#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brf s LYS 2 N 0.00 1.65 -0.02 0.00 1.02 -1.26 -1.56 119.74 119.57 1brf s LYS 2 Ca 0.00 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 54.98 1brf s LYS 2 Cb 0.00 -1.80 -0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1brf s LYS 2 CO 0.00 0.46 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.19 1brf s TRP 3 N -0.80 1.20 -0.09 3.18 0.52 -0.11 -0.58 118.94 122.27 1brf s TRP 3 Ca 0.10 -0.27 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 1brf s TRP 3 Cb -0.10 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.38 1brf s TRP 3 CO 0.02 -0.07 0.11 0.54 0.02 0.00 0.00 176.95 177.57 1brf s VAL 4 N -0.10 5.15 -0.33 4.03 0.11 -0.02 -0.20 120.40 129.04 1brf s VAL 4 Ca 0.01 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 1brf s VAL 4 Cb -0.07 -3.25 -0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1brf s VAL 4 CO 0.00 0.57 1.41 0.00 -3.33 0.00 0.00 175.10 173.75 1brf h LYS 6 N 10.18 0.00 0.00 0.00 1.57 -1.38 -1.01 116.57 125.94 1brf h LYS 6 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1brf h LYS 6 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1brf h LYS 6 CO 1.05 0.02 -0.03 0.82 -0.57 0.00 0.00 179.45 180.74 1brf h ILE 7 N 0.00 1.75 0.00 1.86 1.08 -1.91 -3.43 117.51 116.86 1brf h ILE 7 Ca -0.00 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.22 1brf h ILE 7 Cb 0.26 3.28 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1brf h ILE 7 CO 0.00 0.59 -0.23 0.00 -0.69 0.00 0.00 178.15 177.82 1brf n GLY 9 N 1.26 0.95 3.69 0.00 0.00 -0.39 -5.03 105.19 105.66 1brf n GLY 9 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1brf n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1brf n TYR 10 N -2.00 2.22 -3.71 1.61 9.36 -1.26 -4.71 117.16 118.67 1brf n TYR 10 Ca 0.00 0.55 -0.38 0.00 3.32 0.00 0.00 57.90 61.40 1brf n TYR 10 Cb 0.00 -2.41 -0.12 0.00 -0.63 0.00 0.00 39.34 36.18 1brf n TYR 10 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1brf s ILE 11 N -1.02 4.41 -0.46 2.97 -1.09 -1.26 -0.47 121.20 124.27 1brf s ILE 11 Ca 0.56 -0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.34 1brf s ILE 11 Cb -0.58 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1brf s ILE 11 CO 0.61 0.17 1.05 -0.47 -1.23 0.00 0.00 174.94 175.07 1brf s TYR 12 N 1.60 2.87 -0.36 3.97 5.04 0.72 -4.92 117.35 126.27 1brf s TYR 12 Ca 0.05 0.61 -0.13 0.00 -2.44 0.00 0.00 57.07 55.16 1brf s TYR 12 Cb -0.16 -4.23 -0.00 0.00 0.35 0.00 0.00 41.96 37.92 1brf s TYR 12 CO 0.05 -1.19 0.24 0.34 -1.34 0.00 0.00 175.55 173.65 1brf s ASP 13 N 2.35 5.98 0.47 4.32 -1.08 -1.26 -0.93 116.67 126.52 1brf s ASP 13 Ca 0.44 -0.62 0.17 0.00 -0.52 0.00 0.00 52.55 52.02 1brf s ASP 13 Cb -0.08 -2.12 1.15 0.00 -1.46 0.00 0.00 42.92 40.41 1brf s ASP 13 CO 0.29 -0.30 1.99 -0.33 0.52 0.00 0.00 175.17 177.34 1brf h GLU 14 N 8.51 0.26 0.00 4.34 5.08 -1.54 0.18 114.58 131.41 1brf h GLU 14 Ca -0.30 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1brf h GLU 14 Cb 1.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1brf h GLU 14 CO 0.66 0.17 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.16 1brf h ASP 15 N 0.27 0.00 0.55 1.42 3.32 -1.89 0.34 116.42 120.43 1brf h ASP 15 Ca 0.26 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 1brf h ASP 15 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1brf h ASP 15 CO -0.06 0.25 -1.61 0.00 -1.72 0.00 0.00 179.24 176.10 1brf n ALA 16 N -2.35 1.78 -0.91 3.45 0.00 -0.07 -4.00 120.51 118.42 1brf n ALA 16 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1brf n ALA 16 Cb 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1brf n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1brf n GLY 17 N 1.47 1.25 2.61 0.00 0.00 -0.50 -3.98 105.19 106.04 1brf n GLY 17 Ca -0.14 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1brf n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1brf n ASP 18 N -2.62 -1.96 0.17 1.61 2.03 -0.15 -4.69 116.55 110.93 1brf n ASP 18 Ca 0.00 -3.30 0.05 0.00 0.52 0.00 0.00 54.79 52.06 1brf n ASP 18 Cb 0.00 1.27 0.50 0.00 -0.72 0.00 0.00 41.12 42.17 1brf n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1brf h PRO 19 N 3.65 0.17 0.00 -0.67 0.13 -1.57 -0.76 132.00 132.94 1brf h PRO 19 Ca -0.08 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1brf h PRO 19 Cb 1.02 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1brf h PRO 19 CO 0.31 0.21 -0.02 -0.44 -0.23 0.00 0.00 178.00 177.83 1brf h ASP 20 N 0.17 0.00 -0.10 1.44 3.32 -1.96 -2.42 116.42 116.87 1brf h ASP 20 Ca 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1brf h ASP 20 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1brf h ASP 20 CO 0.01 0.02 -0.26 0.59 -1.72 0.00 0.00 179.24 177.88 1brf n ASN 21 N -3.22 2.19 0.00 6.45 3.02 -0.37 -4.98 115.26 118.34 1brf n ASN 21 Ca -0.02 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1brf n ASN 21 Cb 0.16 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1brf n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1brf n GLY 22 N -1.15 0.69 3.05 7.41 0.00 -0.91 -5.03 105.19 109.25 1brf n GLY 22 Ca 0.22 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1brf n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1brf s ILE 23 N -2.00 1.89 0.56 -0.61 -1.09 -0.72 -4.97 121.20 114.27 1brf s ILE 23 Ca 0.00 -1.14 -0.18 0.00 -2.23 0.00 0.00 60.65 57.10 1brf s ILE 23 Cb 0.00 -1.89 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1brf s ILE 23 CO 0.00 0.24 1.08 -0.94 -1.23 0.00 0.00 174.94 174.09 1brf s SER 24 N 1.29 5.82 0.32 3.58 1.04 -1.26 -0.98 113.70 123.51 1brf s SER 24 Ca -0.01 1.98 -0.29 0.00 0.48 0.00 0.00 55.95 58.11 1brf s SER 24 Cb -0.16 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.28 1brf s SER 24 CO -0.09 -1.14 1.37 -2.65 0.98 0.00 0.00 173.24 171.71 1brf n PRO 25 N -1.57 2.22 0.00 4.02 -0.02 -1.26 -2.53 135.00 135.86 1brf n PRO 25 Ca 0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1brf n PRO 25 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1brf n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brf n GLY 26 N 1.20 0.20 3.66 -1.23 0.00 0.12 -4.86 105.19 104.28 1brf n GLY 26 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1brf n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1brf s THR 27 N -2.00 4.16 0.58 2.61 2.01 -1.05 -4.93 115.64 117.01 1brf s THR 27 Ca 0.00 1.40 -0.18 0.00 0.31 0.00 0.00 61.69 63.22 1brf s THR 27 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1brf s THR 27 CO 0.00 -0.12 1.15 -0.54 -0.69 0.00 0.00 174.62 174.42 1brf s LYS 28 N 3.53 3.14 0.24 4.92 1.02 -1.26 -4.63 119.74 126.70 1brf s LYS 28 Ca 0.58 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 58.15 1brf s LYS 28 Cb -0.24 -1.97 0.40 0.00 -0.52 0.00 0.00 37.83 35.50 1brf s LYS 28 CO 0.17 -1.03 1.79 0.35 -0.92 0.00 0.00 175.35 175.72 1brf h PHE 29 N 0.89 0.76 -0.04 3.18 3.57 -1.94 0.44 116.94 123.79 1brf h PHE 29 Ca -0.50 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.05 1brf h PHE 29 Cb 1.27 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1brf h PHE 29 CO 0.51 0.27 0.03 0.93 -2.23 0.00 0.00 178.31 177.82 1brf h GLU 30 N 0.69 0.00 -0.00 1.11 3.07 -2.02 -1.73 114.58 115.70 1brf h GLU 30 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1brf h GLU 30 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1brf h GLU 30 CO -0.28 0.00 -0.34 0.39 -1.40 0.00 0.00 179.01 177.38 1brf n GLU 31 N -4.38 0.02 -1.75 2.33 -0.58 0.12 -4.85 120.64 111.54 1brf n GLU 31 Ca -0.02 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1brf n GLU 31 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.50 1brf n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1brf n LEU 32 N -1.49 4.42 -4.59 -4.62 4.77 -0.65 -4.91 117.00 109.94 1brf n LEU 32 Ca 0.06 1.21 -0.37 0.00 -0.03 0.00 0.00 56.01 56.88 1brf n LEU 32 Cb 0.34 -1.58 0.07 0.00 -2.33 0.00 0.00 43.42 39.91 1brf n LEU 32 CO 0.32 0.02 0.45 -2.65 -1.33 0.00 0.00 177.39 174.20 1brf n PRO 33 N 0.86 0.61 0.06 3.23 -0.02 -1.26 -4.84 135.00 133.63 1brf n PRO 33 Ca 0.04 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1brf n PRO 33 Cb 0.38 -2.12 0.62 0.00 -0.02 0.00 0.00 33.50 32.35 1brf n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1brf h ASP 34 N 0.00 0.11 -0.60 2.55 3.32 -1.93 -0.73 116.42 119.14 1brf h ASP 34 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1brf h ASP 34 Cb 1.35 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1brf h ASP 34 CO 0.48 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1brf n ASP 35 N -4.45 3.28 -4.76 6.45 5.75 -1.26 -4.68 116.55 116.87 1brf n ASP 35 Ca 0.06 -2.03 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 1brf n ASP 35 Cb 0.37 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1brf n ASP 35 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1brf s TRP 36 N -1.25 2.72 0.16 2.11 -0.00 -0.28 -5.02 118.94 117.38 1brf s TRP 36 Ca 0.40 1.42 0.05 0.00 -0.00 0.00 0.00 56.10 57.98 1brf s TRP 36 Cb 0.21 -3.64 -0.04 0.00 -0.00 0.00 0.00 33.47 30.00 1brf s TRP 36 CO 0.27 -2.15 -0.11 0.14 -0.00 0.00 0.00 176.95 175.10 1brf s VAL 37 N -1.32 1.27 0.10 5.86 -7.23 -1.26 -3.87 120.40 113.94 1brf s VAL 37 Ca 0.61 -2.09 -0.35 0.00 -1.81 0.00 0.00 61.98 58.34 1brf s VAL 37 Cb -0.37 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.53 1brf s VAL 37 CO 0.46 -0.70 1.56 0.00 -0.31 0.00 0.00 175.10 176.11 1brf n PRO 39 N 3.65 0.14 -0.08 0.00 -0.04 -1.26 -1.30 135.00 136.12 1brf n PRO 39 Ca 0.18 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.85 1brf n PRO 39 Cb 0.26 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 1brf n PRO 39 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1brf h ILE 40 N 0.00 0.31 0.00 0.52 1.08 -1.99 -3.44 117.51 113.99 1brf h ILE 40 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1brf h ILE 40 Cb 0.42 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1brf h ILE 40 CO 0.00 0.11 -0.44 0.00 -0.69 0.00 0.00 178.15 177.12 1brf n GLY 42 N 1.22 0.64 3.77 0.00 0.00 -0.42 -4.99 105.19 105.41 1brf n GLY 42 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1brf n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brf s ALA 43 N -2.26 3.28 1.01 4.61 0.00 -1.26 -4.50 121.76 122.65 1brf s ALA 43 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1brf s ALA 43 Cb 0.00 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.83 1brf s ALA 43 CO 0.00 -0.81 1.08 -1.25 0.00 0.00 0.00 175.76 174.78 1brf s PRO 44 N -2.21 0.29 0.48 0.00 0.04 -1.26 -0.74 135.00 131.60 1brf s PRO 44 Ca 0.56 0.79 0.20 0.00 0.04 0.00 0.00 61.00 62.59 1brf s PRO 44 Cb -0.38 -1.70 1.22 0.00 0.04 0.00 0.00 34.50 33.68 1brf s PRO 44 CO 0.49 -2.90 1.98 0.87 0.04 0.00 0.00 177.00 177.49 1brf h LYS 45 N -2.02 0.19 -0.11 4.56 1.57 -1.84 -1.27 116.57 117.66 1brf h LYS 45 Ca -0.54 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1brf h LYS 45 Cb 1.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1brf h LYS 45 CO 0.53 0.13 0.18 0.66 -0.57 0.00 0.00 179.45 180.38 1brf h SER 46 N 0.20 0.00 -0.48 0.86 4.64 -1.94 -2.27 113.55 114.55 1brf h SER 46 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1brf h SER 46 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1brf h SER 46 CO -0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.29 1brf n GLU 47 N -3.50 2.25 -4.00 4.77 -0.58 -0.48 -4.89 120.64 114.21 1brf n GLU 47 Ca -0.00 -1.79 -0.31 0.00 -0.42 0.00 0.00 57.16 54.64 1brf n GLU 47 Cb 0.28 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 1brf n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1brf s PHE 48 N -1.41 3.35 -0.02 -0.32 0.40 -0.86 -0.95 117.98 118.17 1brf s PHE 48 Ca 0.33 0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.88 1brf s PHE 48 Cb 0.18 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 1brf s PHE 48 CO 0.21 0.56 -0.13 -1.21 0.70 0.00 0.00 175.22 175.35 1brf s GLU 49 N -2.26 1.21 0.19 0.44 2.02 -0.47 -4.95 118.70 114.88 1brf s GLU 49 Ca 0.30 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 1brf s GLU 49 Cb -0.12 -1.13 -0.08 0.00 0.10 0.00 0.00 34.13 32.89 1brf s GLU 49 CO 0.22 0.24 1.21 0.21 0.02 0.00 0.00 175.26 177.16 1brf s LYS 50 N -0.13 4.48 -1.23 1.61 2.20 -1.26 -0.84 119.74 124.57 1brf s LYS 50 Ca 0.02 1.89 -0.14 0.00 -0.36 0.00 0.00 55.97 57.37 1brf s LYS 50 Cb -0.07 -3.23 0.15 0.00 -1.51 0.00 0.00 37.83 33.16 1brf s LYS 50 CO 0.00 -0.10 1.52 1.28 -0.36 0.00 0.00 175.35 177.69 1brf n LEU 51 N 2.46 5.21 -3.51 5.43 4.77 0.26 -4.85 117.00 126.77 1brf n LEU 51 Ca 0.04 -4.35 -0.11 0.00 -0.03 0.00 0.00 56.01 51.56 1brf n LEU 51 Cb 0.44 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.86 1brf n LEU 51 CO 0.56 0.63 0.33 -1.61 -1.33 0.00 0.00 177.39 175.96 1brf s GLU 52 N 2.10 1.24 0.00 3.23 2.02 -1.26 -4.75 118.70 121.28 1brf s GLU 52 Ca 0.45 -0.57 0.24 0.00 0.02 0.00 0.00 54.97 55.11 1brf s GLU 52 Cb -0.01 0.55 1.42 0.00 0.10 0.00 0.00 34.13 36.20 1brf s GLU 52 CO 0.02 -0.53 1.79 -0.40 0.02 0.00 0.00 175.26 176.16