.72 2fx7H1 ASP 220 H -0.06 0.25 0.08 -0.55 8.40 8.12 2fx7H1 ASP 220 HA -0.11 0.25 0.85 -0.75 4.63 4.86 2fx7H1 ASP 220 HB2 -0.04 0.01 0.16 -0.04 2.71 2.80 2fx7H1 ASP 220 HB3 -0.05 -0.03 -0.06 -0.04 2.70 2.52 2fx7H1 LYS 221 H -0.14 0.58 0.11 -0.55 8.42 8.42 2fx7H1 LYS 221 HA -0.03 0.13 0.81 -0.75 4.32 4.48 2fx7H1 LYS 221 HB2 -0.07 -0.01 -0.05 -0.04 1.87 1.70 2fx7H1 LYS 221 HB3 -0.10 -0.06 0.06 -0.04 1.79 1.65 2fx7H1 LYS 221 HG2 0.01 -0.02 -0.24 -0.04 1.46 1.17 2fx7H1 LYS 221 HG3 0.03 0.10 -0.35 -0.04 1.46 1.19 2fx7H1 LYS 221 HD2 0.00 -0.04 0.08 -0.04 1.69 1.69 2fx7H1 LYS 221 HD3 -0.02 0.02 -0.00 -0.04 1.68 1.64 2fx7H1 LYS 221 HE2 0.07 0.01 0.04 -0.04 2.99 3.08 2fx7H1 LYS 221 HE3 0.06 0.07 0.04 -0.04 2.99 3.12 2fx7H1 LYS 222 H 0.01 0.18 0.19 -0.55 8.42 8.25 2fx7H1 LYS 222 HA 0.07 0.13 0.71 -0.75 4.32 4.48 2fx7H1 LYS 222 HB2 0.03 -0.02 0.05 -0.04 1.87 1.89 2fx7H1 LYS 222 HB3 0.04 -0.02 0.15 -0.04 1.79 1.92 2fx7H1 LYS 222 HG2 0.07 0.04 -0.32 -0.04 1.46 1.22 2fx7H1 LYS 222 HG3 0.06 -0.02 -0.07 -0.04 1.46 1.39 2fx7H1 LYS 222 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.60 2fx7H1 LYS 222 HD3 0.03 -0.01 -0.05 -0.04 1.68 1.61 2fx7H1 LYS 222 HE2 0.04 0.04 -0.10 -0.04 2.99 2.93 2fx7H1 LYS 222 HE3 0.02 -0.04 -0.07 -0.04 2.99 2.86 2fx7H1 VAL 225 H 0.21 0.75 0.38 -0.55 8.24 9.03 2fx7H1 VAL 225 HA 0.13 0.10 0.90 -0.75 4.13 4.51 2fx7H1 VAL 225 HB 0.35 -0.02 0.10 -0.04 2.12 2.51 2fx7H1 VAL 225 HG13 0.17 -0.02 -0.13 -0.04 0.97 0.95 2fx7H1 VAL 225 HG23 0.27 0.02 -0.12 -0.04 0.95 1.08 2fx7H1 GLU 226 H 0.10 0.21 0.16 -0.55 8.60 8.52 2fx7H1 GLU 226 HA 0.12 0.22 0.92 -0.75 4.29 4.79 2fx7H1 GLU 226 HB2 0.06 0.10 0.12 -0.04 2.09 2.33 2fx7H1 GLU 226 HB3 0.08 -0.03 -0.15 -0.04 1.99 1.85 2fx7H1 GLU 226 HG2 0.07 -0.06 -0.05 -0.04 2.34 2.26 2fx7H1 GLU 226 HG3 0.05 0.11 -0.13 -0.04 2.34 2.33 2fx7H1 PRO 227 HA 0.04 0.06 0.44 -0.51 4.44 4.48 2fx7H1 PRO 227 HB2 0.04 0.00 0.04 -0.04 2.28 2.32 2fx7H1 PRO 227 HB3 0.03 0.03 0.06 -0.04 2.02 2.10 2fx7H1 PRO 227 HG2 0.05 0.07 0.07 -0.04 2.03 2.17 2fx7H1 PRO 227 HG3 0.06 0.02 0.08 -0.04 2.03 2.14 2fx7H1 PRO 227 HD2 0.06 0.11 0.23 -0.04 3.68 4.04 2fx7H1 PRO 227 HD3 0.10 0.16 0.28 -0.04 3.65 4.14 2fx7H1 LYS 228 H 0.03 0.10 0.08 -0.55 8.42 8.08 2fx7H1 LYS 228 HA 0.03 0.24 0.58 -0.75 4.32 4.41 2fx7H1 LYS 228 HB2 0.03 0.04 0.05 -0.04 1.87 1.95 2fx7H1 LYS 228 HB3 0.02 -0.03 0.10 -0.04 1.79 1.84 2fx7H1 LYS 228 HG2 0.02 -0.02 0.06 -0.04 1.46 1.48 2fx7H1 LYS 228 HG3 0.02 0.04 0.05 -0.04 1.46 1.53 2fx7H1 LYS 228 HD2 0.02 0.01 0.02 -0.04 1.69 1.70 2fx7H1 LYS 228 HD3 0.01 -0.02 0.03 -0.04 1.68 1.65 2fx7H1 LYS 228 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 2fx7H1 LYS 228 HE3 0.01 0.02 0.02 -0.04 2.99 3.00