#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvj s GLN 2 N 0.00 3.64 -0.19 0.54 0.74 -1.26 -5.09 119.66 118.05 1hvj s GLN 2 Ca 0.00 -0.49 -0.05 0.00 0.05 0.00 0.00 55.36 54.87 1hvj s GLN 2 Cb 0.00 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1hvj s GLN 2 CO 0.00 -0.19 0.01 0.42 -0.55 0.00 0.00 175.29 174.97 1hvj s ILE 3 N 1.61 4.14 0.53 -2.34 1.01 -1.26 -5.10 121.20 119.79 1hvj s ILE 3 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1hvj s ILE 3 Cb -0.15 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.48 1hvj s ILE 3 CO 0.03 0.45 0.76 0.42 0.00 0.00 0.00 174.94 176.60 1hvj s THR 4 N 0.71 3.13 -0.35 2.92 -4.23 -1.26 -5.02 115.64 111.55 1hvj s THR 4 Ca 0.00 -0.56 0.15 0.00 -1.18 0.00 0.00 61.69 60.11 1hvj s THR 4 Cb -0.14 -3.18 0.48 0.00 1.34 0.00 0.00 72.50 71.00 1hvj s THR 4 CO 0.02 -0.13 1.39 0.18 -0.54 0.00 0.00 174.62 175.53 1hvj n LEU 5 N -2.30 3.68 -0.30 4.79 4.77 -1.26 -4.51 117.00 121.87 1hvj n LEU 5 Ca 0.06 -2.78 0.01 0.00 -0.03 0.00 0.00 56.01 53.26 1hvj n LEU 5 Cb 0.59 -0.47 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 1hvj n LEU 5 CO 0.47 0.69 1.26 -0.50 -1.33 0.00 0.00 177.39 177.98 1hvj h TRP 6 N 1.86 1.09 -1.53 -1.77 4.06 -2.06 -3.43 115.95 114.17 1hvj h TRP 6 Ca 0.00 0.03 -0.59 0.00 2.06 0.00 0.00 58.89 60.39 1hvj h TRP 6 Cb 1.28 -0.37 -0.10 0.00 -1.00 0.00 0.00 29.16 28.98 1hvj h TRP 6 CO 0.44 0.65 -0.52 -0.65 -3.56 0.00 0.00 178.44 174.80 1hvj s GLN 7 N -5.96 2.14 0.24 0.49 -0.21 -1.26 -5.09 119.66 110.01 1hvj s GLN 7 Ca -0.12 -1.96 -0.31 0.00 0.02 0.00 0.00 55.36 53.00 1hvj s GLN 7 Cb 0.18 -1.86 -0.11 0.00 1.00 0.00 0.00 33.01 32.22 1hvj s GLN 7 CO 0.80 -0.12 1.61 1.03 -2.12 0.00 0.00 175.29 176.49 1hvj s ARG 8 N -3.85 4.16 -1.05 2.91 0.52 -1.26 -4.83 118.95 115.55 1hvj s ARG 8 Ca 0.38 2.51 -0.21 0.00 -0.52 0.00 0.00 55.73 57.89 1hvj s ARG 8 Cb 0.06 -3.07 -0.09 0.00 0.52 0.00 0.00 34.95 32.36 1hvj s ARG 8 CO 0.20 -0.64 1.94 -0.35 0.02 0.00 0.00 175.30 176.47 1hvj n PRO 9 N 3.09 1.86 -3.00 3.54 -0.04 -1.26 -4.90 135.00 134.29 1hvj n PRO 9 Ca 0.11 -2.31 -0.41 0.00 -0.04 0.00 0.00 63.50 60.86 1hvj n PRO 9 Cb 0.37 -3.32 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 1hvj n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvj s LEU 10 N 5.24 4.19 0.36 1.53 1.43 -1.26 -1.17 118.68 129.00 1hvj s LEU 10 Ca 0.60 1.07 0.07 0.00 -1.03 0.00 0.00 54.13 54.84 1hvj s LEU 10 Cb 0.08 -3.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.13 1hvj s LEU 10 CO 0.10 -0.30 -0.01 0.68 0.23 0.00 0.00 176.35 177.05 1hvj s VAL 11 N 1.80 1.86 -0.05 -1.59 -7.23 0.00 -4.92 120.40 110.27 1hvj s VAL 11 Ca 0.35 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 1hvj s VAL 11 Cb -0.17 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1hvj s VAL 11 CO 0.13 -0.08 0.93 -0.89 -0.31 0.00 0.00 175.10 174.87 1hvj s THR 12 N -2.84 4.88 0.17 5.32 2.01 -1.26 -0.84 115.64 123.08 1hvj s THR 12 Ca 0.34 1.92 0.08 0.00 0.31 0.00 0.00 61.69 64.33 1hvj s THR 12 Cb 0.07 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1hvj s THR 12 CO 0.16 0.12 -0.05 0.27 -0.69 0.00 0.00 174.62 174.44 1hvj s ILE 13 N 1.33 3.47 -0.20 1.82 -4.36 0.80 -2.98 121.20 121.09 1hvj s ILE 13 Ca 0.47 -1.51 -0.04 0.00 -0.26 0.00 0.00 60.65 59.31 1hvj s ILE 13 Cb -0.19 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1hvj s ILE 13 CO 0.22 -0.09 -0.02 -0.54 0.24 0.00 0.00 174.94 174.75 1hvj s LYS 14 N -2.84 3.53 -0.19 0.37 3.01 0.23 -0.17 119.74 123.67 1hvj s LYS 14 Ca 0.26 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 1hvj s LYS 14 Cb -0.09 -3.02 0.04 0.00 -1.01 0.00 0.00 37.83 33.75 1hvj s LYS 14 CO 0.17 -0.03 -0.09 -1.50 0.51 0.00 0.00 175.35 174.41 1hvj s ILE 15 N 1.08 1.49 -0.95 2.17 2.07 0.96 -1.41 121.20 126.60 1hvj s ILE 15 Ca 0.02 -0.91 -0.04 0.00 -1.41 0.00 0.00 60.65 58.30 1hvj s ILE 15 Cb -0.15 -1.60 0.00 0.00 0.13 0.00 0.00 42.46 40.85 1hvj s ILE 15 CO 0.01 0.14 0.82 0.61 -1.91 0.00 0.00 174.94 174.61 1hvj n GLY 16 N 4.74 -0.15 4.17 1.50 0.00 -1.26 -2.30 105.19 111.89 1hvj n GLY 16 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1hvj n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvj n GLY 17 N -1.43 1.84 3.69 -0.02 0.00 -1.26 -4.96 105.19 103.05 1hvj n GLY 17 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1hvj n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvj s GLN 18 N 0.00 4.21 0.29 1.61 -0.21 -0.97 -5.03 119.66 119.56 1hvj s GLN 18 Ca 0.00 2.25 -0.28 0.00 0.02 0.00 0.00 55.36 57.34 1hvj s GLN 18 Cb 0.00 -3.60 -0.09 0.00 1.00 0.00 0.00 33.01 30.31 1hvj s GLN 18 CO 0.00 -0.70 1.01 -0.51 -2.12 0.00 0.00 175.29 172.97 1hvj s LEU 19 N 2.63 4.50 0.17 2.90 1.02 -1.26 -0.03 118.68 128.61 1hvj s LEU 19 Ca 0.72 2.06 -0.03 0.00 0.02 0.00 0.00 54.13 56.89 1hvj s LEU 19 Cb -0.38 -3.76 -0.03 0.00 0.02 0.00 0.00 46.19 42.04 1hvj s LEU 19 CO 0.31 -0.07 0.15 -0.54 0.02 0.00 0.00 176.35 176.22 1hvj s LYS 20 N -1.59 1.11 0.04 1.70 1.02 0.76 -4.93 119.74 117.84 1hvj s LYS 20 Ca 0.46 -1.45 0.01 0.00 0.02 0.00 0.00 55.97 55.01 1hvj s LYS 20 Cb -0.26 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 1hvj s LYS 20 CO 0.33 -0.36 0.11 -1.83 -0.92 0.00 0.00 175.35 172.68 1hvj s GLU 21 N -4.07 3.10 -0.01 1.68 -1.05 -1.26 -0.14 118.70 116.95 1hvj s GLU 21 Ca 0.28 -0.54 -0.04 0.00 -0.15 0.00 0.00 54.97 54.53 1hvj s GLU 21 Cb 0.06 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1hvj s GLU 21 CO 0.06 0.61 0.08 0.00 0.95 0.00 0.00 175.26 176.97 1hvj s ALA 22 N -1.33 -0.20 -0.18 -0.84 0.00 -0.02 -4.30 121.76 114.88 1hvj s ALA 22 Ca 0.28 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 1hvj s ALA 22 Cb -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1hvj s ALA 22 CO 0.20 -0.12 0.90 -1.17 0.00 0.00 0.00 175.76 175.56 1hvj s LEU 23 N -0.72 4.16 -0.27 0.00 2.96 0.12 -0.82 118.68 124.11 1hvj s LEU 23 Ca -0.08 1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 54.79 1hvj s LEU 23 Cb -0.05 -3.34 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1hvj s LEU 23 CO 0.00 -0.47 1.06 -0.76 -1.32 0.00 0.00 176.35 174.86 1hvj s LEU 24 N 2.41 4.02 -0.38 -0.68 1.43 -0.32 -0.28 118.68 124.88 1hvj s LEU 24 Ca 0.40 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1hvj s LEU 24 Cb -0.16 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.63 1hvj s LEU 24 CO 0.11 -0.78 0.16 -0.62 0.23 0.00 0.00 176.35 175.45 1hvj s ASP 25 N 1.45 4.06 0.24 2.29 -1.08 0.35 -4.79 116.67 119.18 1hvj s ASP 25 Ca 0.45 -2.24 0.21 0.00 -0.52 0.00 0.00 52.55 50.45 1hvj s ASP 25 Cb -0.14 -1.15 0.95 0.00 -1.46 0.00 0.00 42.92 41.12 1hvj s ASP 25 CO 0.11 -0.34 1.64 0.35 0.52 0.00 0.00 175.17 177.46 1hvj n THR 26 N 4.08 0.95 1.35 1.71 -2.24 -1.26 -2.16 114.28 116.71 1hvj n THR 26 Ca 0.04 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.31 1hvj n THR 26 Cb 0.38 -1.29 0.41 0.00 -2.10 0.00 0.00 70.33 67.73 1hvj n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hvj n GLY 27 N -0.37 0.01 3.70 3.38 0.00 -1.26 -4.85 105.19 105.80 1hvj n GLY 27 Ca 0.01 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1hvj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvj s ALA 28 N -2.13 3.64 0.13 4.61 0.00 -0.92 -4.98 121.76 122.12 1hvj s ALA 28 Ca 0.33 -0.76 0.20 0.00 0.00 0.00 0.00 51.96 51.73 1hvj s ALA 28 Cb 0.20 -2.27 0.71 0.00 0.00 0.00 0.00 23.12 21.76 1hvj s ALA 28 CO 0.38 -0.02 1.74 -0.44 0.00 0.00 0.00 175.76 177.42 1hvj h ASP 29 N 7.09 0.00 -2.47 0.00 3.32 -1.88 -0.98 116.42 121.50 1hvj h ASP 29 Ca -0.39 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.05 1hvj h ASP 29 Cb 1.16 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1hvj h ASP 29 CO 0.71 0.34 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.02 1hvj s ASP 30 N -6.37 3.90 -0.13 6.45 1.01 -1.26 -3.14 116.67 117.14 1hvj s ASP 30 Ca 0.01 -0.84 -0.13 0.00 0.71 0.00 0.00 52.55 52.29 1hvj s ASP 30 Cb 0.10 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.50 1hvj s ASP 30 CO 0.68 0.05 0.30 -0.89 0.21 0.00 0.00 175.17 175.52 1hvj s THR 31 N -2.22 5.28 -0.09 -1.27 2.01 -1.26 -3.22 115.64 114.85 1hvj s THR 31 Ca 0.28 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1hvj s THR 31 Cb -0.06 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1hvj s THR 31 CO 0.15 0.44 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 1hvj s VAL 32 N 0.05 0.92 0.17 3.82 1.01 -0.36 -1.30 120.40 124.70 1hvj s VAL 32 Ca 0.18 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1hvj s VAL 32 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1hvj s VAL 32 CO 0.06 0.34 -0.12 -0.76 0.00 0.00 0.00 175.10 174.62 1hvj s LEU 33 N 1.50 2.89 0.79 3.92 1.43 0.94 -0.47 118.68 129.68 1hvj s LEU 33 Ca 0.00 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1hvj s LEU 33 Cb -0.13 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1hvj s LEU 33 CO -0.05 0.12 0.84 -1.84 0.23 0.00 0.00 176.35 175.65 1hvj n GLU 34 N 0.21 0.22 -1.72 1.70 0.28 -1.26 -1.91 120.64 118.15 1hvj n GLU 34 Ca -0.12 0.13 -0.59 0.00 -0.16 0.00 0.00 57.16 56.42 1hvj n GLU 34 Cb 0.55 -2.13 -0.08 0.00 1.43 0.00 0.00 31.44 31.21 1hvj n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvj n GLU 35 N -2.00 0.98 -3.75 3.44 4.07 -0.92 -4.50 120.64 117.96 1hvj n GLU 35 Ca 0.11 0.36 -0.10 0.00 -0.06 0.00 0.00 57.16 57.47 1hvj n GLU 35 Cb 0.50 -2.02 -0.06 0.00 -0.06 0.00 0.00 31.44 29.81 1hvj n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hvj s MET 36 N 3.53 0.93 -0.77 5.31 0.23 -1.26 -5.04 119.30 122.23 1hvj s MET 36 Ca 1.00 -0.79 -0.12 0.00 -1.03 0.00 0.00 55.69 54.75 1hvj s MET 36 Cb -1.14 0.40 0.20 0.00 -1.53 0.00 0.00 34.83 32.76 1hvj s MET 36 CO 0.68 -0.33 0.68 -1.54 -2.03 0.00 0.00 175.02 172.49 1hvj s SER 37 N -2.73 6.41 0.45 -1.18 1.04 -1.26 -5.03 113.70 111.40 1hvj s SER 37 Ca 0.03 -2.68 -0.21 0.00 0.48 0.00 0.00 55.95 53.56 1hvj s SER 37 Cb 0.03 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 1hvj s SER 37 CO -0.10 -0.54 1.00 -0.76 0.98 0.00 0.00 173.24 173.81 1hvj s LEU 38 N 0.18 3.94 0.66 2.42 1.43 -1.26 -5.06 118.68 121.00 1hvj s LEU 38 Ca 0.17 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 1hvj s LEU 38 Cb -0.13 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.60 1hvj s LEU 38 CO -0.07 -0.55 1.07 -2.16 0.23 0.00 0.00 176.35 174.87 1hvj s PRO 39 N -3.07 3.00 0.00 1.29 0.04 -1.26 -4.95 135.00 130.04 1hvj s PRO 39 Ca 0.63 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1hvj s PRO 39 Cb -0.14 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1hvj s PRO 39 CO 0.18 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1hvj n GLY 40 N -1.35 -0.20 3.72 0.56 0.00 -1.26 -5.02 105.19 101.64 1hvj n GLY 40 Ca 0.08 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1hvj n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvj s ARG 41 N -0.86 4.14 0.15 1.61 3.00 -1.26 -5.09 118.95 120.65 1hvj s ARG 41 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 55.73 55.58 1hvj s ARG 41 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 1hvj s ARG 41 CO 0.00 0.30 -0.15 1.67 0.00 0.00 0.00 175.30 177.12 1hvj s TRP 42 N 0.34 2.55 -0.01 -0.53 1.48 -1.26 -4.51 118.94 117.00 1hvj s TRP 42 Ca 0.07 -0.26 -0.01 0.00 -1.06 0.00 0.00 56.10 54.85 1hvj s TRP 42 Cb -0.11 -1.30 -0.04 0.00 -1.16 0.00 0.00 33.47 30.86 1hvj s TRP 42 CO -0.02 0.46 0.11 0.15 -4.06 0.00 0.00 176.95 173.59 1hvj s LYS 43 N -2.49 3.17 0.33 3.25 1.02 -0.11 -4.85 119.74 120.06 1hvj s LYS 43 Ca 0.21 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1hvj s LYS 43 Cb -0.09 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.18 1hvj s LYS 43 CO 0.12 0.66 1.29 -1.25 -0.92 0.00 0.00 175.35 175.25 1hvj s PRO 44 N -1.77 4.38 0.06 -1.68 0.04 -1.26 0.31 135.00 135.08 1hvj s PRO 44 Ca 0.24 2.18 -0.13 0.00 0.04 0.00 0.00 61.00 63.33 1hvj s PRO 44 Cb -0.12 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1hvj s PRO 44 CO 0.15 -0.15 0.29 0.21 0.04 0.00 0.00 177.00 177.53 1hvj s LYS 45 N -1.77 0.84 -0.12 4.56 2.20 0.37 -4.85 119.74 120.97 1hvj s LYS 45 Ca 0.48 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1hvj s LYS 45 Cb -0.39 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1hvj s LYS 45 CO 0.52 -0.28 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.39 1hvj s MET 46 N -2.95 3.11 0.10 4.03 -1.94 -1.26 -0.08 119.30 120.31 1hvj s MET 46 Ca -0.02 -0.83 0.09 0.00 -1.71 0.00 0.00 55.69 53.22 1hvj s MET 46 Cb 0.01 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1hvj s MET 46 CO -0.06 0.10 -0.18 0.96 -0.01 0.00 0.00 175.02 175.83 1hvj s ILE 47 N 0.56 2.83 0.28 2.53 -5.25 -0.09 -4.94 121.20 117.13 1hvj s ILE 47 Ca -0.12 -1.45 0.09 0.00 -0.99 0.00 0.00 60.65 58.18 1hvj s ILE 47 Cb -0.17 -2.28 -0.04 0.00 2.95 0.00 0.00 42.46 42.92 1hvj s ILE 47 CO 0.04 0.14 0.03 -0.83 -1.79 0.00 0.00 174.94 172.53 1hvj s GLY 48 N -2.03 1.73 0.00 6.27 0.00 -1.26 -0.30 107.32 111.73 1hvj s GLY 48 Ca 0.17 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1hvj s GLY 48 CO 0.09 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1hvj n GLY 49 N -0.96 3.85 0.27 0.20 0.00 0.58 -4.98 105.19 104.14 1hvj n GLY 49 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1hvj n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hvj h ILE 50 N 0.00 0.35 -0.71 -0.61 1.08 -2.04 -2.80 117.51 112.79 1hvj h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1hvj h ILE 50 Cb 0.00 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1hvj h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1hvj n GLY 51 N -1.40 2.42 0.00 5.37 0.00 -1.26 -5.05 105.19 105.27 1hvj n GLY 51 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1hvj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvj n GLY 52 N 1.55 0.65 3.51 -0.02 0.00 -1.06 -5.10 105.19 104.72 1hvj n GLY 52 Ca 0.24 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1hvj n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvj s PHE 53 N -1.48 2.65 0.26 1.61 0.40 -1.26 -0.31 117.98 119.85 1hvj s PHE 53 Ca 0.00 -0.20 0.11 0.00 -0.60 0.00 0.00 56.93 56.24 1hvj s PHE 53 Cb 0.00 -1.47 -0.05 0.00 0.51 0.00 0.00 43.02 42.01 1hvj s PHE 53 CO 0.00 0.32 -0.19 0.96 0.70 0.00 0.00 175.22 177.01 1hvj s ILE 54 N -1.02 2.33 -0.11 0.64 -4.36 0.59 -4.97 121.20 114.31 1hvj s ILE 54 Ca 0.17 -2.35 -0.20 0.00 -0.26 0.00 0.00 60.65 58.00 1hvj s ILE 54 Cb -0.11 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1hvj s ILE 54 CO 0.08 -0.43 0.58 -0.54 0.24 0.00 0.00 174.94 174.87 1hvj s LYS 55 N -3.50 4.36 0.14 0.37 1.02 -1.26 -0.91 119.74 119.95 1hvj s LYS 55 Ca 0.28 0.63 0.02 0.00 0.02 0.00 0.00 55.97 56.92 1hvj s LYS 55 Cb -0.04 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1hvj s LYS 55 CO 0.13 0.07 -0.04 0.14 -0.92 0.00 0.00 175.35 174.73 1hvj s VAL 56 N 0.87 0.75 -0.21 3.17 -7.23 0.89 -4.50 120.40 114.14 1hvj s VAL 56 Ca 0.31 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 1hvj s VAL 56 Cb -0.16 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1hvj s VAL 56 CO 0.13 -0.68 0.10 -0.13 -0.31 0.00 0.00 175.10 174.21 1hvj s ARG 57 N -3.86 4.03 -0.29 4.82 0.52 0.60 -0.48 118.95 124.30 1hvj s ARG 57 Ca 0.18 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.92 1hvj s ARG 57 Cb 0.05 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1hvj s ARG 57 CO -0.00 0.19 0.43 -1.14 0.02 0.00 0.00 175.30 174.81 1hvj s GLN 58 N 0.63 3.94 -0.12 3.54 0.74 0.15 -0.19 119.66 128.35 1hvj s GLN 58 Ca 0.06 0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 1hvj s GLN 58 Cb -0.13 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 1hvj s GLN 58 CO 0.01 -0.37 0.03 0.71 -0.55 0.00 0.00 175.29 175.12 1hvj s TYR 59 N 2.19 3.24 0.24 1.67 1.51 0.14 -0.93 117.35 125.41 1hvj s TYR 59 Ca 0.17 0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.49 1hvj s TYR 59 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1hvj s TYR 59 CO 0.10 0.41 0.11 -0.51 -1.11 0.00 0.00 175.55 174.55 1hvj s ASP 60 N -0.54 5.16 -1.87 2.29 1.11 -1.26 -0.10 116.67 121.46 1hvj s ASP 60 Ca 0.10 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.46 1hvj s ASP 60 Cb -0.12 -1.21 0.00 0.00 1.07 0.00 0.00 42.92 42.66 1hvj s ASP 60 CO 0.02 -0.00 0.00 0.00 1.18 0.00 0.00 175.17 176.37 1hvj n GLN 61 N -0.91 -1.63 -2.66 8.23 1.13 -1.00 -4.89 117.38 115.65 1hvj n GLN 61 Ca -0.08 1.05 -0.42 0.00 -1.94 0.00 0.00 57.00 55.62 1hvj n GLN 61 Cb 0.58 -5.62 -0.03 0.00 0.11 0.00 0.00 30.24 25.28 1hvj n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvj s ILE 62 N -2.91 4.73 -0.18 5.09 -1.09 0.84 -4.60 121.20 123.09 1hvj s ILE 62 Ca 0.00 1.97 -0.24 0.00 -2.23 0.00 0.00 60.65 60.14 1hvj s ILE 62 Cb 0.00 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1hvj s ILE 62 CO 0.00 0.13 0.79 -0.22 -1.23 0.00 0.00 174.94 174.41 1hvj s LEU 63 N 1.15 4.16 0.09 2.97 1.98 -1.26 -0.39 118.68 127.39 1hvj s LEU 63 Ca 0.53 1.09 0.10 0.00 -2.89 0.00 0.00 54.13 52.96 1hvj s LEU 63 Cb -0.22 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 43.44 1hvj s LEU 63 CO 0.27 -0.38 -0.26 -0.63 -1.89 0.00 0.00 176.35 173.47 1hvj s ILE 64 N 2.13 2.11 -0.20 6.68 1.01 0.40 -4.62 121.20 128.71 1hvj s ILE 64 Ca 0.36 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 1hvj s ILE 64 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1hvj s ILE 64 CO 0.12 0.19 -0.04 -0.70 0.00 0.00 0.00 174.94 174.51 1hvj s GLU 65 N -1.66 3.46 -0.30 2.79 2.12 -0.50 -1.02 118.70 123.58 1hvj s GLU 65 Ca 0.12 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 1hvj s GLU 65 Cb -0.10 -2.98 0.03 0.00 0.26 0.00 0.00 34.13 31.34 1hvj s GLU 65 CO 0.04 -0.08 0.04 0.42 -0.54 0.00 0.00 175.26 175.15 1hvj s ILE 66 N 1.17 3.44 -1.24 -3.70 1.01 0.11 -0.60 121.20 121.40 1hvj s ILE 66 Ca 0.02 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 1hvj s ILE 66 Cb -0.14 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1hvj s ILE 66 CO -0.01 -0.05 0.64 0.00 0.00 0.00 0.00 174.94 175.53 1hvj n GLY 68 N -2.06 0.67 3.51 0.00 0.00 -1.26 -4.97 105.19 101.08 1hvj n GLY 68 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1hvj n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvj s HIS 69 N -2.60 3.18 0.26 1.61 4.02 0.30 -5.08 115.29 116.98 1hvj s HIS 69 Ca 0.00 -0.22 -0.29 0.00 1.02 0.00 0.00 55.06 55.57 1hvj s HIS 69 Cb 0.00 -2.35 -0.09 0.00 -1.02 0.00 0.00 32.58 29.12 1hvj s HIS 69 CO 0.00 -0.30 0.97 0.15 1.02 0.00 0.00 174.74 176.58 1hvj s LYS 70 N 1.69 4.77 0.03 1.40 1.02 -1.26 0.09 119.74 127.47 1hvj s LYS 70 Ca 0.06 1.52 0.01 0.00 0.02 0.00 0.00 55.97 57.59 1hvj s LYS 70 Cb -0.16 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1hvj s LYS 70 CO 0.08 0.42 -0.05 0.00 -0.92 0.00 0.00 175.35 174.88 1hvj s ALA 71 N -1.24 0.35 -0.06 5.17 0.00 -0.19 -4.70 121.76 121.08 1hvj s ALA 71 Ca 0.43 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1hvj s ALA 71 Cb -0.26 0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1hvj s ALA 71 CO 0.32 -0.07 -0.09 0.42 0.00 0.00 0.00 175.76 176.34 1hvj s ILE 72 N -1.29 0.91 -0.12 0.00 1.01 -1.26 -0.45 121.20 120.00 1hvj s ILE 72 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1hvj s ILE 72 Cb -0.09 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1hvj s ILE 72 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1hvj n GLY 73 N 4.01 -0.63 3.76 6.18 0.00 0.48 -4.88 105.19 114.11 1hvj n GLY 73 Ca -0.22 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1hvj n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvj s THR 74 N -3.00 4.42 -0.04 2.61 2.01 -1.26 -0.11 115.64 120.26 1hvj s THR 74 Ca 0.00 1.79 0.03 0.00 0.31 0.00 0.00 61.69 63.82 1hvj s THR 74 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1hvj s THR 74 CO 0.00 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 1hvj s VAL 75 N -0.77 1.02 -0.16 3.82 1.01 0.86 -4.38 120.40 121.80 1hvj s VAL 75 Ca 0.39 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1hvj s VAL 75 Cb -0.23 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1hvj s VAL 75 CO 0.27 0.31 0.09 -0.76 0.00 0.00 0.00 175.10 175.01 1hvj s LEU 76 N 0.26 4.03 -0.13 3.92 1.43 -0.42 -0.68 118.68 127.08 1hvj s LEU 76 Ca -0.06 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1hvj s LEU 76 Cb -0.11 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1hvj s LEU 76 CO 0.01 0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 176.05 1hvj s VAL 77 N -0.14 3.20 0.04 -1.59 1.01 0.73 -0.04 120.40 123.61 1hvj s VAL 77 Ca 0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1hvj s VAL 77 Cb -0.12 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1hvj s VAL 77 CO 0.01 0.52 0.34 0.61 0.00 0.00 0.00 175.10 176.58 1hvj n GLY 78 N 3.51 0.94 1.19 4.51 0.00 -0.81 -0.29 105.19 114.23 1hvj n GLY 78 Ca -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1hvj n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvj n PRO 79 N -0.24 0.57 -2.13 1.61 -0.04 -1.26 -2.16 135.00 131.34 1hvj n PRO 79 Ca -0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1hvj n PRO 79 Cb 0.18 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1hvj n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvj s THR 80 N 0.54 2.85 0.33 0.52 -1.32 -1.26 -4.95 115.64 112.35 1hvj s THR 80 Ca 0.00 0.79 0.01 0.00 -1.21 0.00 0.00 61.69 61.28 1hvj s THR 80 Cb 0.00 -3.50 0.24 0.00 -1.51 0.00 0.00 72.50 67.73 1hvj s THR 80 CO 0.00 0.16 1.97 -0.65 -2.21 0.00 0.00 174.62 173.89 1hvj h PRO 81 N 4.19 0.85 -6.02 7.08 0.11 -1.98 -3.42 132.00 132.82 1hvj h PRO 81 Ca -0.47 -0.08 -0.58 0.00 0.11 0.00 0.00 66.00 64.98 1hvj h PRO 81 Cb 1.22 -0.18 -0.27 0.00 0.11 0.00 0.00 31.00 31.88 1hvj h PRO 81 CO 0.71 0.61 -0.84 0.54 -0.21 0.00 0.00 178.00 178.80 1hvj s VAL 82 N -5.63 1.63 0.15 3.15 0.11 -1.26 -5.02 120.40 113.52 1hvj s VAL 82 Ca -0.10 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 57.59 1hvj s VAL 82 Cb 0.17 -1.39 -0.07 0.00 -1.53 0.00 0.00 36.38 33.56 1hvj s VAL 82 CO 0.77 0.30 1.21 0.20 -3.33 0.00 0.00 175.10 174.26 1hvj s ASN 83 N -0.88 7.07 -0.17 3.54 0.01 -1.26 -4.58 114.94 118.67 1hvj s ASN 83 Ca 0.07 2.18 0.01 0.00 -0.71 0.00 0.00 52.86 54.42 1hvj s ASN 83 Cb -0.08 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1hvj s ASN 83 CO 0.01 -0.41 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.37 1hvj s ILE 84 N 0.28 1.96 -0.32 0.60 1.01 0.38 0.12 121.20 125.22 1hvj s ILE 84 Ca 0.55 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1hvj s ILE 84 Cb -0.32 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1hvj s ILE 84 CO 0.34 0.52 0.34 -0.63 0.00 0.00 0.00 174.94 175.52 1hvj s ILE 85 N 1.26 5.19 0.59 2.92 -1.09 0.62 -1.22 121.20 129.47 1hvj s ILE 85 Ca 0.03 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 1hvj s ILE 85 Cb -0.13 -3.75 0.11 0.00 -1.58 0.00 0.00 42.46 37.10 1hvj s ILE 85 CO -0.11 0.01 0.82 0.61 -1.23 0.00 0.00 174.94 175.04 1hvj n GLY 86 N 4.90 1.51 0.33 6.18 0.00 -1.20 -0.50 105.19 116.42 1hvj n GLY 86 Ca -0.10 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.88 1hvj n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvj h ARG 87 N 0.00 0.30 -0.74 1.61 3.08 -1.29 -0.88 114.38 116.46 1hvj h ARG 87 Ca -0.27 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 59.94 1hvj h ARG 87 Cb 1.16 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1hvj h ARG 87 CO 0.35 0.20 0.51 -2.95 -1.07 0.00 0.00 179.97 177.01 1hvj h ASN 88 N 0.31 0.20 0.00 7.04 -1.07 -1.81 -1.35 115.58 118.90 1hvj h ASN 88 Ca 0.20 0.01 -0.38 0.00 0.07 0.00 0.00 56.30 56.20 1hvj h ASN 88 Cb 0.38 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 36.54 1hvj h ASN 88 CO -0.04 0.09 -2.43 0.18 0.07 0.00 0.00 177.43 175.30 1hvj n LEU 89 N -4.41 1.34 -0.35 6.14 4.77 -0.60 -4.38 117.00 119.51 1hvj n LEU 89 Ca 0.15 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1hvj n LEU 89 Cb 0.67 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.87 1hvj n LEU 89 CO 0.35 0.70 1.23 -0.07 -1.33 0.00 0.00 177.39 178.27 1hvj h LEU 90 N 0.00 0.91 -0.87 2.23 3.38 -1.05 -1.72 115.31 118.19 1hvj h LEU 90 Ca -0.56 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1hvj h LEU 90 Cb 2.09 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 1hvj h LEU 90 CO -0.02 0.48 0.49 0.71 0.09 0.00 0.00 178.44 180.19 1hvj h THR 91 N 0.97 1.25 -0.06 0.22 1.35 -1.48 -2.08 112.91 113.08 1hvj h THR 91 Ca 0.49 -0.59 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1hvj h THR 91 Cb 0.51 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1hvj h THR 91 CO -0.26 0.27 0.02 1.56 -0.25 0.00 0.00 175.52 176.86 1hvj h GLN 92 N 1.20 0.08 -0.32 4.72 4.20 -1.52 -1.54 115.11 121.93 1hvj h GLN 92 Ca 0.31 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1hvj h GLN 92 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1hvj h GLN 92 CO -0.05 0.08 0.00 0.44 -0.67 0.00 0.00 178.83 178.63 1hvj n ILE 93 N -4.50 0.43 -1.46 2.54 -5.35 -1.04 -4.92 119.36 105.06 1hvj n ILE 93 Ca -0.02 -0.47 -0.01 0.00 -0.27 0.00 0.00 62.75 61.98 1hvj n ILE 93 Cb 0.11 0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 38.31 1hvj n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvj n GLY 94 N 1.13 0.39 3.70 3.28 0.00 -0.58 -4.99 105.19 108.12 1hvj n GLY 94 Ca 0.14 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1hvj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvj s THR 96 N 1.46 2.48 -0.21 0.00 -4.23 -1.26 -4.73 115.64 109.14 1hvj s THR 96 Ca 0.45 -2.37 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 1hvj s THR 96 Cb -0.19 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1hvj s THR 96 CO 0.20 -0.37 0.13 -0.76 -0.54 0.00 0.00 174.62 173.28 1hvj s LEU 97 N -3.43 4.15 -0.06 4.79 1.43 -1.26 -5.09 118.68 119.22 1hvj s LEU 97 Ca 0.29 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1hvj s LEU 97 Cb -0.05 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1hvj s LEU 97 CO 0.15 0.14 -0.16 0.20 0.23 0.00 0.00 176.35 176.90 1hvj s ASN 98 N 0.58 2.16 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.54 1hvj s ASN 98 Ca 0.08 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1hvj s ASN 98 Cb -0.12 -0.82 0.00 0.00 -0.02 0.00 0.00 41.25 40.29 1hvj s ASN 98 CO 0.00 0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.86