#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rb9 s LYS 3 N 0.00 3.84 0.03 1.64 1.02 -1.26 -4.57 119.74 120.44 1rb9 s LYS 3 Ca 0.00 0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.47 1rb9 s LYS 3 Cb 0.00 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1rb9 s LYS 3 CO 0.00 0.14 -0.13 0.71 -0.92 0.00 0.00 175.35 175.15 1rb9 s TYR 4 N -2.08 1.13 -0.06 3.18 1.51 -0.96 -0.67 117.35 119.40 1rb9 s TYR 4 Ca 0.51 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1rb9 s TYR 4 Cb -0.10 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1rb9 s TYR 4 CO 0.24 0.02 -0.21 0.54 -1.11 0.00 0.00 175.55 175.02 1rb9 s VAL 5 N -0.77 2.42 -0.12 0.71 0.11 0.35 -0.13 120.40 122.97 1rb9 s VAL 5 Ca 0.01 -0.95 -0.29 0.00 -2.93 0.00 0.00 61.98 57.82 1rb9 s VAL 5 Cb -0.07 -1.91 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1rb9 s VAL 5 CO 0.01 0.57 1.32 0.00 -3.33 0.00 0.00 175.10 173.67 1rb9 n THR 7 N 5.22 0.01 -0.08 0.00 -2.24 -0.64 -0.82 114.28 115.73 1rb9 n THR 7 Ca 0.14 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1rb9 n THR 7 Cb 0.45 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1rb9 n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1rb9 h VAL 8 N 0.42 0.56 0.00 2.28 2.07 -1.91 -3.45 116.25 116.23 1rb9 h VAL 8 Ca 0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1rb9 h VAL 8 Cb 0.09 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1rb9 h VAL 8 CO 0.00 0.19 -0.20 0.00 0.02 0.00 0.00 177.57 177.58 1rb9 n GLY 10 N 1.30 0.75 3.76 0.00 0.00 0.00 -5.02 105.19 105.98 1rb9 n GLY 10 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rb9 n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rb9 n TYR 11 N -2.00 2.85 -3.94 1.61 9.36 -1.26 -4.63 117.16 119.15 1rb9 n TYR 11 Ca 0.00 0.43 -0.35 0.00 3.32 0.00 0.00 57.90 61.30 1rb9 n TYR 11 Cb 0.00 -2.52 -0.13 0.00 -0.63 0.00 0.00 39.34 36.06 1rb9 n TYR 11 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1rb9 s GLU 12 N -1.77 3.62 -0.15 2.98 2.12 -1.26 -0.57 118.70 123.66 1rb9 s GLU 12 Ca 0.56 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 1rb9 s GLU 12 Cb -0.50 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1rb9 s GLU 12 CO 0.61 -0.07 1.14 -0.47 -0.54 0.00 0.00 175.26 175.93 1rb9 s TYR 13 N 1.25 3.18 -0.31 5.30 5.04 0.81 -4.94 117.35 127.69 1rb9 s TYR 13 Ca 0.04 1.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 1rb9 s TYR 13 Cb -0.15 -3.36 0.06 0.00 0.35 0.00 0.00 41.96 38.86 1rb9 s TYR 13 CO 0.02 -1.01 0.00 0.34 -1.34 0.00 0.00 175.55 173.56 1rb9 s ASP 14 N 1.49 4.83 0.48 4.32 -1.08 -1.26 -2.26 116.67 123.18 1rb9 s ASP 14 Ca 0.51 -1.43 0.19 0.00 -0.52 0.00 0.00 52.55 51.30 1rb9 s ASP 14 Cb -0.20 -1.69 1.20 0.00 -1.46 0.00 0.00 42.92 40.77 1rb9 s ASP 14 CO 0.14 -0.28 1.99 1.55 0.52 0.00 0.00 175.17 179.09 1rb9 h PRO 15 N 7.93 0.21 0.00 4.34 0.13 -1.81 -0.59 132.00 142.22 1rb9 h PRO 15 Ca -0.19 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1rb9 h PRO 15 Cb 1.05 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1rb9 h PRO 15 CO 0.53 0.14 -0.18 0.00 -0.23 0.00 0.00 178.00 178.27 1rb9 h ALA 16 N 1.73 1.45 0.00 -0.56 0.00 -1.90 0.36 119.26 120.34 1rb9 h ALA 16 Ca 0.26 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 1rb9 h ALA 16 Cb 0.72 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1rb9 h ALA 16 CO -0.05 0.22 -1.97 0.39 0.00 0.00 0.00 179.25 177.85 1rb9 n GLU 17 N -3.96 0.66 0.00 0.00 -0.58 -0.36 -3.86 120.64 112.54 1rb9 n GLU 17 Ca -0.02 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1rb9 n GLU 17 Cb 0.26 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1rb9 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rb9 n GLY 18 N 1.61 0.72 2.62 0.62 0.00 -0.45 -3.99 105.19 106.31 1rb9 n GLY 18 Ca -0.22 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1rb9 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rb9 n ASP 19 N -2.25 -2.35 -0.37 1.61 2.03 -0.04 -4.71 116.55 110.47 1rb9 n ASP 19 Ca 0.00 -2.92 0.04 0.00 0.52 0.00 0.00 54.79 52.43 1rb9 n ASP 19 Cb 0.00 1.10 0.20 0.00 -0.72 0.00 0.00 41.12 41.70 1rb9 n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1rb9 h PRO 20 N 4.68 1.09 0.00 -0.67 0.11 -1.75 -1.19 132.00 134.27 1rb9 h PRO 20 Ca 0.03 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1rb9 h PRO 20 Cb 1.02 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1rb9 h PRO 20 CO 0.22 0.72 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 1rb9 n ASP 21 N -4.53 0.03 -0.82 -2.05 8.00 -1.26 -1.20 116.55 114.72 1rb9 n ASP 21 Ca 0.16 0.51 0.09 0.00 0.71 0.00 0.00 54.79 56.26 1rb9 n ASP 21 Cb 0.23 -0.51 0.25 0.00 -0.02 0.00 0.00 41.12 41.07 1rb9 n ASP 21 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rb9 n ASN 22 N -1.53 3.74 -0.26 -2.24 3.02 -0.50 -4.96 115.26 112.52 1rb9 n ASN 22 Ca 0.03 -3.01 -0.03 0.00 -0.03 0.00 0.00 54.58 51.55 1rb9 n ASN 22 Cb 0.16 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1rb9 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rb9 n GLY 23 N -0.58 0.35 3.08 7.41 0.00 -0.34 -5.02 105.19 110.09 1rb9 n GLY 23 Ca 0.21 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1rb9 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rb9 s VAL 24 N -2.12 2.40 0.61 1.61 1.01 -0.92 -5.01 120.40 117.98 1rb9 s VAL 24 Ca 0.00 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.09 1rb9 s VAL 24 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1rb9 s VAL 24 CO 0.00 -0.18 1.05 -1.59 0.00 0.00 0.00 175.10 174.38 1rb9 s LYS 25 N 1.09 3.29 0.31 2.72 -2.85 -1.26 -0.86 119.74 122.19 1rb9 s LYS 25 Ca -0.04 1.13 -0.28 0.00 -1.00 0.00 0.00 55.97 55.78 1rb9 s LYS 25 Cb -0.20 -2.03 -0.13 0.00 -2.06 0.00 0.00 37.83 33.41 1rb9 s LYS 25 CO -0.05 -0.82 1.14 -2.30 0.10 0.00 0.00 175.35 173.42 1rb9 n PRO 26 N -2.23 1.69 -0.09 1.78 -0.02 -1.26 -2.54 135.00 132.34 1rb9 n PRO 26 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1rb9 n PRO 26 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1rb9 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rb9 n GLY 27 N 1.07 0.51 3.68 -1.23 0.00 0.12 -4.89 105.19 104.45 1rb9 n GLY 27 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1rb9 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rb9 s THR 28 N -2.22 4.82 0.71 2.61 2.01 -1.05 -4.89 115.64 117.62 1rb9 s THR 28 Ca 0.00 1.88 -0.14 0.00 0.31 0.00 0.00 61.69 63.74 1rb9 s THR 28 Cb 0.00 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1rb9 s THR 28 CO 0.00 0.01 1.14 -0.55 -0.69 0.00 0.00 174.62 174.54 1rb9 s SER 29 N 1.11 4.62 0.26 3.53 0.15 -1.26 -4.45 113.70 117.66 1rb9 s SER 29 Ca 0.44 2.12 -0.02 0.00 0.70 0.00 0.00 55.95 59.20 1rb9 s SER 29 Cb -0.17 -2.56 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 1rb9 s SER 29 CO 0.15 -1.96 1.82 0.15 1.20 0.00 0.00 173.24 174.60 1rb9 h PHE 30 N -0.27 0.99 0.00 3.44 3.57 -1.96 -1.50 116.94 121.21 1rb9 h PHE 30 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1rb9 h PHE 30 Cb 1.26 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1rb9 h PHE 30 CO 0.52 0.40 0.00 -0.44 -2.23 0.00 0.00 178.31 176.56 1rb9 h ASP 31 N 0.89 0.00 -0.68 0.41 3.32 -1.96 -2.28 116.42 116.11 1rb9 h ASP 31 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1rb9 h ASP 31 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1rb9 h ASP 31 CO -0.26 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.73 1rb9 n ASP 32 N -2.99 4.64 -4.76 6.45 8.00 -0.57 -4.96 116.55 122.37 1rb9 n ASP 32 Ca -0.01 -2.35 -0.36 0.00 0.71 0.00 0.00 54.79 52.78 1rb9 n ASP 32 Cb 0.21 -0.57 0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1rb9 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rb9 s LEU 33 N -1.66 3.75 0.64 0.64 1.43 -0.86 -4.92 118.68 117.71 1rb9 s LEU 33 Ca 0.52 2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.85 1rb9 s LEU 33 Cb 0.32 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1rb9 s LEU 33 CO 0.27 -1.45 0.96 -2.65 0.23 0.00 0.00 176.35 173.70 1rb9 n PRO 34 N -1.32 0.76 0.15 1.29 -0.02 -1.26 -4.85 135.00 129.75 1rb9 n PRO 34 Ca 0.12 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1rb9 n PRO 34 Cb 0.49 -2.18 0.58 0.00 -0.02 0.00 0.00 33.50 32.37 1rb9 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rb9 h ALA 35 N 0.23 1.98 -0.46 3.55 0.00 -1.98 -1.46 119.26 121.11 1rb9 h ALA 35 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1rb9 h ALA 35 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rb9 h ALA 35 CO 0.49 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1rb9 n ASP 36 N -4.50 2.91 -4.77 0.00 5.75 -1.26 -4.95 116.55 109.73 1rb9 n ASP 36 Ca 0.01 -1.95 -0.40 0.00 -0.01 0.00 0.00 54.79 52.43 1rb9 n ASP 36 Cb 0.15 -0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 39.91 1rb9 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1rb9 s TRP 37 N -1.39 3.13 0.24 2.11 -0.00 -0.55 -5.03 118.94 117.45 1rb9 s TRP 37 Ca 0.37 1.47 0.05 0.00 -0.00 0.00 0.00 56.10 57.99 1rb9 s TRP 37 Cb 0.20 -3.60 -0.05 0.00 -0.00 0.00 0.00 33.47 30.01 1rb9 s TRP 37 CO 0.27 -1.63 -0.04 0.14 -0.00 0.00 0.00 176.95 175.69 1rb9 s VAL 38 N -1.16 1.33 0.09 5.86 -7.23 -1.26 -3.94 120.40 114.09 1rb9 s VAL 38 Ca 0.49 -2.08 -0.34 0.00 -1.81 0.00 0.00 61.98 58.23 1rb9 s VAL 38 Cb -0.38 -2.33 -0.13 0.00 0.56 0.00 0.00 36.38 34.09 1rb9 s VAL 38 CO 0.50 -0.36 1.65 0.00 -0.31 0.00 0.00 175.10 176.58 1rb9 h PRO 40 N 6.77 0.00 0.16 0.00 0.13 -1.96 0.25 132.00 137.34 1rb9 h PRO 40 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1rb9 h PRO 40 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1rb9 h PRO 40 CO 0.90 0.00 -1.75 0.28 -0.23 0.00 0.00 178.00 177.20 1rb9 h VAL 41 N 0.00 0.92 0.00 1.56 2.07 -2.00 -3.43 116.25 115.38 1rb9 h VAL 41 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1rb9 h VAL 41 Cb 0.65 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1rb9 h VAL 41 CO 0.00 0.84 -0.37 0.00 0.02 0.00 0.00 177.57 178.07 1rb9 n GLY 43 N 1.16 0.74 3.77 0.00 0.00 0.07 -4.99 105.19 105.93 1rb9 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1rb9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rb9 s ALA 44 N -2.94 2.95 0.81 4.61 0.00 -1.26 -4.48 121.76 121.46 1rb9 s ALA 44 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 1rb9 s ALA 44 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1rb9 s ALA 44 CO 0.00 -0.84 1.13 -1.25 0.00 0.00 0.00 175.76 174.80 1rb9 s PRO 45 N -2.71 1.98 0.40 0.00 0.04 -1.26 -1.06 135.00 132.39 1rb9 s PRO 45 Ca 0.65 0.34 0.08 0.00 0.04 0.00 0.00 61.00 62.11 1rb9 s PRO 45 Cb -0.32 -1.93 0.85 0.00 0.04 0.00 0.00 34.50 33.14 1rb9 s PRO 45 CO 0.39 -1.63 2.03 0.87 0.04 0.00 0.00 177.00 178.69 1rb9 h LYS 46 N -1.09 0.57 0.00 4.56 1.57 -1.94 -0.84 116.57 119.41 1rb9 h LYS 46 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1rb9 h LYS 46 Cb 1.30 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rb9 h LYS 46 CO 0.63 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.76 1rb9 n SER 47 N -4.47 0.00 -1.44 0.86 3.41 -1.26 -2.41 113.62 108.30 1rb9 n SER 47 Ca 0.06 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1rb9 n SER 47 Cb 0.14 -0.32 0.16 0.00 -0.26 0.00 0.00 64.21 63.92 1rb9 n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rb9 n GLU 48 N -1.32 2.21 -4.08 4.33 1.02 -0.32 -4.94 120.64 117.54 1rb9 n GLU 48 Ca 0.01 -3.37 -0.29 0.00 -0.02 0.00 0.00 57.16 53.50 1rb9 n GLU 48 Cb 0.02 -1.94 -0.06 0.00 -0.02 0.00 0.00 31.44 29.43 1rb9 n GLU 48 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1rb9 s PHE 49 N -3.37 3.13 0.11 -0.32 0.40 -1.01 -1.63 117.98 115.29 1rb9 s PHE 49 Ca 0.48 0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 1rb9 s PHE 49 Cb 0.42 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1rb9 s PHE 49 CO 0.00 0.51 -0.13 -1.83 0.70 0.00 0.00 175.22 174.48 1rb9 s GLU 50 N -2.59 0.95 0.32 0.44 -1.05 -0.36 -4.92 118.70 111.49 1rb9 s GLU 50 Ca 0.29 -1.19 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 1rb9 s GLU 50 Cb -0.11 -0.78 -0.11 0.00 -0.44 0.00 0.00 34.13 32.69 1rb9 s GLU 50 CO 0.22 0.14 1.48 0.00 0.95 0.00 0.00 175.26 178.06 1rb9 s ALA 51 N -2.16 3.62 0.00 -0.84 0.00 -1.26 -0.49 121.76 120.63 1rb9 s ALA 51 Ca 0.07 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1rb9 s ALA 51 Cb -0.05 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1rb9 s ALA 51 CO 0.02 -0.92 0.40 0.00 0.00 0.00 0.00 175.76 175.26