#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvl s GLN 2 N 0.00 3.52 -0.18 0.54 0.74 -1.26 -5.10 119.66 117.92 1hvl s GLN 2 Ca 0.00 -0.56 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 1hvl s GLN 2 Cb 0.00 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1hvl s GLN 2 CO 0.00 -0.07 -0.03 0.42 -0.55 0.00 0.00 175.29 175.06 1hvl s ILE 3 N 1.18 3.79 0.54 -2.34 1.01 -1.26 -5.10 121.20 119.02 1hvl s ILE 3 Ca 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1hvl s ILE 3 Cb -0.15 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1hvl s ILE 3 CO 0.00 0.46 0.80 0.42 0.00 0.00 0.00 174.94 176.62 1hvl s THR 4 N 0.77 3.37 -0.20 2.92 -4.23 -1.26 -5.02 115.64 111.99 1hvl s THR 4 Ca -0.01 -0.38 0.15 0.00 -1.18 0.00 0.00 61.69 60.27 1hvl s THR 4 Cb -0.14 -3.29 0.48 0.00 1.34 0.00 0.00 72.50 70.88 1hvl s THR 4 CO 0.02 -0.24 1.37 0.18 -0.54 0.00 0.00 174.62 175.41 1hvl n LEU 5 N -2.38 3.61 -0.14 4.79 4.77 -1.26 -4.48 117.00 121.93 1hvl n LEU 5 Ca 0.05 -3.22 -0.03 0.00 -0.03 0.00 0.00 56.01 52.77 1hvl n LEU 5 Cb 0.58 -0.54 0.18 0.00 -2.33 0.00 0.00 43.42 41.32 1hvl n LEU 5 CO 0.49 0.83 0.98 -0.50 -1.33 0.00 0.00 177.39 177.85 1hvl h TRP 6 N 1.25 0.87 -1.24 -1.77 4.06 -2.06 -3.43 115.95 113.63 1hvl h TRP 6 Ca 0.05 -0.08 -0.63 0.00 2.06 0.00 0.00 58.89 60.29 1hvl h TRP 6 Cb 1.40 -0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 29.18 1hvl h TRP 6 CO 0.52 0.73 -0.55 1.14 -3.56 0.00 0.00 178.44 176.73 1hvl s GLN 7 N -5.22 2.08 0.16 0.49 -2.07 -1.26 -5.09 119.66 108.75 1hvl s GLN 7 Ca -0.10 -2.15 -0.34 0.00 -1.82 0.00 0.00 55.36 50.96 1hvl s GLN 7 Cb 0.15 -1.68 -0.15 0.00 -1.09 0.00 0.00 33.01 30.24 1hvl s GLN 7 CO 0.80 -0.17 1.43 0.54 -1.32 0.00 0.00 175.29 176.58 1hvl n ARG 8 N -1.13 1.76 -1.66 9.60 1.74 -1.26 -4.81 116.66 120.90 1hvl n ARG 8 Ca -0.08 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1hvl n ARG 8 Cb 0.66 -2.32 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 1hvl n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hvl n PRO 9 N 2.69 2.79 -2.92 5.56 -0.04 -1.26 -4.91 135.00 136.91 1hvl n PRO 9 Ca 0.16 -2.52 -0.41 0.00 -0.04 0.00 0.00 63.50 60.69 1hvl n PRO 9 Cb 0.26 -3.24 -0.04 0.00 -0.04 0.00 0.00 33.50 30.45 1hvl n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvl s LEU 10 N 2.02 4.30 0.36 1.53 1.43 -1.26 -0.73 118.68 126.33 1hvl s LEU 10 Ca 0.49 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.94 1hvl s LEU 10 Cb 0.14 -3.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.06 1hvl s LEU 10 CO -0.07 -0.22 0.06 0.68 0.23 0.00 0.00 176.35 177.03 1hvl s VAL 11 N 1.16 1.18 -0.14 -1.59 -7.23 1.00 -4.90 120.40 109.87 1hvl s VAL 11 Ca 0.41 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 1hvl s VAL 11 Cb -0.18 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1hvl s VAL 11 CO 0.19 0.00 0.63 -0.89 -0.31 0.00 0.00 175.10 174.72 1hvl s THR 12 N -3.19 5.06 0.20 5.32 2.01 -1.26 0.45 115.64 124.23 1hvl s THR 12 Ca 0.32 1.24 0.09 0.00 0.31 0.00 0.00 61.69 63.65 1hvl s THR 12 Cb 0.07 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1hvl s THR 12 CO 0.15 0.19 -0.06 0.27 -0.69 0.00 0.00 174.62 174.48 1hvl s ILE 13 N 1.33 3.34 -0.15 1.82 -4.36 0.13 -2.87 121.20 120.44 1hvl s ILE 13 Ca 0.31 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1hvl s ILE 13 Cb -0.16 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.86 1hvl s ILE 13 CO 0.13 -0.17 -0.16 -0.75 0.24 0.00 0.00 174.94 174.23 1hvl s LYS 14 N -3.03 3.24 -0.08 0.37 2.20 0.50 -1.45 119.74 121.48 1hvl s LYS 14 Ca 0.27 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 55.08 1hvl s LYS 14 Cb -0.08 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1hvl s LYS 14 CO 0.17 0.07 0.19 -1.50 -0.36 0.00 0.00 175.35 173.91 1hvl s ILE 15 N 0.69 -0.03 -1.56 5.43 2.07 0.10 -1.21 121.20 126.70 1hvl s ILE 15 Ca -0.07 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1hvl s ILE 15 Cb -0.16 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.14 1hvl s ILE 15 CO 0.02 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1hvl n GLY 16 N 3.76 0.03 3.07 1.50 0.00 -1.26 0.64 105.19 112.93 1hvl n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hvl n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvl n GLY 17 N -0.77 0.45 3.92 -0.02 0.00 -1.26 -5.01 105.19 102.49 1hvl n GLY 17 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1hvl n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvl s GLN 18 N -0.62 3.52 -0.17 1.61 -1.52 0.21 -5.09 119.66 117.60 1hvl s GLN 18 Ca 0.00 -0.32 -0.15 0.00 -1.95 0.00 0.00 55.36 52.94 1hvl s GLN 18 Cb 0.00 -2.91 -0.04 0.00 -0.22 0.00 0.00 33.01 29.84 1hvl s GLN 18 CO 0.00 0.49 0.34 -0.51 -0.25 0.00 0.00 175.29 175.36 1hvl s LEU 19 N -2.90 4.21 0.17 2.90 1.02 -1.26 0.03 118.68 122.86 1hvl s LEU 19 Ca 0.38 0.52 0.03 0.00 0.02 0.00 0.00 54.13 55.08 1hvl s LEU 19 Cb -0.12 -2.44 -0.05 0.00 0.02 0.00 0.00 46.19 43.61 1hvl s LEU 19 CO 0.27 0.03 -0.05 -0.54 0.02 0.00 0.00 176.35 176.09 1hvl s LYS 20 N 0.80 1.14 -0.05 1.70 3.01 -0.53 -4.98 119.74 120.82 1hvl s LYS 20 Ca 0.18 -1.53 -0.08 0.00 -1.01 0.00 0.00 55.97 53.54 1hvl s LYS 20 Cb -0.14 -0.51 -0.04 0.00 -1.01 0.00 0.00 37.83 36.12 1hvl s LYS 20 CO 0.06 -0.03 0.22 -1.21 0.51 0.00 0.00 175.35 174.91 1hvl s GLU 21 N -3.82 3.55 0.05 1.68 2.02 -1.26 0.20 118.70 121.12 1hvl s GLU 21 Ca 0.21 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.12 1hvl s GLU 21 Cb 0.04 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 1hvl s GLU 21 CO 0.03 0.71 0.04 0.00 0.02 0.00 0.00 175.26 176.07 1hvl s ALA 22 N -1.15 0.20 -0.19 5.21 0.00 0.17 -4.49 121.76 121.51 1hvl s ALA 22 Ca 0.21 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1hvl s ALA 22 Cb -0.13 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1hvl s ALA 22 CO 0.11 -0.36 0.42 -1.17 0.00 0.00 0.00 175.76 174.76 1hvl s LEU 23 N -2.54 4.18 -0.35 0.00 2.96 0.81 -0.00 118.68 123.73 1hvl s LEU 23 Ca 0.01 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 1hvl s LEU 23 Cb 0.03 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.18 1hvl s LEU 23 CO -0.08 -0.07 1.26 -0.76 -1.32 0.00 0.00 176.35 175.38 1hvl s LEU 24 N 1.19 3.79 -0.35 -0.68 1.43 0.10 -0.52 118.68 123.64 1hvl s LEU 24 Ca 0.20 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1hvl s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 1hvl s LEU 24 CO 0.08 -1.14 0.10 -0.62 0.23 0.00 0.00 176.35 175.01 1hvl s ASP 25 N 2.75 4.32 0.54 2.29 -1.08 0.18 -4.83 116.67 120.85 1hvl s ASP 25 Ca 0.54 -2.07 0.36 0.00 -0.52 0.00 0.00 52.55 50.86 1hvl s ASP 25 Cb -0.14 -1.26 1.72 0.00 -1.46 0.00 0.00 42.92 41.78 1hvl s ASP 25 CO 0.25 -0.37 2.08 0.71 0.52 0.00 0.00 175.17 178.35 1hvl h THR 26 N 6.33 0.00 -0.00 1.71 1.35 -1.94 -2.48 112.91 117.89 1hvl h THR 26 Ca -0.08 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1hvl h THR 26 Cb 1.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1hvl h THR 26 CO 0.51 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.24 1hvl n GLY 27 N -0.52 -0.92 3.75 5.82 0.00 -1.26 -4.82 105.19 107.24 1hvl n GLY 27 Ca -0.01 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1hvl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvl s ALA 28 N -2.53 3.62 0.29 4.61 0.00 -0.93 -4.96 121.76 121.86 1hvl s ALA 28 Ca 0.27 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1hvl s ALA 28 Cb 0.20 -2.37 0.44 0.00 0.00 0.00 0.00 23.12 21.39 1hvl s ALA 28 CO 0.50 0.16 1.72 -0.44 0.00 0.00 0.00 175.76 177.70 1hvl h ASP 29 N 6.36 0.39 -2.05 0.00 5.19 -1.87 0.20 116.42 124.63 1hvl h ASP 29 Ca -0.43 -0.14 -0.60 0.00 -0.62 0.00 0.00 57.03 55.23 1hvl h ASP 29 Cb 1.17 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.44 1hvl h ASP 29 CO 0.73 0.69 -0.67 -1.81 -3.12 0.00 0.00 179.24 175.06 1hvl s ASP 30 N -6.84 3.61 -0.24 6.45 1.01 -1.26 -2.72 116.67 116.67 1hvl s ASP 30 Ca -0.06 -1.22 -0.09 0.00 0.71 0.00 0.00 52.55 51.89 1hvl s ASP 30 Cb 0.14 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1hvl s ASP 30 CO 0.78 -0.25 0.13 -0.89 0.21 0.00 0.00 175.17 175.15 1hvl s THR 31 N -2.68 5.00 -0.20 -1.27 2.01 -1.26 -3.06 115.64 114.18 1hvl s THR 31 Ca 0.32 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1hvl s THR 31 Cb 0.03 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 69.25 1hvl s THR 31 CO 0.16 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.63 1hvl s VAL 32 N 1.28 1.68 0.13 3.82 1.01 -0.82 -0.52 120.40 126.98 1hvl s VAL 32 Ca 0.06 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1hvl s VAL 32 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1hvl s VAL 32 CO 0.06 0.19 0.02 -0.76 0.00 0.00 0.00 175.10 174.61 1hvl s LEU 33 N 1.38 3.48 0.93 3.92 1.43 0.86 -0.15 118.68 130.53 1hvl s LEU 33 Ca -0.01 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1hvl s LEU 33 Cb -0.16 -2.17 0.09 0.00 0.03 0.00 0.00 46.19 43.98 1hvl s LEU 33 CO -0.08 0.13 0.75 -1.84 0.23 0.00 0.00 176.35 175.54 1hvl n GLU 34 N 0.23 -0.36 -1.69 1.70 0.28 -1.26 -1.50 120.64 118.04 1hvl n GLU 34 Ca -0.10 -0.05 -0.45 0.00 -0.16 0.00 0.00 57.16 56.40 1hvl n GLU 34 Cb 0.53 -2.10 -0.04 0.00 1.43 0.00 0.00 31.44 31.27 1hvl n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvl n GLU 35 N -2.86 2.39 -3.48 3.44 0.00 -1.21 -4.46 120.64 114.45 1hvl n GLU 35 Ca 0.09 0.86 -0.11 0.00 0.00 0.00 0.00 57.16 58.00 1hvl n GLU 35 Cb 0.53 -2.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.27 1hvl n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hvl s MET 36 N 1.25 1.00 -0.27 5.31 0.23 -1.26 -5.03 119.30 120.53 1hvl s MET 36 Ca 0.78 -0.22 -0.17 0.00 -1.03 0.00 0.00 55.69 55.05 1hvl s MET 36 Cb -0.61 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.12 1hvl s MET 36 CO 0.37 -0.41 0.47 -1.54 -2.03 0.00 0.00 175.02 171.88 1hvl s SER 37 N -2.22 6.38 0.15 -1.18 1.04 -1.26 -5.04 113.70 111.56 1hvl s SER 37 Ca 0.00 0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.94 1hvl s SER 37 Cb -0.01 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 1hvl s SER 37 CO -0.06 -0.27 -0.10 -0.76 0.98 0.00 0.00 173.24 173.03 1hvl s LEU 38 N 2.25 2.98 0.28 2.42 1.43 -1.26 -5.06 118.68 121.72 1hvl s LEU 38 Ca 0.19 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1hvl s LEU 38 Cb -0.16 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 1hvl s LEU 38 CO 0.10 0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.77 1hvl s PRO 39 N -2.57 4.61 0.00 1.29 0.04 -1.26 -4.93 135.00 132.19 1hvl s PRO 39 Ca 0.23 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1hvl s PRO 39 Cb -0.10 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1hvl s PRO 39 CO 0.14 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1hvl n GLY 40 N 1.21 4.17 3.84 0.56 0.00 -1.26 -5.05 105.19 108.65 1hvl n GLY 40 Ca -0.01 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1hvl n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvl s ARG 41 N -3.46 3.86 0.05 1.61 3.00 -1.26 -5.07 118.95 117.67 1hvl s ARG 41 Ca 0.00 1.00 -0.00 0.00 0.00 0.00 0.00 55.73 56.72 1hvl s ARG 41 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 34.95 32.79 1hvl s ARG 41 CO 0.00 -0.35 -0.03 1.67 0.00 0.00 0.00 175.30 176.59 1hvl s TRP 42 N -2.59 0.48 -0.09 -0.53 1.48 -1.26 -4.64 118.94 111.80 1hvl s TRP 42 Ca 0.60 -0.91 -0.01 0.00 -1.06 0.00 0.00 56.10 54.72 1hvl s TRP 42 Cb -0.11 -0.35 -0.03 0.00 -1.16 0.00 0.00 33.47 31.82 1hvl s TRP 42 CO 0.32 -0.31 -0.02 0.15 -4.06 0.00 0.00 176.95 173.03 1hvl s LYS 43 N -3.22 2.98 0.32 3.25 3.01 -0.63 -4.87 119.74 120.58 1hvl s LYS 43 Ca 0.01 -0.46 -0.29 0.00 -1.01 0.00 0.00 55.97 54.22 1hvl s LYS 43 Cb 0.03 -2.75 -0.10 0.00 -1.01 0.00 0.00 37.83 34.00 1hvl s LYS 43 CO -0.07 0.65 1.31 -1.25 0.51 0.00 0.00 175.35 176.50 1hvl s PRO 44 N -0.75 4.36 0.05 -1.68 0.04 -1.26 0.53 135.00 136.29 1hvl s PRO 44 Ca 0.11 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 1hvl s PRO 44 Cb -0.11 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1hvl s PRO 44 CO 0.02 -0.19 -0.01 0.21 0.04 0.00 0.00 177.00 177.06 1hvl s LYS 45 N -1.61 0.61 -0.01 4.56 2.20 0.29 -4.84 119.74 120.94 1hvl s LYS 45 Ca 0.50 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 1hvl s LYS 45 Cb -0.39 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1hvl s LYS 45 CO 0.51 -0.12 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.55 1hvl s MET 46 N -3.73 2.21 0.03 4.03 -1.94 -1.26 -0.04 119.30 118.60 1hvl s MET 46 Ca 0.05 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1hvl s MET 46 Cb 0.06 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 1hvl s MET 46 CO -0.09 0.57 -0.04 0.96 -0.01 0.00 0.00 175.02 176.41 1hvl s ILE 47 N -0.76 0.23 0.37 2.53 -5.25 -0.60 -4.97 121.20 112.74 1hvl s ILE 47 Ca 0.12 -1.08 0.09 0.00 -0.99 0.00 0.00 60.65 58.79 1hvl s ILE 47 Cb -0.10 -0.51 -0.07 0.00 2.95 0.00 0.00 42.46 44.72 1hvl s ILE 47 CO 0.02 -0.54 -0.05 -0.83 -1.79 0.00 0.00 174.94 171.74 1hvl s GLY 48 N -1.69 2.31 0.00 6.27 0.00 -1.26 -0.20 107.32 112.75 1hvl s GLY 48 Ca -0.11 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 42.44 1hvl s GLY 48 CO -0.02 -2.05 0.00 0.61 0.00 0.00 0.00 173.10 171.64 1hvl n GLY 49 N -0.87 3.41 3.76 0.20 0.00 0.10 -4.98 105.19 106.81 1hvl n GLY 49 Ca -0.05 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1hvl n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hvl s ILE 50 N -1.39 2.35 0.00 -0.61 -1.09 -1.26 -2.37 121.20 116.83 1hvl s ILE 50 Ca 0.00 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1hvl s ILE 50 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1hvl s ILE 50 CO 0.00 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1hvl n GLY 51 N 1.51 3.10 0.00 6.18 0.00 -1.26 -4.91 105.19 109.81 1hvl n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1hvl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvl n GLY 52 N -1.22 0.86 3.60 -0.02 0.00 -1.00 -5.07 105.19 102.34 1hvl n GLY 52 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1hvl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvl s PHE 53 N -2.61 3.05 0.25 1.61 0.08 -1.26 0.02 117.98 119.11 1hvl s PHE 53 Ca 0.00 0.01 0.11 0.00 0.12 0.00 0.00 56.93 57.17 1hvl s PHE 53 Cb 0.00 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 1hvl s PHE 53 CO 0.00 0.29 -0.18 0.96 -0.10 0.00 0.00 175.22 176.19 1hvl s ILE 54 N -0.52 2.62 -0.12 0.64 -4.36 0.72 -4.96 121.20 115.22 1hvl s ILE 54 Ca 0.08 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.09 1hvl s ILE 54 Cb -0.12 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.21 1hvl s ILE 54 CO 0.02 -0.30 0.56 -0.75 0.24 0.00 0.00 174.94 174.71 1hvl s LYS 55 N -3.25 4.34 0.31 0.37 2.20 -1.26 -1.56 119.74 120.89 1hvl s LYS 55 Ca 0.27 0.58 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 1hvl s LYS 55 Cb -0.06 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1hvl s LYS 55 CO 0.14 0.06 0.07 0.14 -0.36 0.00 0.00 175.35 175.40 1hvl s VAL 56 N 0.89 1.06 -0.17 4.02 -7.23 0.94 -4.41 120.40 115.50 1hvl s VAL 56 Ca 0.29 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 1hvl s VAL 56 Cb -0.16 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1hvl s VAL 56 CO 0.12 0.00 0.05 -0.13 -0.31 0.00 0.00 175.10 174.84 1hvl s ARG 57 N -3.91 3.82 -0.24 4.82 0.52 0.50 -0.55 118.95 123.90 1hvl s ARG 57 Ca 0.37 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 1hvl s ARG 57 Cb 0.08 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1hvl s ARG 57 CO 0.15 0.36 0.29 -1.14 0.02 0.00 0.00 175.30 174.98 1hvl s GLN 58 N 0.12 4.06 -0.19 3.54 0.74 0.19 -1.16 119.66 126.97 1hvl s GLN 58 Ca 0.05 -0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.35 1hvl s GLN 58 Cb -0.12 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 1hvl s GLN 58 CO 0.01 -0.10 -0.04 0.71 -0.55 0.00 0.00 175.29 175.32 1hvl s TYR 59 N 1.52 2.98 0.37 1.67 1.51 0.21 -1.61 117.35 124.00 1hvl s TYR 59 Ca 0.13 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1hvl s TYR 59 Cb -0.15 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 1hvl s TYR 59 CO 0.08 -0.32 0.69 -0.51 -1.11 0.00 0.00 175.55 174.38 1hvl s ASP 60 N 1.00 6.45 -1.57 2.29 1.01 -1.26 -0.07 116.67 124.51 1hvl s ASP 60 Ca 0.01 0.93 -0.12 0.00 0.71 0.00 0.00 52.55 54.08 1hvl s ASP 60 Cb -0.15 -2.24 0.09 0.00 1.01 0.00 0.00 42.92 41.64 1hvl s ASP 60 CO 0.01 -0.35 0.73 1.67 0.21 0.00 0.00 175.17 177.43 1hvl n GLN 61 N -1.34 -3.77 -3.16 8.23 7.27 -1.20 -4.90 117.38 118.52 1hvl n GLN 61 Ca 0.00 0.44 -0.39 0.00 0.07 0.00 0.00 57.00 57.12 1hvl n GLN 61 Cb 0.54 -5.03 -0.06 0.00 2.41 0.00 0.00 30.24 28.11 1hvl n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1hvl s ILE 62 N -3.49 4.85 -0.16 1.69 -1.09 0.14 -4.65 121.20 118.49 1hvl s ILE 62 Ca 0.50 1.33 -0.25 0.00 -2.23 0.00 0.00 60.65 60.00 1hvl s ILE 62 Cb -0.27 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1hvl s ILE 62 CO 0.89 0.42 0.82 -0.22 -1.23 0.00 0.00 174.94 175.62 1hvl s LEU 63 N -0.24 4.18 0.04 2.97 1.98 -1.26 -0.70 118.68 125.65 1hvl s LEU 63 Ca 0.32 1.17 0.04 0.00 -2.89 0.00 0.00 54.13 52.77 1hvl s LEU 63 Cb -0.19 -3.22 -0.02 0.00 0.66 0.00 0.00 46.19 43.42 1hvl s LEU 63 CO 0.19 -0.38 -0.12 -0.51 -1.89 0.00 0.00 176.35 173.64 1hvl s ILE 64 N 2.06 0.89 -0.15 6.68 2.07 0.88 -4.47 121.20 129.16 1hvl s ILE 64 Ca 0.38 -0.95 0.01 0.00 -1.41 0.00 0.00 60.65 58.68 1hvl s ILE 64 Cb -0.17 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1hvl s ILE 64 CO 0.13 -0.09 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.18 1hvl s GLU 65 N -1.18 3.11 -0.24 3.50 2.12 -0.35 0.03 118.70 125.70 1hvl s GLU 65 Ca -0.01 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1hvl s GLU 65 Cb -0.08 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.81 1hvl s GLU 65 CO 0.01 -0.00 -0.08 0.42 -0.54 0.00 0.00 175.26 175.06 1hvl s ILE 66 N 0.83 2.71 -1.56 -3.70 1.01 0.13 -0.37 121.20 120.25 1hvl s ILE 66 Ca -0.06 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1hvl s ILE 66 Cb -0.15 -2.37 0.08 0.00 0.01 0.00 0.00 42.46 40.02 1hvl s ILE 66 CO -0.01 0.21 0.58 0.00 0.00 0.00 0.00 174.94 175.72 1hvl n GLY 68 N -1.74 2.34 3.78 0.00 0.00 -1.26 -5.01 105.19 103.29 1hvl n GLY 68 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1hvl n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvl s HIS 69 N -3.05 3.48 0.17 1.61 4.02 0.91 -5.06 115.29 117.37 1hvl s HIS 69 Ca 0.00 0.46 -0.28 0.00 1.02 0.00 0.00 55.06 56.26 1hvl s HIS 69 Cb 0.00 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.58 29.35 1hvl s HIS 69 CO 0.00 0.42 0.87 0.15 1.02 0.00 0.00 174.74 177.20 1hvl s LYS 70 N -0.07 4.69 0.03 1.40 1.02 -1.26 0.21 119.74 125.77 1hvl s LYS 70 Ca 0.12 1.32 0.02 0.00 0.02 0.00 0.00 55.97 57.46 1hvl s LYS 70 Cb -0.12 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1hvl s LYS 70 CO 0.01 0.46 -0.08 0.00 -0.92 0.00 0.00 175.35 174.82 1hvl s ALA 71 N -0.84 0.61 -0.21 5.17 0.00 0.11 -4.68 121.76 121.91 1hvl s ALA 71 Ca 0.40 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1hvl s ALA 71 Cb -0.24 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1hvl s ALA 71 CO 0.29 0.05 -0.03 0.42 0.00 0.00 0.00 175.76 176.49 1hvl s ILE 72 N -0.96 1.17 0.00 0.00 1.01 -1.26 -0.08 121.20 121.08 1hvl s ILE 72 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1hvl s ILE 72 Cb -0.07 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1hvl s ILE 72 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1hvl n GLY 73 N 4.81 1.48 3.71 6.18 0.00 0.12 -4.79 105.19 116.70 1hvl n GLY 73 Ca -0.11 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1hvl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvl s THR 74 N -2.59 4.71 -0.09 2.61 2.01 -1.26 -0.68 115.64 120.34 1hvl s THR 74 Ca 0.00 1.94 0.03 0.00 0.31 0.00 0.00 61.69 63.98 1hvl s THR 74 Cb 0.00 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 1hvl s THR 74 CO 0.00 0.14 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.19 1hvl s VAL 75 N 1.07 2.48 -0.16 3.82 1.01 0.90 -4.52 120.40 125.00 1hvl s VAL 75 Ca 0.53 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1hvl s VAL 75 Cb -0.22 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1hvl s VAL 75 CO 0.28 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.30 1hvl s LEU 76 N 0.11 4.26 -0.12 3.92 1.43 0.33 -0.62 118.68 127.98 1hvl s LEU 76 Ca -0.09 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1hvl s LEU 76 Cb -0.16 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1hvl s LEU 76 CO 0.06 0.28 -0.13 -0.69 0.23 0.00 0.00 176.35 176.10 1hvl s VAL 77 N -0.25 3.09 -0.02 -1.59 1.01 -0.31 -0.10 120.40 122.24 1hvl s VAL 77 Ca 0.11 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1hvl s VAL 77 Cb -0.11 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1hvl s VAL 77 CO 0.01 0.53 1.14 0.61 0.00 0.00 0.00 175.10 177.38 1hvl n GLY 78 N 3.42 0.27 2.55 4.51 0.00 -0.56 -0.37 105.19 115.01 1hvl n GLY 78 Ca -0.18 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1hvl n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvl n PRO 79 N -0.82 2.68 -3.01 1.61 -0.04 -1.26 -3.32 135.00 130.84 1hvl n PRO 79 Ca 0.04 -1.85 -0.39 0.00 -0.04 0.00 0.00 63.50 61.26 1hvl n PRO 79 Cb 0.52 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 1hvl n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvl s THR 80 N 3.08 4.52 0.50 0.52 -1.32 -1.26 -4.98 115.64 116.71 1hvl s THR 80 Ca 0.53 1.63 0.22 0.00 -1.21 0.00 0.00 61.69 62.85 1hvl s THR 80 Cb 0.14 -4.11 0.37 0.00 -1.51 0.00 0.00 72.50 67.39 1hvl s THR 80 CO -0.03 0.48 1.99 -0.65 -2.21 0.00 0.00 174.62 174.20 1hvl h PRO 81 N 4.77 0.12 -3.24 7.08 0.11 -1.98 -3.43 132.00 135.43 1hvl h PRO 81 Ca -0.46 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1hvl h PRO 81 Cb 1.21 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.06 1hvl h PRO 81 CO 0.67 0.08 -0.43 0.54 -0.21 0.00 0.00 178.00 178.65 1hvl s VAL 82 N -5.13 0.03 0.04 3.15 0.11 -1.26 -5.07 120.40 112.27 1hvl s VAL 82 Ca -0.06 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 1hvl s VAL 82 Cb 0.20 -0.41 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 1hvl s VAL 82 CO 0.73 -0.15 1.45 0.20 -3.33 0.00 0.00 175.10 174.01 1hvl s ASN 83 N -0.53 6.80 -0.16 3.54 0.01 -1.26 -4.71 114.94 118.62 1hvl s ASN 83 Ca -0.06 2.23 -0.01 0.00 -0.71 0.00 0.00 52.86 54.30 1hvl s ASN 83 Cb -0.04 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1hvl s ASN 83 CO 0.01 -0.74 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.13 1hvl s ILE 84 N 2.17 3.08 -0.36 0.60 -1.09 0.79 -0.13 121.20 126.26 1hvl s ILE 84 Ca 0.66 -0.63 -0.15 0.00 -2.23 0.00 0.00 60.65 58.30 1hvl s ILE 84 Cb -0.34 -2.33 -0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1hvl s ILE 84 CO 0.28 0.49 0.36 -0.63 -1.23 0.00 0.00 174.94 174.21 1hvl s ILE 85 N 0.81 5.18 0.56 2.92 -1.09 0.33 -1.95 121.20 127.94 1hvl s ILE 85 Ca -0.04 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1hvl s ILE 85 Cb -0.15 -3.86 0.11 0.00 -1.58 0.00 0.00 42.46 36.98 1hvl s ILE 85 CO 0.01 -0.17 0.76 0.61 -1.23 0.00 0.00 174.94 174.92 1hvl n GLY 86 N 5.03 0.79 0.30 6.18 0.00 -1.17 -0.64 105.19 115.67 1hvl n GLY 86 Ca -0.09 -2.03 0.15 0.00 0.00 0.00 0.00 46.02 44.05 1hvl n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvl h ARG 87 N 0.00 0.00 -0.69 1.61 3.08 -1.03 -1.60 114.38 115.75 1hvl h ARG 87 Ca -0.25 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.85 1hvl h ARG 87 Cb 0.95 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1hvl h ARG 87 CO 0.28 0.02 0.45 -2.95 -1.07 0.00 0.00 179.97 176.70 1hvl h ASN 88 N 0.00 0.65 0.18 7.04 -1.07 -1.77 -2.44 115.58 118.17 1hvl h ASN 88 Ca -0.00 -0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 1hvl h ASN 88 Cb 0.06 -0.14 -0.05 0.00 -2.07 0.00 0.00 38.32 36.11 1hvl h ASN 88 CO 0.00 0.43 -2.11 0.18 0.07 0.00 0.00 177.43 176.00 1hvl n LEU 89 N -4.47 1.19 -0.11 6.14 4.77 -0.97 -4.24 117.00 119.31 1hvl n LEU 89 Ca 0.10 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1hvl n LEU 89 Cb 0.20 -0.09 0.43 0.00 -2.33 0.00 0.00 43.42 41.63 1hvl n LEU 89 CO 0.34 0.59 1.19 -0.07 -1.33 0.00 0.00 177.39 178.11 1hvl h LEU 90 N 0.01 0.49 -1.13 2.23 3.38 -1.28 -1.57 115.31 117.45 1hvl h LEU 90 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1hvl h LEU 90 Cb 2.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1hvl h LEU 90 CO 0.04 0.31 -0.24 0.71 0.09 0.00 0.00 178.44 179.35 1hvl h THR 91 N 0.56 1.24 -0.65 0.22 1.35 -1.63 -1.52 112.91 112.48 1hvl h THR 91 Ca 0.27 -1.14 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 1hvl h THR 91 Cb 0.34 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1hvl h THR 91 CO -0.08 0.35 0.06 1.56 -0.25 0.00 0.00 175.52 177.17 1hvl h GLN 92 N 0.29 1.10 -0.17 4.72 4.20 -1.47 -2.71 115.11 121.08 1hvl h GLN 92 Ca 0.05 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1hvl h GLN 92 Cb 0.58 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1hvl h GLN 92 CO 0.04 1.03 0.00 0.44 -0.67 0.00 0.00 178.83 179.67 1hvl n ILE 93 N -4.20 0.16 -1.96 2.54 -5.35 -1.07 -4.90 119.36 104.59 1hvl n ILE 93 Ca 0.04 -0.15 -0.05 0.00 -0.27 0.00 0.00 62.75 62.32 1hvl n ILE 93 Cb 0.32 0.04 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 1hvl n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvl n GLY 94 N 0.63 0.25 3.70 3.28 0.00 -1.02 -4.98 105.19 107.06 1hvl n GLY 94 Ca 0.04 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1hvl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvl s THR 96 N 1.52 1.86 -0.21 0.00 -4.23 -1.26 -4.76 115.64 108.56 1hvl s THR 96 Ca 0.55 -2.24 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 1hvl s THR 96 Cb -0.25 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1hvl s THR 96 CO 0.25 -0.54 0.23 -0.76 -0.54 0.00 0.00 174.62 173.26 1hvl s LEU 97 N -3.36 4.17 -0.03 4.79 1.43 -1.26 -5.08 118.68 119.34 1hvl s LEU 97 Ca 0.24 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1hvl s LEU 97 Cb -0.01 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 1hvl s LEU 97 CO 0.09 0.07 -0.19 0.20 0.23 0.00 0.00 176.35 176.74 1hvl s ASN 98 N 0.79 2.34 0.00 2.29 -0.87 -1.26 -5.29 114.94 112.93 1hvl s ASN 98 Ca 0.12 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 1hvl s ASN 98 Cb -0.13 -0.42 0.00 0.00 -0.02 0.00 0.00 41.25 40.68 1hvl s ASN 98 CO 0.04 0.21 0.00 2.22 -2.57 0.00 0.00 177.10 177.00