#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbv s GLN 2 N 0.00 3.54 -0.12 0.54 0.74 -1.26 -5.09 119.66 118.02 1hbv s GLN 2 Ca 0.00 -0.41 -0.00 0.00 0.05 0.00 0.00 55.36 55.00 1hbv s GLN 2 Cb 0.00 -2.99 0.02 0.00 1.10 0.00 0.00 33.01 31.15 1hbv s GLN 2 CO 0.00 0.43 -0.10 0.42 -0.55 0.00 0.00 175.29 175.49 1hbv s ILE 3 N -0.10 1.21 0.59 -2.34 1.01 -1.26 -5.12 121.20 115.18 1hbv s ILE 3 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1hbv s ILE 3 Cb -0.13 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1hbv s ILE 3 CO 0.02 0.40 0.90 0.42 0.00 0.00 0.00 174.94 176.68 1hbv s THR 4 N 1.57 3.73 -0.37 2.92 -4.23 -1.26 -5.03 115.64 112.98 1hbv s THR 4 Ca 0.04 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1hbv s THR 4 Cb -0.13 -3.48 0.53 0.00 1.34 0.00 0.00 72.50 70.76 1hbv s THR 4 CO -0.08 -0.51 1.59 0.18 -0.54 0.00 0.00 174.62 175.26 1hbv n LEU 5 N -2.59 5.14 0.00 4.79 4.77 -1.26 -4.51 117.00 123.34 1hbv n LEU 5 Ca 0.04 -3.92 0.14 0.00 -0.03 0.00 0.00 56.01 52.24 1hbv n LEU 5 Cb 0.57 -0.69 0.72 0.00 -2.33 0.00 0.00 43.42 41.69 1hbv n LEU 5 CO 0.53 1.35 0.99 0.79 -1.33 0.00 0.00 177.39 179.71 1hbv n TRP 6 N -1.07 0.00 -4.06 -1.77 7.02 -1.26 -4.76 117.44 111.54 1hbv n TRP 6 Ca 0.43 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.84 1hbv n TRP 6 Cb 1.11 -0.29 -0.10 0.00 -2.42 0.00 0.00 31.31 29.62 1hbv n TRP 6 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1hbv s GLN 7 N -2.57 0.56 0.22 -0.99 0.00 -1.26 -5.13 119.66 110.48 1hbv s GLN 7 Ca 0.27 -1.09 -0.32 0.00 -0.00 0.00 0.00 55.36 54.22 1hbv s GLN 7 Cb 0.19 0.19 -0.12 0.00 0.00 0.00 0.00 33.01 33.27 1hbv s GLN 7 CO 0.43 -0.10 1.72 0.54 0.00 0.00 0.00 175.29 177.88 1hbv n ARG 8 N 0.40 2.78 -2.40 9.60 1.74 -1.26 -4.89 116.66 122.64 1hbv n ARG 8 Ca -0.16 1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.52 1hbv n ARG 8 Cb 0.60 -2.85 -0.01 0.00 -1.02 0.00 0.00 32.46 29.18 1hbv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hbv n PRO 9 N 3.84 2.84 -3.61 5.56 -0.04 -1.26 -4.96 135.00 137.37 1hbv n PRO 9 Ca 0.15 -3.05 -0.32 0.00 -0.04 0.00 0.00 63.50 60.24 1hbv n PRO 9 Cb 0.35 -3.52 -0.05 0.00 -0.04 0.00 0.00 33.50 30.24 1hbv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hbv s LEU 10 N 5.32 4.26 -0.00 1.53 1.43 -1.26 -0.89 118.68 129.07 1hbv s LEU 10 Ca 0.56 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 1hbv s LEU 10 Cb 0.04 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.94 1hbv s LEU 10 CO 0.08 0.05 0.24 0.54 0.23 0.00 0.00 176.35 177.49 1hbv s VAL 11 N -1.65 0.07 0.18 -1.59 0.11 -0.18 -4.95 120.40 112.40 1hbv s VAL 11 Ca 0.41 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1hbv s VAL 11 Cb -0.12 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 34.08 1hbv s VAL 11 CO 0.23 -0.32 0.97 -0.89 -3.33 0.00 0.00 175.10 171.76 1hbv s THR 12 N -1.45 4.20 0.20 5.04 2.01 -1.26 -0.45 115.64 123.94 1hbv s THR 12 Ca -0.13 2.01 0.09 0.00 0.31 0.00 0.00 61.69 63.96 1hbv s THR 12 Cb -0.06 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1hbv s THR 12 CO 0.03 0.40 -0.17 0.27 -0.69 0.00 0.00 174.62 174.46 1hbv s ILE 13 N -0.60 1.86 -0.15 1.82 -4.36 -0.33 -1.25 121.20 118.20 1hbv s ILE 13 Ca 0.44 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1hbv s ILE 13 Cb -0.25 -2.00 0.03 0.00 1.25 0.00 0.00 42.46 41.49 1hbv s ILE 13 CO 0.32 -0.46 -0.10 -0.75 0.24 0.00 0.00 174.94 174.18 1hbv s LYS 14 N -3.30 1.88 -0.03 0.37 2.20 -0.45 -2.50 119.74 117.91 1hbv s LYS 14 Ca 0.21 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1hbv s LYS 14 Cb -0.03 -1.99 0.03 0.00 -1.51 0.00 0.00 37.83 34.33 1hbv s LYS 14 CO 0.08 -0.31 0.02 -1.50 -0.36 0.00 0.00 175.35 173.28 1hbv s ILE 15 N 1.56 0.03 -1.65 5.43 1.10 -0.55 -1.26 121.20 125.86 1hbv s ILE 15 Ca 0.03 0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 1hbv s ILE 15 Cb -0.14 -0.17 0.00 0.00 0.15 0.00 0.00 42.46 42.30 1hbv s ILE 15 CO -0.09 0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.48 1hbv n GLY 16 N 4.34 -0.43 1.87 1.50 0.00 -1.26 -1.07 105.19 110.14 1hbv n GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1hbv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbv n GLY 17 N -0.96 2.21 3.80 -0.02 0.00 -1.26 -5.03 105.19 103.93 1hbv n GLY 17 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1hbv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hbv s GLN 18 N -0.44 2.92 -0.18 1.61 -0.21 -0.23 -5.10 119.66 118.03 1hbv s GLN 18 Ca 0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 55.36 54.49 1hbv s GLN 18 Cb 0.00 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1hbv s GLN 18 CO 0.00 0.51 0.08 -0.51 -2.12 0.00 0.00 175.29 173.25 1hbv s LEU 19 N -2.91 3.94 0.22 2.90 1.02 -1.26 -1.47 118.68 121.12 1hbv s LEU 19 Ca 0.31 0.14 -0.03 0.00 0.02 0.00 0.00 54.13 54.57 1hbv s LEU 19 Cb -0.11 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 1hbv s LEU 19 CO 0.23 0.19 0.23 -0.54 0.02 0.00 0.00 176.35 176.48 1hbv s LYS 20 N 0.28 1.34 -0.08 1.70 1.02 -1.04 -5.01 119.74 117.94 1hbv s LYS 20 Ca 0.05 -1.58 0.04 0.00 0.02 0.00 0.00 55.97 54.50 1hbv s LYS 20 Cb -0.12 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1hbv s LYS 20 CO -0.00 -0.48 -0.21 -2.00 -0.92 0.00 0.00 175.35 171.74 1hbv s GLU 21 N -4.04 2.88 0.09 1.68 2.12 -1.26 -1.19 118.70 118.97 1hbv s GLU 21 Ca 0.35 -0.82 0.05 0.00 0.36 0.00 0.00 54.97 54.90 1hbv s GLU 21 Cb 0.05 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 1hbv s GLU 21 CO 0.13 0.32 -0.12 0.00 -0.54 0.00 0.00 175.26 175.04 1hbv s ALA 22 N 0.03 1.16 -0.04 6.30 0.00 0.41 -4.58 121.76 125.04 1hbv s ALA 22 Ca -0.08 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 1hbv s ALA 22 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1hbv s ALA 22 CO 0.05 0.07 0.75 -1.17 0.00 0.00 0.00 175.76 175.45 1hbv s LEU 23 N -2.12 4.34 -0.43 0.00 0.20 0.15 -1.01 118.68 119.81 1hbv s LEU 23 Ca 0.02 1.29 -0.29 0.00 0.69 0.00 0.00 54.13 55.84 1hbv s LEU 23 Cb -0.06 -3.17 0.02 0.00 -0.43 0.00 0.00 46.19 42.55 1hbv s LEU 23 CO 0.01 -0.12 1.22 -0.76 -0.29 0.00 0.00 176.35 176.41 1hbv s LEU 24 N 0.73 3.68 -0.32 -0.68 1.02 -0.07 -1.27 118.68 121.77 1hbv s LEU 24 Ca 0.40 0.70 0.01 0.00 0.02 0.00 0.00 54.13 55.25 1hbv s LEU 24 Cb -0.18 -3.55 0.08 0.00 0.02 0.00 0.00 46.19 42.56 1hbv s LEU 24 CO 0.20 -1.24 0.02 -0.62 0.02 0.00 0.00 176.35 174.73 1hbv s ASP 25 N 2.78 4.81 0.27 2.29 -1.08 -0.01 -4.82 116.67 120.92 1hbv s ASP 25 Ca 0.52 -1.69 0.25 0.00 -0.52 0.00 0.00 52.55 51.12 1hbv s ASP 25 Cb -0.10 -1.67 0.89 0.00 -1.46 0.00 0.00 42.92 40.57 1hbv s ASP 25 CO 0.29 -0.33 1.76 0.71 0.52 0.00 0.00 175.17 178.12 1hbv h THR 26 N 6.56 0.00 -0.03 1.71 1.35 -1.95 -3.11 112.91 117.44 1hbv h THR 26 Ca -0.14 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1hbv h THR 26 Cb 1.04 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1hbv h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1hbv n GLY 27 N 0.68 -0.30 3.35 5.82 0.00 -1.26 -4.80 105.19 108.68 1hbv n GLY 27 Ca 0.04 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1hbv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbv s ALA 28 N -1.97 2.53 0.08 4.61 0.00 -1.17 -4.99 121.76 120.85 1hbv s ALA 28 Ca 0.39 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1hbv s ALA 28 Cb 0.20 -1.11 -0.26 0.00 0.00 0.00 0.00 23.12 21.95 1hbv s ALA 28 CO 0.32 0.29 1.13 -0.44 0.00 0.00 0.00 175.76 177.06 1hbv h ASP 29 N 6.57 0.28 -2.04 0.00 3.32 -1.87 0.17 116.42 122.84 1hbv h ASP 29 Ca -0.26 -0.31 -0.53 0.00 0.02 0.00 0.00 57.03 55.94 1hbv h ASP 29 Cb 1.21 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 1hbv h ASP 29 CO 0.53 1.25 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.94 1hbv s ASP 30 N -6.96 4.93 -0.22 6.45 1.01 -1.26 -2.01 116.67 118.61 1hbv s ASP 30 Ca -0.03 -0.57 -0.11 0.00 0.71 0.00 0.00 52.55 52.55 1hbv s ASP 30 Cb 0.08 -0.96 -0.05 0.00 1.01 0.00 0.00 42.92 43.00 1hbv s ASP 30 CO 0.86 -0.16 0.17 -0.89 0.21 0.00 0.00 175.17 175.37 1hbv s THR 31 N -2.31 5.36 -0.09 -1.27 2.01 -1.26 -3.32 115.64 114.76 1hbv s THR 31 Ca 0.35 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1hbv s THR 31 Cb -0.05 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1hbv s THR 31 CO 0.23 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 1hbv s VAL 32 N 0.77 1.11 0.16 3.82 1.01 -0.68 -1.57 120.40 125.02 1hbv s VAL 32 Ca 0.09 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1hbv s VAL 32 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1hbv s VAL 32 CO 0.02 0.37 -0.25 -0.76 0.00 0.00 0.00 175.10 174.48 1hbv s LEU 33 N 1.17 2.39 0.59 3.92 1.43 0.95 -0.75 118.68 128.38 1hbv s LEU 33 Ca -0.05 -0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 1hbv s LEU 33 Cb -0.14 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1hbv s LEU 33 CO -0.02 0.15 1.13 -1.83 0.23 0.00 0.00 176.35 176.01 1hbv s GLU 34 N -2.39 3.13 -0.15 1.70 -1.05 -1.26 -0.60 118.70 118.08 1hbv s GLU 34 Ca 0.18 1.57 -0.40 0.00 -0.15 0.00 0.00 54.97 56.16 1hbv s GLU 34 Cb -0.09 -1.98 -0.17 0.00 -0.44 0.00 0.00 34.13 31.45 1hbv s GLU 34 CO 0.08 -1.02 1.47 0.39 0.95 0.00 0.00 175.26 177.13 1hbv n GLU 35 N -1.69 0.76 -3.62 -4.83 -0.58 -0.77 -4.57 120.64 105.33 1hbv n GLU 35 Ca 0.11 0.28 -0.10 0.00 -0.42 0.00 0.00 57.16 57.03 1hbv n GLU 35 Cb 0.51 -1.88 -0.03 0.00 -0.57 0.00 0.00 31.44 29.46 1hbv n GLU 35 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1hbv s MET 36 N 1.86 1.29 -0.50 3.49 -2.45 -1.26 -5.02 119.30 116.70 1hbv s MET 36 Ca 0.94 -0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 54.38 1hbv s MET 36 Cb -1.14 0.53 0.02 0.00 1.25 0.00 0.00 34.83 35.50 1hbv s MET 36 CO 0.61 -0.55 1.24 0.45 1.05 0.00 0.00 175.02 177.82 1hbv s SER 37 N -2.82 6.47 -0.08 1.11 0.15 -1.26 -5.00 113.70 112.27 1hbv s SER 37 Ca 0.05 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.18 1hbv s SER 37 Cb -0.01 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1hbv s SER 37 CO -0.08 -1.40 -0.23 -0.76 1.20 0.00 0.00 173.24 171.98 1hbv s LEU 38 N 4.96 2.03 0.11 3.45 2.01 -1.26 -4.92 118.68 125.05 1hbv s LEU 38 Ca 0.50 -0.50 -0.31 0.00 0.01 0.00 0.00 54.13 53.83 1hbv s LEU 38 Cb -0.09 -1.31 -0.09 0.00 0.01 0.00 0.00 46.19 44.71 1hbv s LEU 38 CO 0.30 0.18 1.55 -2.16 1.01 0.00 0.00 176.35 177.23 1hbv s PRO 39 N 0.15 4.23 0.00 1.29 0.04 -1.26 -4.93 135.00 134.52 1hbv s PRO 39 Ca -0.12 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1hbv s PRO 39 Cb -0.16 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1hbv s PRO 39 CO 0.06 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1hbv n GLY 40 N 3.78 -0.01 3.91 0.56 0.00 -1.26 -5.04 105.19 107.13 1hbv n GLY 40 Ca 0.14 -2.25 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 1hbv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbv s ARG 41 N 0.00 3.23 0.26 1.61 0.52 -1.26 -5.13 118.95 118.17 1hbv s ARG 41 Ca 0.00 -0.86 -0.16 0.00 -0.52 0.00 0.00 55.73 54.20 1hbv s ARG 41 Cb 0.00 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1hbv s ARG 41 CO 0.00 0.43 0.57 1.67 0.02 0.00 0.00 175.30 177.99 1hbv s TRP 42 N -2.00 0.16 -0.04 -0.53 1.48 -1.26 -4.74 118.94 112.01 1hbv s TRP 42 Ca 0.33 -0.56 0.06 0.00 -1.06 0.00 0.00 56.10 54.87 1hbv s TRP 42 Cb -0.09 0.38 -0.01 0.00 -1.16 0.00 0.00 33.47 32.59 1hbv s TRP 42 CO 0.27 -1.09 -0.21 0.15 -4.06 0.00 0.00 176.95 172.01 1hbv s LYS 43 N -3.97 2.09 0.39 3.25 1.02 -0.45 -4.80 119.74 117.27 1hbv s LYS 43 Ca 0.18 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 1hbv s LYS 43 Cb -0.03 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.35 1hbv s LYS 43 CO 0.08 0.35 1.41 -1.25 -0.92 0.00 0.00 175.35 175.03 1hbv s PRO 44 N -0.17 4.01 0.16 -1.68 0.04 -1.26 0.10 135.00 136.21 1hbv s PRO 44 Ca -0.01 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1hbv s PRO 44 Cb -0.12 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1hbv s PRO 44 CO 0.02 -0.55 0.32 0.21 0.04 0.00 0.00 177.00 177.04 1hbv s LYS 45 N -2.17 1.17 -0.11 4.56 2.47 -0.16 -4.90 119.74 120.61 1hbv s LYS 45 Ca 0.55 -1.09 -0.01 0.00 -1.56 0.00 0.00 55.97 53.86 1hbv s LYS 45 Cb -0.43 0.40 0.03 0.00 -1.46 0.00 0.00 37.83 36.37 1hbv s LYS 45 CO 0.57 -0.44 -0.05 -1.64 0.16 0.00 0.00 175.35 173.96 1hbv s MET 46 N -3.94 1.21 -0.02 4.03 -1.94 -1.26 -0.08 119.30 117.30 1hbv s MET 46 Ca 0.15 -0.18 -0.01 0.00 -1.71 0.00 0.00 55.69 53.94 1hbv s MET 46 Cb 0.03 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1hbv s MET 46 CO -0.01 -0.31 0.06 -1.50 -0.01 0.00 0.00 175.02 173.25 1hbv s ILE 47 N 1.79 4.63 0.18 2.53 2.07 -0.52 -4.94 121.20 126.94 1hbv s ILE 47 Ca 0.04 -0.39 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 1hbv s ILE 47 Cb -0.13 -3.08 -0.05 0.00 0.13 0.00 0.00 42.46 39.32 1hbv s ILE 47 CO -0.07 0.40 0.42 -0.83 -1.91 0.00 0.00 174.94 172.94 1hbv s GLY 48 N -1.57 2.10 0.29 1.50 0.00 -1.26 -1.31 107.32 107.07 1hbv s GLY 48 Ca 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 44.72 44.29 1hbv s GLY 48 CO 0.11 -0.51 0.46 0.61 0.00 0.00 0.00 173.10 173.77 1hbv n GLY 49 N -0.21 1.97 0.24 0.20 0.00 0.68 -4.99 105.19 103.09 1hbv n GLY 49 Ca -0.02 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 1hbv n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hbv h ILE 50 N 1.79 1.28 -0.00 -0.61 -0.00 -2.03 -2.43 117.51 115.51 1hbv h ILE 50 Ca -0.23 -1.39 0.00 0.00 -0.00 0.00 0.00 64.86 63.24 1hbv h ILE 50 Cb 0.95 1.38 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 1hbv h ILE 50 CO 0.30 0.45 -0.04 0.61 -0.00 0.00 0.00 178.15 179.47 1hbv n GLY 51 N -0.22 -0.80 0.00 0.16 0.00 -1.26 -5.02 105.19 98.05 1hbv n GLY 51 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1hbv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hbv n GLY 52 N 1.16 0.58 3.33 -0.02 0.00 -0.92 -5.11 105.19 104.21 1hbv n GLY 52 Ca 0.19 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 1hbv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hbv s PHE 53 N -2.93 2.05 0.10 1.61 0.40 -1.26 -0.23 117.98 117.72 1hbv s PHE 53 Ca 0.00 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1hbv s PHE 53 Cb 0.00 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1hbv s PHE 53 CO 0.00 0.24 -0.13 0.96 0.70 0.00 0.00 175.22 176.99 1hbv s ILE 54 N -1.05 1.18 -0.04 0.64 -4.36 -0.43 -4.99 121.20 112.16 1hbv s ILE 54 Ca 0.10 -1.58 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1hbv s ILE 54 Cb -0.10 -1.36 -0.05 0.00 1.25 0.00 0.00 42.46 42.20 1hbv s ILE 54 CO 0.05 -0.39 0.45 -0.54 0.24 0.00 0.00 174.94 174.74 1hbv s LYS 55 N -2.43 4.13 0.18 0.37 -0.14 -1.26 -1.43 119.74 119.16 1hbv s LYS 55 Ca 0.05 0.46 -0.00 0.00 -1.36 0.00 0.00 55.97 55.12 1hbv s LYS 55 Cb -0.06 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1hbv s LYS 55 CO 0.02 0.47 0.08 0.14 -0.76 0.00 0.00 175.35 175.30 1hbv s VAL 56 N -0.40 0.24 -0.14 3.17 -7.23 0.89 -4.58 120.40 112.35 1hbv s VAL 56 Ca 0.25 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1hbv s VAL 56 Cb -0.16 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1hbv s VAL 56 CO 0.13 -0.23 0.08 -0.13 -0.31 0.00 0.00 175.10 174.64 1hbv s ARG 57 N -4.06 3.59 -0.23 4.82 0.52 -0.67 -0.98 118.95 121.93 1hbv s ARG 57 Ca 0.32 -0.27 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 1hbv s ARG 57 Cb 0.07 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1hbv s ARG 57 CO 0.08 0.55 -0.02 -1.14 0.02 0.00 0.00 175.30 174.79 1hbv s GLN 58 N -0.41 3.40 -0.21 3.54 0.74 0.29 -1.60 119.66 125.41 1hbv s GLN 58 Ca 0.10 -0.62 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 1hbv s GLN 58 Cb -0.12 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1hbv s GLN 58 CO 0.02 -0.21 0.01 0.71 -0.55 0.00 0.00 175.29 175.26 1hbv s TYR 59 N 1.50 3.04 0.20 1.67 2.02 -0.59 -1.34 117.35 123.84 1hbv s TYR 59 Ca 0.06 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1hbv s TYR 59 Cb -0.15 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1hbv s TYR 59 CO -0.02 -0.29 0.19 -0.51 -1.57 0.00 0.00 175.55 173.35 1hbv s ASP 60 N 1.14 5.67 -1.46 2.29 1.01 -1.26 -0.83 116.67 123.24 1hbv s ASP 60 Ca 0.03 -0.12 -0.10 0.00 0.71 0.00 0.00 52.55 53.07 1hbv s ASP 60 Cb -0.14 -1.51 0.04 0.00 1.01 0.00 0.00 42.92 42.32 1hbv s ASP 60 CO 0.02 0.02 0.92 0.00 0.21 0.00 0.00 175.17 176.34 1hbv n GLN 61 N -0.70 -6.00 -3.49 8.23 1.13 -0.86 -4.87 117.38 110.82 1hbv n GLN 61 Ca -0.08 0.73 -0.38 0.00 -1.94 0.00 0.00 57.00 55.34 1hbv n GLN 61 Cb 0.56 -5.66 -0.08 0.00 0.11 0.00 0.00 30.24 25.17 1hbv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hbv s ILE 62 N -3.24 5.26 0.19 5.09 -1.09 0.74 -4.76 121.20 123.38 1hbv s ILE 62 Ca 0.54 0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 1hbv s ILE 62 Cb -0.25 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 1hbv s ILE 62 CO 0.66 0.29 1.13 -0.22 -1.23 0.00 0.00 174.94 175.56 1hbv s LEU 63 N 1.20 4.48 -0.10 2.97 2.96 -1.26 -2.43 118.68 126.50 1hbv s LEU 63 Ca 0.15 2.14 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1hbv s LEU 63 Cb -0.14 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.97 1hbv s LEU 63 CO 0.07 -0.26 0.29 -0.51 -1.32 0.00 0.00 176.35 174.62 1hbv s ILE 64 N -0.26 0.01 -0.44 6.68 2.07 -0.21 -4.52 121.20 124.53 1hbv s ILE 64 Ca 0.50 -0.08 -0.07 0.00 -1.41 0.00 0.00 60.65 59.59 1hbv s ILE 64 Cb -0.30 -0.44 0.11 0.00 0.13 0.00 0.00 42.46 41.96 1hbv s ILE 64 CO 0.36 -0.04 0.27 -0.70 -1.91 0.00 0.00 174.94 172.92 1hbv s GLU 65 N -0.07 2.33 -0.50 3.50 2.12 -0.39 -1.14 118.70 124.56 1hbv s GLU 65 Ca -0.02 -1.72 -0.22 0.00 0.36 0.00 0.00 54.97 53.37 1hbv s GLU 65 Cb -0.03 -3.76 0.04 0.00 0.26 0.00 0.00 34.13 30.64 1hbv s GLU 65 CO 0.01 -1.10 0.77 0.42 -0.54 0.00 0.00 175.26 174.82 1hbv s ILE 66 N 1.29 4.65 -1.28 -3.70 1.01 0.20 -1.34 121.20 122.03 1hbv s ILE 66 Ca 0.06 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 1hbv s ILE 66 Cb -0.24 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.86 1hbv s ILE 66 CO -0.02 -0.86 0.57 0.00 0.00 0.00 0.00 174.94 174.64 1hbv n GLY 68 N -1.99 2.91 3.82 0.00 0.00 -1.26 -4.99 105.19 103.68 1hbv n GLY 68 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1hbv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hbv s HIS 69 N -0.87 3.75 0.00 1.61 4.02 -0.91 -5.05 115.29 117.84 1hbv s HIS 69 Ca 0.00 1.25 -0.01 0.00 1.02 0.00 0.00 55.06 57.32 1hbv s HIS 69 Cb 0.00 -2.49 -0.04 0.00 -1.02 0.00 0.00 32.58 29.03 1hbv s HIS 69 CO 0.00 0.52 0.12 0.15 1.02 0.00 0.00 174.74 176.56 1hbv s LYS 70 N -1.40 3.20 0.06 1.40 1.02 -1.26 -0.63 119.74 122.12 1hbv s LYS 70 Ca 0.33 -0.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1hbv s LYS 70 Cb -0.18 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1hbv s LYS 70 CO 0.20 0.65 0.25 0.00 -0.92 0.00 0.00 175.35 175.52 1hbv s ALA 71 N -1.27 -0.49 -0.06 5.17 0.00 -0.29 -4.88 121.76 119.95 1hbv s ALA 71 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1hbv s ALA 71 Cb -0.12 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1hbv s ALA 71 CO 0.17 -0.43 -0.03 -1.50 0.00 0.00 0.00 175.76 173.97 1hbv s ILE 72 N -2.88 0.50 0.02 0.00 2.07 -1.26 -1.04 121.20 118.60 1hbv s ILE 72 Ca -0.03 -0.05 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1hbv s ILE 72 Cb 0.00 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 42.03 1hbv s ILE 72 CO -0.06 0.24 0.18 0.61 -1.91 0.00 0.00 174.94 174.01 1hbv n GLY 73 N 4.46 1.00 3.76 1.50 0.00 -1.02 -4.92 105.19 109.97 1hbv n GLY 73 Ca -0.18 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1hbv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hbv s THR 74 N -2.38 4.62 -0.05 2.61 2.01 -1.26 -0.19 115.64 121.00 1hbv s THR 74 Ca 0.04 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.68 1hbv s THR 74 Cb -0.00 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 1hbv s THR 74 CO 0.01 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 1hbv s VAL 75 N -0.53 1.39 -0.21 3.82 1.01 -0.01 -4.52 120.40 121.35 1hbv s VAL 75 Ca 0.36 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1hbv s VAL 75 Cb -0.21 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1hbv s VAL 75 CO 0.23 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 175.01 1hbv s LEU 76 N 0.11 3.42 -0.10 3.92 1.43 -0.61 -1.54 118.68 125.31 1hbv s LEU 76 Ca -0.05 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1hbv s LEU 76 Cb -0.12 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1hbv s LEU 76 CO 0.02 0.05 -0.07 -0.69 0.23 0.00 0.00 176.35 175.90 1hbv s VAL 77 N 1.07 3.65 0.00 -1.59 1.01 -0.63 -0.03 120.40 123.88 1hbv s VAL 77 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1hbv s VAL 77 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1hbv s VAL 77 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1hbv n GLY 78 N 2.73 0.70 2.77 4.51 0.00 0.23 -1.67 105.19 114.46 1hbv n GLY 78 Ca -0.18 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1hbv n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hbv n PRO 79 N 0.00 2.00 -4.31 1.61 -0.02 -1.26 -1.85 135.00 131.16 1hbv n PRO 79 Ca 0.00 -1.69 -0.35 0.00 -2.02 0.00 0.00 63.50 59.45 1hbv n PRO 79 Cb 0.00 -2.67 -0.09 0.00 -0.02 0.00 0.00 33.50 30.72 1hbv n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1hbv s THR 80 N 3.89 4.40 0.32 3.45 -1.32 -1.26 -5.00 115.64 120.12 1hbv s THR 80 Ca 0.47 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1hbv s THR 80 Cb 0.12 -2.88 0.27 0.00 -1.51 0.00 0.00 72.50 68.50 1hbv s THR 80 CO 0.01 0.56 1.97 1.55 -2.21 0.00 0.00 174.62 176.50 1hbv h PRO 81 N 4.95 0.97 -5.14 7.08 0.13 -1.97 -3.41 132.00 134.61 1hbv h PRO 81 Ca -0.51 -0.06 -0.36 0.00 -0.87 0.00 0.00 66.00 64.20 1hbv h PRO 81 Cb 1.19 -0.22 -0.19 0.00 0.13 0.00 0.00 31.00 31.92 1hbv h PRO 81 CO 0.55 0.64 -0.75 0.08 -0.23 0.00 0.00 178.00 178.30 1hbv s VAL 82 N -5.85 1.07 -0.15 1.56 1.01 -1.26 -5.06 120.40 111.72 1hbv s VAL 82 Ca -0.11 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.06 1hbv s VAL 82 Cb 0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1hbv s VAL 82 CO 0.78 -0.45 0.70 0.20 0.00 0.00 0.00 175.10 176.33 1hbv s ASN 83 N -2.30 6.85 -0.26 3.32 0.01 -1.26 -4.64 114.94 116.66 1hbv s ASN 83 Ca 0.05 1.03 -0.10 0.00 -0.71 0.00 0.00 52.86 53.13 1hbv s ASN 83 Cb -0.05 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1hbv s ASN 83 CO 0.01 -0.26 0.15 -0.63 -1.51 0.00 0.00 177.10 174.86 1hbv s ILE 84 N 1.63 5.00 -0.36 0.60 -1.09 0.07 -0.68 121.20 126.37 1hbv s ILE 84 Ca 0.34 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.70 1hbv s ILE 84 Cb -0.17 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1hbv s ILE 84 CO 0.13 0.29 0.22 -0.63 -1.23 0.00 0.00 174.94 173.72 1hbv s ILE 85 N 1.62 4.83 0.30 2.92 -1.09 -0.40 -1.69 121.20 127.69 1hbv s ILE 85 Ca 0.07 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.92 1hbv s ILE 85 Cb -0.15 -3.61 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1hbv s ILE 85 CO 0.08 -0.14 0.36 0.61 -1.23 0.00 0.00 174.94 174.62 1hbv n GLY 86 N 5.04 2.18 0.27 6.18 0.00 -1.21 -0.83 105.19 116.83 1hbv n GLY 86 Ca -0.12 -2.19 0.18 0.00 0.00 0.00 0.00 46.02 43.88 1hbv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hbv h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.58 -2.39 114.38 116.10 1hbv h ARG 87 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1hbv h ARG 87 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1hbv h ARG 87 CO 0.22 0.00 -0.12 -2.95 -1.07 0.00 0.00 179.97 176.05 1hbv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.68 -3.07 115.58 116.81 1hbv h ASN 88 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 1hbv h ASN 88 Cb 0.16 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.37 1hbv h ASN 88 CO 0.00 0.12 -1.76 0.18 0.07 0.00 0.00 177.43 176.04 1hbv n LEU 89 N -3.32 0.00 0.15 6.14 4.77 -0.94 -4.42 117.00 119.39 1hbv n LEU 89 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1hbv n LEU 89 Cb 0.33 0.27 0.42 0.00 -2.33 0.00 0.00 43.42 42.11 1hbv n LEU 89 CO 0.30 0.27 0.89 -0.07 -1.33 0.00 0.00 177.39 177.44 1hbv h LEU 90 N 0.00 0.15 -1.27 2.23 3.38 -1.49 0.58 115.31 118.88 1hbv h LEU 90 Ca -0.29 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1hbv h LEU 90 Cb 1.66 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1hbv h LEU 90 CO 0.02 0.32 -0.36 0.71 0.09 0.00 0.00 178.44 179.21 1hbv h THR 91 N 0.15 1.26 0.00 0.22 1.35 -1.77 -0.98 112.91 113.14 1hbv h THR 91 Ca 0.03 -1.25 -0.18 0.00 -0.55 0.00 0.00 66.41 64.47 1hbv h THR 91 Cb 0.37 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1hbv h THR 91 CO 0.02 0.36 -0.82 1.56 -0.25 0.00 0.00 175.52 176.39 1hbv h GLN 92 N 0.00 0.04 -0.54 4.72 4.20 -1.10 -2.90 115.11 119.52 1hbv h GLN 92 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1hbv h GLN 92 Cb 0.65 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1hbv h GLN 92 CO 0.05 0.84 0.00 0.44 -0.67 0.00 0.00 178.83 179.49 1hbv n ILE 93 N -3.59 0.87 -1.30 2.54 -5.35 -1.00 -4.94 119.36 106.60 1hbv n ILE 93 Ca -0.01 -0.72 -0.08 0.00 -0.27 0.00 0.00 62.75 61.67 1hbv n ILE 93 Cb 0.78 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 1hbv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hbv n GLY 94 N 1.17 0.90 3.74 3.28 0.00 -1.10 -5.01 105.19 108.17 1hbv n GLY 94 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1hbv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbv s THR 96 N -0.21 1.66 -0.04 0.00 -4.23 -1.26 -4.71 115.64 106.85 1hbv s THR 96 Ca 0.54 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1hbv s THR 96 Cb -0.36 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1hbv s THR 96 CO 0.40 -0.37 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.77 1hbv s LEU 97 N -3.41 2.84 -0.11 4.79 2.96 -1.26 -5.10 118.68 119.39 1hbv s LEU 97 Ca 0.28 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1hbv s LEU 97 Cb 0.03 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1hbv s LEU 97 CO 0.11 0.34 0.29 0.20 -1.32 0.00 0.00 176.35 175.97 1hbv s ASN 98 N -0.87 -0.32 0.00 3.68 0.01 -1.26 -5.29 114.94 110.90 1hbv s ASN 98 Ca 0.12 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.88 1hbv s ASN 98 Cb -0.11 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1hbv s ASN 98 CO 0.02 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.70