#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 0.00 -3.28 1.12 2.07 -2.10 -3.41 116.25 110.66 2bx9 h VAL 2 Ca 0.00 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.86 2bx9 h VAL 2 Cb 0.00 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 29.41 2bx9 h VAL 2 CO 0.00 0.00 -0.84 0.27 0.02 0.00 0.00 177.57 177.02 2bx9 s ILE 3 N -5.13 2.04 0.66 4.57 -4.36 -1.26 -5.09 121.20 112.63 2bx9 s ILE 3 Ca -0.14 -1.10 -0.02 0.00 -0.26 0.00 0.00 60.65 59.14 2bx9 s ILE 3 Cb 0.03 -1.94 0.08 0.00 1.25 0.00 0.00 42.46 41.88 2bx9 s ILE 3 CO 0.44 0.38 0.92 0.00 0.24 0.00 0.00 174.94 176.92 2bx9 s ALA 4 N 1.26 3.61 0.23 2.27 0.00 -1.26 -4.97 121.76 122.90 2bx9 s ALA 4 Ca 0.01 -1.37 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 2bx9 s ALA 4 Cb -0.15 -2.19 0.21 0.00 0.00 0.00 0.00 23.12 20.99 2bx9 s ALA 4 CO -0.11 -1.18 1.89 1.15 0.00 0.00 0.00 175.76 177.52 2bx9 h THR 5 N -0.34 1.24 0.00 0.00 2.02 -2.00 -2.44 112.91 111.38 2bx9 h THR 5 Ca -0.41 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2bx9 h THR 5 Cb 1.29 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2bx9 h THR 5 CO 0.49 0.24 0.00 0.47 0.37 0.00 0.00 175.52 177.09 2bx9 n ASP 6 N -4.44 0.44 0.17 4.18 8.00 -1.26 -0.41 116.55 123.23 2bx9 n ASP 6 Ca 0.10 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.34 2bx9 n ASP 6 Cb 0.03 -0.71 0.29 0.00 -0.02 0.00 0.00 41.12 40.72 2bx9 n ASP 6 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2bx9 h ASP 7 N 0.00 0.00 0.00 -2.24 3.32 -1.81 -3.39 116.42 112.30 2bx9 h ASP 7 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 2bx9 h ASP 7 Cb 0.29 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2bx9 h ASP 7 CO 0.00 0.00 -1.87 0.18 -1.72 0.00 0.00 179.24 175.83 2bx9 n LEU 8 N -2.70 2.22 -3.87 1.55 4.77 0.45 -4.34 117.00 115.08 2bx9 n LEU 8 Ca 0.05 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2bx9 n LEU 8 Cb 0.48 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2bx9 n LEU 8 CO 0.32 0.64 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.97 2bx9 s GLU 9 N -2.31 0.34 -0.05 3.23 4.04 -0.28 -1.18 118.70 122.49 2bx9 s GLU 9 Ca -0.17 -0.23 -0.01 0.00 0.04 0.00 0.00 54.97 54.60 2bx9 s GLU 9 Cb 0.05 0.14 -0.04 0.00 0.02 0.00 0.00 34.13 34.30 2bx9 s GLU 9 CO 0.39 -0.07 0.02 0.08 -1.84 0.00 0.00 175.26 173.85 2bx9 s VAL 10 N -0.88 4.40 0.09 1.83 1.01 0.12 -4.35 120.40 122.61 2bx9 s VAL 10 Ca -0.10 -0.35 -0.33 0.00 0.00 0.00 0.00 61.98 61.21 2bx9 s VAL 10 Cb -0.06 -2.91 -0.12 0.00 0.00 0.00 0.00 36.38 33.29 2bx9 s VAL 10 CO 0.01 0.50 1.76 0.00 0.00 0.00 0.00 175.10 177.37 2bx9 n ALA 11 N 1.76 1.63 -1.81 5.51 0.00 -1.26 -0.30 120.51 126.04 2bx9 n ALA 11 Ca -0.17 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2bx9 n ALA 11 Cb 0.53 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 7.75 0.12 0.00 0.00 0.13 -1.91 -2.27 132.00 135.82 2bx9 h PRO 13 Ca -0.44 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2bx9 h PRO 13 Cb 1.21 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2bx9 h PRO 13 CO 0.94 0.40 -1.02 -0.22 -0.23 0.00 0.00 178.00 177.87 2bx9 h LYS 14 N 0.11 0.62 -0.06 0.86 1.63 -1.98 -3.37 116.57 114.37 2bx9 h LYS 14 Ca 0.02 -0.67 0.00 0.00 -0.85 0.00 0.00 60.65 59.14 2bx9 h LYS 14 Cb 0.57 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2bx9 h LYS 14 CO 0.04 1.27 0.00 0.00 -3.45 0.00 0.00 179.45 177.31 2bx9 n GLU 16 N -0.27 -0.66 0.00 0.00 -0.58 -0.85 -1.43 120.64 116.85 2bx9 n GLU 16 Ca 0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2bx9 n GLU 16 Cb 0.27 -2.68 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 2bx9 n GLU 16 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2bx9 n ARG 17 N -4.39 0.00 -1.92 3.49 5.12 -1.24 -5.00 116.66 112.72 2bx9 n ARG 17 Ca -0.21 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.38 2bx9 n ARG 17 Cb 0.57 -0.55 0.03 0.00 -1.16 0.00 0.00 32.46 31.34 2bx9 n ARG 17 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bx9 s ALA 18 N -0.95 2.59 -0.09 7.54 0.00 -0.51 -4.53 121.76 125.81 2bx9 s ALA 18 Ca 0.00 0.54 0.15 0.00 0.00 0.00 0.00 51.96 52.64 2bx9 s ALA 18 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2bx9 s ALA 18 CO 0.00 -1.05 1.04 0.78 0.00 0.00 0.00 175.76 176.53 2bx9 h GLY 19 N 0.33 0.00 -2.91 0.00 0.00 -1.85 -3.38 103.07 95.26 2bx9 h GLY 19 Ca -0.47 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.40 2bx9 h GLY 19 CO 0.55 0.00 -0.33 -0.54 0.00 0.00 0.00 176.54 176.22 2bx9 s GLU 20 N -2.87 3.33 -0.17 4.80 8.01 -1.26 -2.12 118.70 128.41 2bx9 s GLU 20 Ca -0.01 -0.73 -0.01 0.00 0.01 0.00 0.00 54.97 54.24 2bx9 s GLU 20 Cb 0.08 -2.80 0.05 0.00 -4.31 0.00 0.00 34.13 27.15 2bx9 s GLU 20 CO 0.79 0.22 -0.03 0.42 0.01 0.00 0.00 175.26 176.67 2bx9 s ILE 21 N -2.15 0.95 -0.34 -1.63 -1.09 0.12 -4.62 121.20 112.44 2bx9 s ILE 21 Ca 0.39 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2bx9 s ILE 21 Cb -0.09 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.58 2bx9 s ILE 21 CO 0.32 0.05 0.00 -1.84 -1.23 0.00 0.00 174.94 172.23 2bx9 n GLU 22 N 4.92 -2.05 0.00 2.79 -0.00 -1.26 -2.24 120.64 122.80 2bx9 n GLU 22 Ca -0.11 0.19 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 2bx9 n GLU 22 Cb 0.47 -4.52 0.00 0.00 -0.00 0.00 0.00 31.44 27.39 2bx9 n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bx9 n GLY 23 N -0.37 3.12 3.86 -1.84 0.00 -1.26 -5.10 105.19 103.60 2bx9 n GLY 23 Ca -0.04 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2bx9 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bx9 s THR 24 N 0.00 4.74 0.50 2.61 -4.23 -0.95 -4.90 115.64 113.41 2bx9 s THR 24 Ca 0.00 0.80 -0.22 0.00 -1.18 0.00 0.00 61.69 61.10 2bx9 s THR 24 Cb 0.00 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 2bx9 s THR 24 CO 0.00 -0.25 1.01 -2.65 -0.54 0.00 0.00 174.62 172.20 2bx9 n PRO 25 N -0.55 1.22 -2.03 3.99 -0.02 -1.26 0.15 135.00 136.50 2bx9 n PRO 25 Ca 0.03 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2bx9 n PRO 25 Cb 0.53 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2bx9 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bx9 n PRO 27 N 4.94 0.02 -0.07 0.00 -0.04 -1.26 -2.45 135.00 136.14 2bx9 n PRO 27 Ca 0.14 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2bx9 n PRO 27 Cb 0.41 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 2bx9 n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bx9 n ALA 28 N -1.22 1.53 0.15 0.55 0.00 -1.26 -4.63 120.51 115.63 2bx9 n ALA 28 Ca 0.01 -0.70 0.10 0.00 0.00 0.00 0.00 53.44 52.85 2bx9 n ALA 28 Cb 0.01 0.15 0.26 0.00 0.00 0.00 0.00 19.45 19.87 2bx9 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bx9 n SER 30 N 1.22 -4.42 0.00 0.00 2.88 -1.02 -2.38 113.62 109.90 2bx9 n SER 30 Ca 0.20 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 2bx9 n SER 30 Cb 0.50 -1.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 2bx9 n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bx9 n GLY 31 N -1.99 2.79 0.22 0.46 0.00 -1.24 -4.82 105.19 100.61 2bx9 n GLY 31 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.56 0.00 0.00 1.61 1.57 -1.75 -3.38 116.57 115.17 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 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2bx9 n GLY 33 N 0.82 0.60 3.15 3.86 0.00 -1.26 -4.88 105.19 107.48 2bx9 n GLY 33 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.66 0.12 -0.10 1.61 0.11 -1.26 -2.16 120.40 116.07 2bx9 s VAL 34 Ca 0.00 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 2bx9 s VAL 34 Cb 0.00 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2bx9 s VAL 34 CO 0.00 -0.56 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.40 2bx9 s ILE 35 N -2.66 1.60 0.39 7.04 1.01 0.59 -4.80 121.20 124.37 2bx9 s ILE 35 Ca -0.04 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 2bx9 s ILE 35 Cb -0.01 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 2bx9 s ILE 35 CO -0.05 0.46 1.12 -0.76 0.00 0.00 0.00 174.94 175.71 2bx9 s LEU 36 N 0.69 4.19 0.62 2.97 1.02 -1.26 0.14 118.68 127.04 2bx9 s LEU 36 Ca -0.13 2.22 -0.03 0.00 0.02 0.00 0.00 54.13 56.21 2bx9 s LEU 36 Cb -0.16 -4.07 0.04 0.00 0.02 0.00 0.00 46.19 42.02 2bx9 s LEU 36 CO 0.03 -0.59 0.89 0.42 0.02 0.00 0.00 176.35 177.12 2bx9 s THR 37 N -1.49 2.68 0.22 5.49 -4.23 -0.32 -4.86 115.64 113.12 2bx9 s THR 37 Ca 0.57 -0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 2bx9 s THR 37 Cb -0.27 -3.08 0.22 0.00 1.34 0.00 0.00 72.50 70.71 2bx9 s THR 37 CO 0.34 -0.07 1.64 0.00 -0.54 0.00 0.00 174.62 176.00 2bx9 h ALA 38 N -0.23 0.56 -0.51 3.99 0.00 -1.89 0.10 119.26 121.28 2bx9 h ALA 38 Ca -0.44 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2bx9 h ALA 38 Cb 1.30 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2bx9 h ALA 38 CO 0.57 -0.41 0.27 0.37 0.00 0.00 0.00 179.25 180.04 2bx9 h GLN 39 N 0.07 0.72 -0.48 0.00 5.75 -1.90 -1.25 115.11 118.01 2bx9 h GLN 39 Ca 0.33 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.61 2bx9 h GLN 39 Cb 0.53 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2bx9 h GLN 39 CO -0.59 0.58 -0.20 0.78 -2.65 0.00 0.00 178.83 176.74 2bx9 h GLY 40 N 0.68 1.06 0.98 2.39 0.00 -1.56 -2.28 103.07 104.34 2bx9 h GLY 40 Ca 0.18 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.59 2bx9 h GLY 40 CO -0.03 0.84 0.35 -1.82 0.00 0.00 0.00 176.54 175.88 2bx9 h TYR 41 N 0.84 0.66 0.01 5.60 3.20 -0.83 -1.95 116.97 124.50 2bx9 h TYR 41 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2bx9 h TYR 41 Cb 0.77 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2bx9 h TYR 41 CO 0.05 0.41 -0.19 1.15 -1.64 0.00 0.00 178.16 177.93 2bx9 h THR 42 N 0.70 0.54 -0.63 1.81 2.02 -0.94 0.17 112.91 116.59 2bx9 h THR 42 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 2bx9 h THR 42 Cb -0.07 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2bx9 h THR 42 CO -0.05 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.14 2bx9 h LEU 43 N -0.32 0.60 -0.19 2.58 3.38 -1.37 -1.93 115.31 118.06 2bx9 h LEU 43 Ca 0.05 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2bx9 h LEU 43 Cb 0.39 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2bx9 h LEU 43 CO -0.17 0.41 -0.40 0.25 0.09 0.00 0.00 178.44 178.62 2bx9 h LEU 44 N 0.73 0.68 -0.14 1.67 6.46 -1.06 -1.30 115.31 122.35 2bx9 h LEU 44 Ca 0.26 -0.55 0.04 0.00 -0.12 0.00 0.00 57.88 57.51 2bx9 h LEU 44 Cb 0.07 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 2bx9 h LEU 44 CO -0.13 1.11 -0.13 0.44 -0.62 0.00 0.00 178.44 179.12 2bx9 h ASP 45 N 0.28 -0.40 0.08 1.25 3.32 -0.63 -0.61 116.42 119.72 2bx9 h ASP 45 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2bx9 h ASP 45 Cb 1.00 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2bx9 h ASP 45 CO 0.09 -0.17 -0.16 0.15 -1.72 0.00 0.00 179.24 177.43 2bx9 h PHE 46 N -0.15 -0.41 -0.02 4.55 3.57 -1.20 -1.24 116.94 122.04 2bx9 h PHE 46 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2bx9 h PHE 46 Cb 0.28 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2bx9 h PHE 46 CO -0.25 -0.24 -0.08 0.82 -2.23 0.00 0.00 178.31 176.33 2bx9 h ILE 47 N -0.30 0.79 -0.84 1.41 1.08 -1.09 -2.35 117.51 116.20 2bx9 h ILE 47 Ca 0.03 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.64 2bx9 h ILE 47 Cb 0.33 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 2bx9 h ILE 47 CO -0.10 0.00 0.55 1.56 -0.69 0.00 0.00 178.15 179.47 2bx9 h GLN 48 N -0.13 0.58 -0.05 2.37 4.20 -0.95 0.17 115.11 121.29 2bx9 h GLN 48 Ca 0.04 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2bx9 h GLN 48 Cb 0.18 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2bx9 h GLN 48 CO -0.09 0.38 -0.82 0.87 -0.67 0.00 0.00 178.83 178.50 2bx9 h LYS 49 N 0.60 0.42 0.00 1.46 1.57 -0.93 -3.38 116.57 116.30 2bx9 h LYS 49 Ca 0.42 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2bx9 h LYS 49 Cb 0.76 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2bx9 h LYS 49 CO -0.17 1.03 -1.07 0.72 -0.57 0.00 0.00 179.45 179.39 2bx9 n HIS 50 N -3.80 0.00 -2.01 -1.35 8.25 -0.91 -4.92 115.22 110.47 2bx9 n HIS 50 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.00 2bx9 n HIS 50 Cb 0.76 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 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 -3.22 4.39 -1.60 2.41 2.96 0.55 -2.12 118.68 122.04 2bx9 s LEU 51 Ca -0.01 2.70 -0.02 0.00 -0.22 0.00 0.00 54.13 56.58 2bx9 s LEU 51 Cb 0.07 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.14 2bx9 s LEU 51 CO 0.42 -0.69 0.28 0.59 -1.32 0.00 0.00 176.35 175.63 2bx9 n ASN 52 N 1.94 -5.69 -0.57 3.68 4.13 -1.26 -4.98 115.26 112.51 2bx9 n ASN 52 Ca 0.05 -0.13 0.07 0.00 1.68 0.00 0.00 54.58 56.25 2bx9 n ASN 52 Cb 0.40 -4.68 0.06 0.00 -1.54 0.00 0.00 39.78 34.02 2bx9 n ASN 52 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83