#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 0.42 -3.31 1.12 2.07 -2.10 -3.37 116.25 111.08 2bx9 h VAL 2 Ca 0.00 -0.09 -0.53 0.00 0.82 0.00 0.00 66.70 66.89 2bx9 h VAL 2 Cb 0.00 0.14 -0.40 0.00 -1.52 0.00 0.00 31.29 29.51 2bx9 h VAL 2 CO 0.00 0.05 -0.77 -0.51 0.02 0.00 0.00 177.57 176.36 2bx9 s ILE 3 N -5.98 0.68 0.51 4.57 2.07 -1.26 -5.10 121.20 116.69 2bx9 s ILE 3 Ca -0.12 -0.71 0.05 0.00 -1.41 0.00 0.00 60.65 58.46 2bx9 s ILE 3 Cb 0.24 -1.18 0.04 0.00 0.13 0.00 0.00 42.46 41.68 2bx9 s ILE 3 CO 0.77 -0.23 0.70 0.00 -1.91 0.00 0.00 174.94 174.27 2bx9 s ALA 4 N 1.78 4.28 0.36 1.50 0.00 -1.26 -4.97 121.76 123.45 2bx9 s ALA 4 Ca -0.01 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 50.39 2bx9 s ALA 4 Cb -0.17 -1.79 0.76 0.00 0.00 0.00 0.00 23.12 21.92 2bx9 s ALA 4 CO -0.09 -0.60 1.94 1.15 0.00 0.00 0.00 175.76 178.16 2bx9 h THR 5 N 0.30 0.99 0.00 0.00 2.02 -1.98 -0.43 112.91 113.81 2bx9 h THR 5 Ca -0.39 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2bx9 h THR 5 Cb 1.29 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2bx9 h THR 5 CO 0.46 0.14 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2bx9 n ASP 6 N -4.49 0.00 0.03 4.18 8.00 -1.26 -0.44 116.55 122.57 2bx9 n ASP 6 Ca 0.12 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.16 2bx9 n ASP 6 Cb 0.27 -0.47 0.11 0.00 -0.02 0.00 0.00 41.12 41.02 2bx9 n ASP 6 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2bx9 n ASP 7 N -1.47 0.63 -0.08 -2.24 8.00 -0.18 -4.44 116.55 116.78 2bx9 n ASP 7 Ca 0.05 -0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.24 2bx9 n ASP 7 Cb 0.18 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.71 2bx9 n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bx9 n LEU 8 N -1.84 2.30 -4.15 0.64 4.77 -0.41 -4.31 117.00 114.00 2bx9 n LEU 8 Ca 0.03 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 2bx9 n LEU 8 Cb 0.40 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2bx9 n LEU 8 CO 0.38 0.69 -0.47 -1.61 -1.33 0.00 0.00 177.39 175.04 2bx9 s GLU 9 N -2.34 1.05 -0.03 3.23 2.02 0.42 -0.84 118.70 122.20 2bx9 s GLU 9 Ca -0.20 -0.72 0.07 0.00 0.02 0.00 0.00 54.97 54.14 2bx9 s GLU 9 Cb 0.06 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 2bx9 s GLU 9 CO 0.44 0.27 -0.23 0.08 0.02 0.00 0.00 175.26 175.84 2bx9 s VAL 10 N -0.71 2.32 0.25 2.63 1.01 0.16 -4.34 120.40 121.71 2bx9 s VAL 10 Ca 0.03 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 2bx9 s VAL 10 Cb -0.07 -1.84 -0.13 0.00 0.00 0.00 0.00 36.38 34.34 2bx9 s VAL 10 CO 0.01 0.58 1.56 0.00 0.00 0.00 0.00 175.10 177.25 2bx9 n ALA 11 N 2.47 2.00 -2.24 5.51 0.00 -1.26 -0.17 120.51 126.82 2bx9 n ALA 11 Ca -0.16 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2bx9 n ALA 11 Cb 0.51 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 2bx9 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx9 h PRO 13 N 6.99 0.88 0.49 0.00 0.13 -1.91 -0.61 132.00 137.97 2bx9 h PRO 13 Ca -0.41 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 2bx9 h PRO 13 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2bx9 h PRO 13 CO 0.86 0.75 -0.24 -0.22 -0.23 0.00 0.00 178.00 178.92 2bx9 h LYS 14 N 0.82 -0.63 -0.11 0.86 1.63 -1.99 -3.29 116.57 113.87 2bx9 h LYS 14 Ca 0.20 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 2bx9 h LYS 14 Cb 0.18 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2bx9 h LYS 14 CO -0.02 -0.35 0.00 0.00 -3.45 0.00 0.00 179.45 175.64 2bx9 n GLU 16 N 1.11 -1.29 0.00 0.00 1.02 -0.24 -1.54 120.64 119.70 2bx9 n GLU 16 Ca 0.16 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2bx9 n GLU 16 Cb 0.54 -3.54 0.00 0.00 -0.02 0.00 0.00 31.44 28.42 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 -4.63 0.00 0.15 3.49 3.00 -1.22 -4.84 116.66 112.61 2bx9 n ARG 17 Ca -0.21 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.77 2bx9 n ARG 17 Cb 0.63 -0.88 0.38 0.00 0.00 0.00 0.00 32.46 32.59 2bx9 n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bx9 h ALA 18 N 0.00 1.00 0.00 5.13 0.00 -1.54 -3.43 119.26 120.42 2bx9 h ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2bx9 n GLY 19 N 0.96 1.20 2.91 0.00 0.00 -1.26 -4.90 105.19 104.10 2bx9 n GLY 19 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.20 0.19 -0.21 1.61 -6.30 -1.26 -2.51 118.70 110.02 2bx9 s GLU 20 Ca 0.00 -0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.37 2bx9 s GLU 20 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 34.13 33.98 2bx9 s GLU 20 CO 0.00 0.05 -0.13 0.42 0.02 0.00 0.00 175.26 175.61 2bx9 s ILE 21 N -0.10 2.40 -0.80 -3.70 -1.09 0.02 -4.80 121.20 113.12 2bx9 s ILE 21 Ca 0.00 -1.04 -0.08 0.00 -2.23 0.00 0.00 60.65 57.30 2bx9 s ILE 21 Cb -0.01 -2.15 0.01 0.00 -1.58 0.00 0.00 42.46 38.73 2bx9 s ILE 21 CO -0.00 0.34 0.14 -0.62 -1.23 0.00 0.00 174.94 173.57 2bx9 n GLU 22 N 4.61 -0.82 0.00 2.79 -0.58 -1.26 0.10 120.64 125.49 2bx9 n GLU 22 Ca -0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 2bx9 n GLU 22 Cb 0.48 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2bx9 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bx9 n GLY 23 N -1.78 1.99 3.67 0.62 0.00 -1.26 -4.99 105.19 103.44 2bx9 n GLY 23 Ca -0.14 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.24 3.39 0.28 2.61 2.01 0.29 -4.94 115.64 119.04 2bx9 s THR 24 Ca 0.00 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 2bx9 s THR 24 Cb 0.00 -3.37 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 2bx9 s THR 24 CO 0.00 -0.04 1.51 -0.81 -0.69 0.00 0.00 174.62 174.59 2bx9 n PRO 25 N 6.82 2.45 -2.26 4.92 -0.04 -1.26 -0.80 135.00 144.82 2bx9 n PRO 25 Ca 0.17 0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 64.08 2bx9 n PRO 25 Cb 0.42 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 2bx9 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bx9 h PRO 27 N 8.08 0.00 0.50 0.00 0.11 -1.92 -1.91 132.00 136.86 2bx9 h PRO 27 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 2bx9 h PRO 27 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bx9 h PRO 27 CO 0.92 0.33 -0.24 0.00 -0.21 0.00 0.00 178.00 178.80 2bx9 h ALA 28 N 1.67 -0.67 -0.38 -0.75 0.00 -1.99 -3.24 119.26 113.89 2bx9 h ALA 28 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2bx9 h ALA 28 Cb 1.23 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2bx9 h ALA 28 CO 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.42 2bx9 n SER 30 N 0.24 -3.82 0.00 0.00 3.41 -0.76 -1.79 113.62 110.90 2bx9 n SER 30 Ca 0.19 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2bx9 n SER 30 Cb 0.73 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2bx9 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bx9 n GLY 31 N -1.88 2.43 0.20 5.00 0.00 -0.95 -4.84 105.19 105.15 2bx9 n GLY 31 Ca -0.15 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.61 1.57 -1.63 -3.41 116.57 114.70 2bx9 h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bx9 h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2bx9 h LYS 32 CO 0.00 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 2bx9 n GLY 33 N 0.40 0.81 3.15 3.86 0.00 -1.26 -4.78 105.19 107.37 2bx9 n GLY 33 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2bx9 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bx9 s VAL 34 N -3.14 0.05 -0.06 1.61 1.01 -1.26 -1.92 120.40 116.68 2bx9 s VAL 34 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2bx9 s VAL 34 Cb 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2bx9 s VAL 34 CO 0.00 -0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.10 2bx9 s ILE 35 N -0.80 2.83 0.34 2.22 1.01 0.76 -4.82 121.20 122.74 2bx9 s ILE 35 Ca -0.09 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.50 2bx9 s ILE 35 Cb -0.05 -2.10 -0.10 0.00 0.01 0.00 0.00 42.46 40.23 2bx9 s ILE 35 CO 0.02 0.58 0.99 -0.76 0.00 0.00 0.00 174.94 175.77 2bx9 s LEU 36 N -0.51 4.31 0.78 2.97 1.43 -1.26 0.38 118.68 126.78 2bx9 s LEU 36 Ca 0.07 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.01 2bx9 s LEU 36 Cb -0.12 -4.02 0.09 0.00 0.03 0.00 0.00 46.19 42.18 2bx9 s LEU 36 CO 0.01 -0.19 1.12 0.42 0.23 0.00 0.00 176.35 177.94 2bx9 s THR 37 N -1.58 2.13 0.20 5.49 -4.23 -0.02 -4.86 115.64 112.76 2bx9 s THR 37 Ca 0.52 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 2bx9 s THR 37 Cb -0.21 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 70.77 2bx9 s THR 37 CO 0.27 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.16 2bx9 h ALA 38 N -0.91 0.79 -0.85 3.99 0.00 -1.89 -1.33 119.26 119.07 2bx9 h ALA 38 Ca -0.44 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2bx9 h ALA 38 Cb 1.30 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2bx9 h ALA 38 CO 0.57 0.05 0.52 0.37 0.00 0.00 0.00 179.25 180.76 2bx9 h GLN 39 N 0.67 0.90 -0.40 0.00 5.75 -1.91 -1.60 115.11 118.51 2bx9 h GLN 39 Ca 0.26 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 2bx9 h GLN 39 Cb 0.10 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 2bx9 h GLN 39 CO -0.14 0.60 -0.24 0.78 -2.65 0.00 0.00 178.83 177.18 2bx9 h GLY 40 N 0.93 0.95 0.92 2.39 0.00 -1.54 -2.83 103.07 103.89 2bx9 h GLY 40 Ca 0.38 -0.88 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2bx9 h GLY 40 CO -0.19 0.80 -0.03 -0.97 0.00 0.00 0.00 176.54 176.15 2bx9 h TYR 41 N 0.69 0.69 -0.59 5.60 0.99 -1.15 -1.80 116.97 121.40 2bx9 h TYR 41 Ca 0.08 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 60.76 2bx9 h TYR 41 Cb 0.81 -0.18 -0.10 0.00 1.00 0.00 0.00 36.73 38.26 2bx9 h TYR 41 CO 0.06 0.76 -0.49 1.15 -0.00 0.00 0.00 178.16 179.65 2bx9 h THR 42 N 0.43 0.05 -0.33 -2.88 2.02 -1.21 0.32 112.91 111.29 2bx9 h THR 42 Ca 0.09 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 2bx9 h THR 42 Cb 0.51 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2bx9 h THR 42 CO 0.02 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.87 2bx9 h LEU 43 N -0.24 0.56 -0.55 2.58 3.38 -1.49 -1.86 115.31 117.68 2bx9 h LEU 43 Ca 0.15 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2bx9 h LEU 43 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2bx9 h LEU 43 CO -0.70 0.71 0.22 0.25 0.09 0.00 0.00 178.44 179.01 2bx9 h LEU 44 N 0.39 0.76 -0.52 1.67 5.85 -1.02 -1.08 115.31 121.36 2bx9 h LEU 44 Ca 0.10 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2bx9 h LEU 44 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2bx9 h LEU 44 CO 0.01 0.72 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.04 2bx9 h ASP 45 N 0.75 0.92 -0.16 1.25 3.58 -0.36 -0.12 116.42 122.28 2bx9 h ASP 45 Ca 0.18 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2bx9 h ASP 45 Cb 0.20 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2bx9 h ASP 45 CO -0.02 1.01 0.10 0.15 -2.88 0.00 0.00 179.24 177.60 2bx9 h PHE 46 N 0.80 0.22 -0.60 0.28 3.57 -1.23 -1.75 116.94 118.23 2bx9 h PHE 46 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2bx9 h PHE 46 Cb 0.55 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2bx9 h PHE 46 CO 0.04 0.19 0.32 0.82 -2.23 0.00 0.00 178.31 177.45 2bx9 h ILE 47 N 0.18 1.20 -0.23 1.41 1.08 -1.07 -2.58 117.51 117.50 2bx9 h ILE 47 Ca 0.06 -0.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.95 2bx9 h ILE 47 Cb 0.04 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 2bx9 h ILE 47 CO -0.01 0.22 -0.11 -0.61 -0.69 0.00 0.00 178.15 176.94 2bx9 h GLN 48 N 0.81 0.38 0.00 2.37 4.15 -0.86 0.43 115.11 122.39 2bx9 h GLN 48 Ca 0.21 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2bx9 h GLN 48 Cb 0.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2bx9 h GLN 48 CO -0.03 0.50 -0.67 1.57 -1.93 0.00 0.00 178.83 178.27 2bx9 h LYS 49 N 0.36 0.00 0.00 1.69 2.10 -1.15 -3.37 116.57 116.19 2bx9 h LYS 49 Ca 0.07 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.65 2bx9 h LYS 49 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2bx9 h LYS 49 CO 0.02 0.00 -1.59 0.72 -2.00 0.00 0.00 179.45 176.61 2bx9 n HIS 50 N -2.56 0.00 -1.80 0.07 8.25 -0.99 -5.02 115.22 113.17 2bx9 n HIS 50 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2bx9 n HIS 50 Cb 0.51 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -4.13 4.36 -0.44 2.41 2.96 0.13 -3.74 118.68 120.22 2bx9 s LEU 51 Ca -0.04 2.86 -0.01 0.00 -0.22 0.00 0.00 54.13 56.71 2bx9 s LEU 51 Cb 0.06 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2bx9 s LEU 51 CO 0.45 -0.90 0.38 0.59 -1.32 0.00 0.00 176.35 175.55 2bx9 n ASN 52 N 2.96 -2.96 -0.19 3.68 3.02 -1.26 -5.00 115.26 115.51 2bx9 n ASN 52 Ca 0.11 -0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.42 2bx9 n ASN 52 Cb 0.37 -2.34 0.02 0.00 -0.61 0.00 0.00 39.78 37.22 2bx9 n ASN 52 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93