#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bx9 h VAL 2 N 0.00 0.66 -3.48 2.03 2.07 -2.09 -3.40 116.25 112.02 2bx9 h VAL 2 Ca 0.00 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.94 2bx9 h VAL 2 Cb 0.00 0.66 -0.38 0.00 -1.52 0.00 0.00 31.29 30.04 2bx9 h VAL 2 CO 0.00 0.00 -0.79 -0.51 0.02 0.00 0.00 177.57 176.29 2bx9 s ILE 3 N -6.12 1.28 0.60 4.57 2.07 -1.26 -5.10 121.20 117.24 2bx9 s ILE 3 Ca -0.15 -0.95 0.07 0.00 -1.41 0.00 0.00 60.65 58.21 2bx9 s ILE 3 Cb 0.06 -1.54 0.10 0.00 0.13 0.00 0.00 42.46 41.21 2bx9 s ILE 3 CO 0.65 -0.04 0.83 0.00 -1.91 0.00 0.00 174.94 174.47 2bx9 n ALA 4 N 4.78 0.97 -0.31 1.50 0.00 -1.26 -4.98 120.51 121.21 2bx9 n ALA 4 Ca -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 53.44 51.27 2bx9 n ALA 4 Cb 0.46 0.50 0.08 0.00 0.00 0.00 0.00 19.45 20.49 2bx9 n ALA 4 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bx9 h THR 5 N -0.07 1.23 0.00 0.00 2.02 -2.00 -2.38 112.91 111.72 2bx9 h THR 5 Ca -0.28 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2bx9 h THR 5 Cb 1.21 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2bx9 h THR 5 CO 0.37 0.23 0.00 0.44 0.37 0.00 0.00 175.52 176.93 2bx9 h ASP 6 N 1.15 0.00 1.42 4.18 3.32 -1.95 0.18 116.42 124.71 2bx9 h ASP 6 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2bx9 h ASP 6 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2bx9 h ASP 6 CO -0.06 0.00 -0.33 0.44 -1.72 0.00 0.00 179.24 177.57 2bx9 h ASP 7 N 0.00 0.00 0.00 6.45 3.32 -1.81 -3.38 116.42 121.00 2bx9 h ASP 7 Ca 0.00 -0.05 -0.27 0.00 0.02 0.00 0.00 57.03 56.73 2bx9 h ASP 7 Cb 0.23 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 2bx9 h ASP 7 CO 0.00 0.02 -2.02 0.18 -1.72 0.00 0.00 179.24 175.71 2bx9 n LEU 8 N -2.58 1.56 -4.06 1.55 4.77 0.25 -4.34 117.00 114.16 2bx9 n LEU 8 Ca 0.03 -0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 2bx9 n LEU 8 Cb 0.49 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 2bx9 n LEU 8 CO 0.35 0.59 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.97 2bx9 s GLU 9 N -2.36 0.63 0.03 3.23 2.02 0.36 -1.86 118.70 120.77 2bx9 s GLU 9 Ca -0.16 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.25 2bx9 s GLU 9 Cb 0.05 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 2bx9 s GLU 9 CO 0.50 0.13 -0.03 0.08 0.02 0.00 0.00 175.26 175.96 2bx9 s VAL 10 N -0.89 3.92 0.04 2.63 1.01 0.14 -4.39 120.40 122.87 2bx9 s VAL 10 Ca -0.03 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2bx9 s VAL 10 Cb -0.07 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 2bx9 s VAL 10 CO 0.01 0.29 1.55 0.00 0.00 0.00 0.00 175.10 176.94 2bx9 s ALA 11 N -1.14 3.64 0.27 5.51 0.00 -1.26 -0.47 121.76 128.32 2bx9 s ALA 11 Ca 0.21 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 2bx9 s ALA 11 Cb -0.11 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 2bx9 s ALA 11 CO 0.12 -1.03 1.37 0.00 0.00 0.00 0.00 175.76 176.23 2bx9 h PRO 13 N 4.46 0.50 0.89 0.00 0.13 -1.93 -1.94 132.00 134.12 2bx9 h PRO 13 Ca -0.47 -0.66 -0.04 0.00 -0.87 0.00 0.00 66.00 63.96 2bx9 h PRO 13 Cb 1.22 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2bx9 h PRO 13 CO 0.73 1.28 -0.48 -0.22 -0.23 0.00 0.00 178.00 179.08 2bx9 h LYS 14 N 0.23 -1.22 -0.01 0.86 1.63 -2.00 -3.29 116.57 112.77 2bx9 h LYS 14 Ca -0.15 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2bx9 h LYS 14 Cb 1.84 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 2bx9 h LYS 14 CO 0.21 -0.81 -0.35 0.00 -3.45 0.00 0.00 179.45 175.05 2bx9 n GLU 16 N -0.56 -1.57 0.00 0.00 1.02 -0.73 -2.47 120.64 116.32 2bx9 n GLU 16 Ca 0.11 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.25 2bx9 n GLU 16 Cb 0.38 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 2bx9 n GLU 16 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2bx9 n ARG 17 N -2.86 0.00 0.24 3.49 0.63 -1.21 -4.90 116.66 112.05 2bx9 n ARG 17 Ca -0.23 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.83 2bx9 n ARG 17 Cb 0.68 -0.15 0.34 0.00 0.45 0.00 0.00 32.46 33.78 2bx9 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bx9 h ALA 18 N 0.00 0.99 0.00 5.13 0.00 -1.74 -3.42 119.26 120.22 2bx9 h ALA 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bx9 h ALA 18 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bx9 h ALA 18 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2bx9 n GLY 19 N 0.73 0.68 2.93 0.00 0.00 -1.26 -4.85 105.19 103.42 2bx9 n GLY 19 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2bx9 n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bx9 s GLU 20 N -0.32 0.09 -0.92 1.61 2.12 -1.26 -1.91 118.70 118.11 2bx9 s GLU 20 Ca 0.00 0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.48 2bx9 s GLU 20 Cb 0.00 -0.09 0.24 0.00 0.26 0.00 0.00 34.13 34.54 2bx9 s GLU 20 CO 0.00 -0.10 0.88 0.42 -0.54 0.00 0.00 175.26 175.91 2bx9 s ILE 21 N 0.71 5.66 -0.52 -3.70 -1.09 0.59 -4.72 121.20 118.12 2bx9 s ILE 21 Ca -0.05 -2.87 -0.02 0.00 -2.23 0.00 0.00 60.65 55.48 2bx9 s ILE 21 Cb -0.07 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2bx9 s ILE 21 CO -0.03 -1.08 0.36 -1.84 -1.23 0.00 0.00 174.94 171.12 2bx9 n GLU 22 N 3.46 -0.89 0.00 2.79 0.28 -1.26 -2.07 120.64 122.95 2bx9 n GLU 22 Ca 0.17 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.55 2bx9 n GLU 22 Cb 0.44 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.01 2bx9 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bx9 n GLY 23 N -1.23 3.06 3.69 -1.84 0.00 -1.26 -5.04 105.19 102.56 2bx9 n GLY 23 Ca -0.18 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2bx9 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bx9 s THR 24 N -0.12 4.94 -0.37 2.61 2.01 -0.88 -4.98 115.64 118.85 2bx9 s THR 24 Ca 0.00 1.60 -0.44 0.00 0.31 0.00 0.00 61.69 63.16 2bx9 s THR 24 Cb 0.00 -4.12 -0.18 0.00 0.01 0.00 0.00 72.50 68.21 2bx9 s THR 24 CO 0.00 0.12 1.62 -2.65 -0.69 0.00 0.00 174.62 173.02 2bx9 n PRO 25 N 4.56 0.47 -1.71 4.92 -0.01 -1.26 -0.30 135.00 141.67 2bx9 n PRO 25 Ca 0.02 0.17 -0.42 0.00 -0.01 0.00 0.00 63.50 63.26 2bx9 n PRO 25 Cb 0.50 -1.74 -0.03 0.00 -0.01 0.00 0.00 33.50 32.21 2bx9 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2bx9 n PRO 27 N 4.68 0.21 -0.05 0.00 -0.02 -1.26 -1.51 135.00 137.04 2bx9 n PRO 27 Ca 0.17 0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2bx9 n PRO 27 Cb 0.36 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 2bx9 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bx9 h ALA 28 N 2.55 0.00 -0.26 3.55 0.00 -1.99 -3.36 119.26 119.75 2bx9 h ALA 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bx9 h ALA 28 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2bx9 h ALA 28 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2bx9 n SER 30 N 0.72 -2.69 0.00 0.00 7.64 -0.57 -2.35 113.62 116.38 2bx9 n SER 30 Ca 0.17 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2bx9 n SER 30 Cb 0.42 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 2bx9 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bx9 n GLY 31 N -1.58 2.63 0.26 0.23 0.00 -1.00 -4.89 105.19 100.85 2bx9 n GLY 31 Ca -0.19 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.72 2bx9 n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bx9 h LYS 32 N 0.00 0.00 -0.01 1.61 1.79 -1.74 -3.40 116.57 114.82 2bx9 h LYS 32 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bx9 h LYS 32 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2bx9 h LYS 32 CO 0.00 0.07 -0.00 0.41 -1.08 0.00 0.00 179.45 178.85 2bx9 n GLY 33 N -1.16 0.45 3.41 3.86 0.00 -1.26 -4.77 105.19 105.72 2bx9 n GLY 33 Ca -0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 2bx9 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bx9 s VAL 34 N -1.90 0.02 -0.04 1.61 0.11 -1.26 -2.96 120.40 115.99 2bx9 s VAL 34 Ca 0.00 -0.19 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2bx9 s VAL 34 Cb 0.00 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2bx9 s VAL 34 CO 0.00 -0.10 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.83 2bx9 s ILE 35 N -1.20 1.72 0.41 7.04 1.01 0.38 -4.74 121.20 125.81 2bx9 s ILE 35 Ca -0.12 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 2bx9 s ILE 35 Cb -0.02 -1.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 2bx9 s ILE 35 CO 0.07 0.49 0.95 -0.76 0.00 0.00 0.00 174.94 175.69 2bx9 s LEU 36 N -0.24 4.03 0.60 2.97 1.43 -1.26 0.29 118.68 126.49 2bx9 s LEU 36 Ca 0.01 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2bx9 s LEU 36 Cb -0.11 -4.42 0.06 0.00 0.03 0.00 0.00 46.19 41.75 2bx9 s LEU 36 CO 0.01 -0.30 0.84 0.42 0.23 0.00 0.00 176.35 177.55 2bx9 s THR 37 N -2.05 2.50 0.25 5.49 -4.23 -0.78 -4.85 115.64 111.96 2bx9 s THR 37 Ca 0.59 -0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 2bx9 s THR 37 Cb -0.11 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.11 2bx9 s THR 37 CO 0.15 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.99 2bx9 h ALA 38 N -0.09 1.14 -0.32 3.99 0.00 -1.90 0.04 119.26 122.12 2bx9 h ALA 38 Ca -0.40 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2bx9 h ALA 38 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2bx9 h ALA 38 CO 0.48 -0.10 -0.27 0.37 0.00 0.00 0.00 179.25 179.73 2bx9 h GLN 39 N 0.58 0.64 0.01 0.00 5.75 -1.91 -1.30 115.11 118.88 2bx9 h GLN 39 Ca 0.42 -0.26 -0.22 0.00 -0.15 0.00 0.00 58.65 58.43 2bx9 h GLN 39 Cb 0.56 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2bx9 h GLN 39 CO -0.34 0.84 -0.95 0.78 -2.65 0.00 0.00 178.83 176.51 2bx9 h GLY 40 N 1.00 0.36 1.03 2.39 0.00 -1.46 -2.61 103.07 103.78 2bx9 h GLY 40 Ca 0.07 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 2bx9 h GLY 40 CO 0.06 0.58 -0.16 -1.82 0.00 0.00 0.00 176.54 175.20 2bx9 h TYR 41 N 0.17 0.97 0.14 5.60 3.20 -0.88 -2.37 116.97 123.81 2bx9 h TYR 41 Ca -0.07 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.59 2bx9 h TYR 41 Cb 1.59 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 2bx9 h TYR 41 CO 0.05 0.99 -0.28 1.15 -1.64 0.00 0.00 178.16 178.43 2bx9 h THR 42 N 0.68 0.40 -0.48 1.81 2.02 -1.18 0.46 112.91 116.62 2bx9 h THR 42 Ca 0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.35 2bx9 h THR 42 Cb 0.71 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2bx9 h THR 42 CO 0.05 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 176.02 2bx9 h LEU 43 N -0.50 0.13 -0.40 2.58 3.38 -1.49 -2.27 115.31 116.73 2bx9 h LEU 43 Ca 0.02 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 2bx9 h LEU 43 Cb 0.52 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2bx9 h LEU 43 CO -0.15 0.10 -0.74 0.25 0.09 0.00 0.00 178.44 178.00 2bx9 h LEU 44 N 0.31 0.46 -0.28 1.67 5.85 -1.18 -1.98 115.31 120.16 2bx9 h LEU 44 Ca 0.23 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2bx9 h LEU 44 Cb 0.26 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2bx9 h LEU 44 CO -0.25 1.04 0.03 0.44 -0.34 0.00 0.00 178.44 179.36 2bx9 h ASP 45 N 0.26 0.46 -0.29 1.25 5.19 -0.87 -1.57 116.42 120.85 2bx9 h ASP 45 Ca -0.03 -0.27 0.02 0.00 -0.62 0.00 0.00 57.03 56.13 2bx9 h ASP 45 Cb 1.31 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2bx9 h ASP 45 CO 0.13 0.62 0.13 0.15 -3.12 0.00 0.00 179.24 177.14 2bx9 h PHE 46 N 0.28 0.23 -0.31 4.55 3.57 -1.25 0.41 116.94 124.42 2bx9 h PHE 46 Ca 0.08 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2bx9 h PHE 46 Cb 0.36 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2bx9 h PHE 46 CO 0.03 0.12 0.03 0.82 -2.23 0.00 0.00 178.31 177.08 2bx9 h ILE 47 N 0.27 1.24 -0.29 1.41 1.08 -1.34 -1.92 117.51 117.97 2bx9 h ILE 47 Ca 0.12 -0.86 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2bx9 h ILE 47 Cb 0.06 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2bx9 h ILE 47 CO -0.10 0.28 -0.11 1.56 -0.69 0.00 0.00 178.15 179.09 2bx9 h GLN 48 N 0.34 0.48 -0.18 2.37 4.20 -1.17 0.20 115.11 121.36 2bx9 h GLN 48 Ca 0.09 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 2bx9 h GLN 48 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2bx9 h GLN 48 CO 0.01 0.60 -0.49 -0.22 -0.67 0.00 0.00 178.83 178.06 2bx9 h LYS 49 N 0.45 0.48 0.00 1.46 3.64 -0.74 -3.38 116.57 118.48 2bx9 h LYS 49 Ca 0.09 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2bx9 h LYS 49 Cb 0.47 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2bx9 h LYS 49 CO 0.03 0.86 -0.73 0.72 -2.27 0.00 0.00 179.45 178.05 2bx9 n HIS 50 N -3.98 0.00 -1.74 1.91 8.25 -0.74 -4.83 115.22 114.09 2bx9 n HIS 50 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2bx9 n HIS 50 Cb 0.56 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2bx9 n HIS 50 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2bx9 s LEU 51 N -2.74 4.38 -0.95 2.41 2.96 0.70 -2.13 118.68 123.30 2bx9 s LEU 51 Ca -0.00 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2bx9 s LEU 51 Cb 0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2bx9 s LEU 51 CO 0.03 -0.97 0.00 0.59 -1.32 0.00 0.00 176.35 174.68 2bx9 n ASN 52 N 4.55 -2.80 -0.94 3.68 3.02 -1.26 -4.97 115.26 116.53 2bx9 n ASN 52 Ca 0.16 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 55.08 2bx9 n ASN 52 Cb 0.36 -2.62 0.10 0.00 -0.61 0.00 0.00 39.78 37.02 2bx9 n ASN 52 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93