#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz s LYS 3 N 0.00 0.55 0.00 0.11 2.20 -1.26 -5.01 119.74 116.34 1brz s LYS 3 Ca 0.00 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 1brz s LYS 3 Cb 0.00 0.79 0.00 0.00 -1.51 0.00 0.00 37.83 37.11 1brz s LYS 3 CO 0.00 -0.20 0.21 0.00 -0.36 0.00 0.00 175.35 175.00 1brz s LYS 5 N 0.00 0.10 -0.17 0.00 2.36 -1.26 -0.74 119.74 120.02 1brz s LYS 5 Ca 0.00 0.43 -0.13 0.00 -2.55 0.00 0.00 55.97 53.72 1brz s LYS 5 Cb 0.00 -0.64 0.05 0.00 -1.05 0.00 0.00 37.83 36.19 1brz s LYS 5 CO 0.00 -0.44 0.45 -1.59 1.55 0.00 0.00 175.35 175.32 1brz s LYS 6 N 2.31 0.48 0.59 4.03 -2.85 -0.63 -5.01 119.74 118.67 1brz s LYS 6 Ca 0.04 0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 55.53 1brz s LYS 6 Cb -0.13 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.75 1brz s LYS 6 CO -0.08 -0.10 1.17 0.14 0.10 0.00 0.00 175.35 176.57 1brz s VAL 7 N 0.71 2.87 -0.34 1.79 -7.23 -1.26 -1.24 120.40 115.71 1brz s VAL 7 Ca -0.04 0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 60.59 1brz s VAL 7 Cb -0.05 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 1brz s VAL 7 CO -0.05 -0.14 1.47 0.00 -0.31 0.00 0.00 175.10 176.07 1brz n TYR 8 N -1.65 0.56 0.00 2.82 4.19 0.12 -4.81 117.16 118.38 1brz n TYR 8 Ca 0.12 -1.05 0.00 0.00 3.31 0.00 0.00 57.90 60.28 1brz n TYR 8 Cb 0.50 -1.03 0.00 0.00 0.49 0.00 0.00 39.34 39.31 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1brz n GLU 9 N 5.16 0.00 0.00 2.98 1.02 -1.26 0.05 120.64 128.59 1brz n GLU 9 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1brz n GLU 9 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1brz n ASN 10 N 0.00 0.00 -4.58 1.62 6.94 -1.26 -4.83 115.26 113.15 1brz n ASN 10 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 1brz n ASN 10 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1brz n TYR 11 N -0.22 0.93 0.00 -2.53 9.36 0.11 -4.93 117.16 119.87 1brz n TYR 11 Ca 0.00 0.60 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1brz n TYR 11 Cb 0.00 -2.19 0.00 0.00 -0.63 0.00 0.00 39.34 36.52 1brz n TYR 11 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1brz n PRO 12 N 0.36 0.00 0.00 2.98 -0.04 -1.26 -4.94 135.00 132.09 1brz n PRO 12 Ca 0.10 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1brz n PRO 12 Cb 0.37 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1brz n VAL 13 N -0.14 0.00 0.31 0.52 0.31 -1.26 -4.98 118.33 113.10 1brz n VAL 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1brz n VAL 13 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1brz n SER 14 N 0.00 0.65 -3.14 4.52 3.41 -1.26 -4.01 113.62 113.79 1brz n SER 14 Ca 0.00 -0.63 0.05 0.00 -0.26 0.00 0.00 58.87 58.03 1brz n SER 14 Cb 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1brz n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1brz s LYS 15 N -0.09 0.23 0.00 4.33 -0.14 -1.26 -5.03 119.74 117.77 1brz s LYS 15 Ca 0.00 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1brz s LYS 15 Cb 0.00 0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 1brz s LYS 15 CO 0.00 -0.42 0.37 0.00 -0.76 0.00 0.00 175.35 174.54 1brz n GLN 17 N 0.00 0.81 0.00 0.00 1.13 -1.26 -4.59 117.38 113.47 1brz n GLN 17 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1brz n GLN 17 Cb 0.38 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.44 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1brz n LEU 18 N -0.07 0.00 0.00 1.08 4.77 -1.26 -5.19 117.00 116.33 1brz n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1brz n LEU 18 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1brz n LEU 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1brz n ALA 19 N -3.00 0.00 -0.36 -1.18 0.00 -1.26 -4.61 120.51 110.10 1brz n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1brz n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1brz n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1brz n ASN 20 N 0.00 0.00 0.00 0.00 2.85 -1.26 -4.43 115.26 112.42 1brz n ASN 20 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1brz n ASN 20 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1brz n ASN 20 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1brz n GLN 21 N 0.00 0.00 -0.35 1.20 -0.06 -1.26 0.25 117.38 117.16 1brz n GLN 21 Ca 0.00 0.31 0.01 0.00 -2.00 0.00 0.00 57.00 55.32 1brz n GLN 21 Cb 0.00 -0.77 0.15 0.00 -4.06 0.00 0.00 30.24 25.56 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1brz n ASN 23 N -4.53 0.00 -0.34 0.00 4.05 -0.67 -1.05 115.26 112.72 1brz n ASN 23 Ca 0.14 0.65 0.17 0.00 0.45 0.00 0.00 54.58 55.99 1brz n ASN 23 Cb 0.15 -0.15 0.38 0.00 1.23 0.00 0.00 39.78 41.39 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1brz h TYR 24 N 0.00 0.96 0.08 1.20 3.20 0.33 0.14 116.97 122.88 1brz h TYR 24 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.00 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 1brz h TYR 24 CO 0.01 0.04 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.05 1brz h ASP 25 N 0.55 -0.21 -0.98 -2.11 5.19 -0.85 -2.51 116.42 115.50 1brz h ASP 25 Ca 0.64 0.02 0.12 0.00 -0.62 0.00 0.00 57.03 57.19 1brz h ASP 25 Cb 1.22 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.72 1brz h ASP 25 CO -0.49 -0.10 0.62 0.00 -3.12 0.00 0.00 179.24 176.15 1brz n LYS 27 N -4.60 0.04 0.00 0.00 4.81 0.45 -1.02 118.16 117.83 1brz n LYS 27 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1brz n LYS 27 Cb 0.38 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1brz n LEU 28 N -0.68 0.00 0.10 3.14 7.94 0.61 -4.31 117.00 123.79 1brz n LEU 28 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 1brz n LEU 28 Cb 0.00 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.38 1brz n LEU 28 CO 0.00 0.00 0.80 0.47 -1.11 0.00 0.00 177.39 177.55 1brz n ASP 29 N -1.04 0.46 0.00 1.96 8.00 1.13 -2.72 116.55 124.34 1brz n ASP 29 Ca 0.00 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1brz n ASP 29 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1brz n LYS 30 N -2.03 0.00 -3.56 -1.24 5.02 -1.19 -4.98 118.16 110.18 1brz n LYS 30 Ca 0.02 -0.41 -0.19 0.00 -2.02 0.00 0.00 58.31 55.70 1brz n LYS 30 Cb 0.17 -0.47 0.06 0.00 -0.02 0.00 0.00 35.03 34.77 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1brz n HIS 31 N 0.00 -2.06 -2.24 2.13 8.25 -1.10 -4.99 115.22 115.21 1brz n HIS 31 Ca 0.00 0.88 -0.26 0.00 -0.26 0.00 0.00 57.72 58.08 1brz n HIS 31 Cb 0.47 -4.67 0.11 0.00 1.12 0.00 0.00 29.99 27.02 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz s ALA 32 N -3.52 3.08 -0.22 -1.41 0.00 -0.19 -4.91 121.76 114.60 1brz s ALA 32 Ca 0.03 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 1brz s ALA 32 Cb -0.01 -2.49 -0.15 0.00 0.00 0.00 0.00 23.12 20.48 1brz s ALA 32 CO 0.77 -1.60 -0.02 -2.13 0.00 0.00 0.00 175.76 172.79 1brz n ARG 33 N -3.09 0.56 -3.64 0.00 3.00 0.67 -4.63 116.66 109.54 1brz n ARG 33 Ca 0.11 0.46 -0.05 0.00 -0.00 0.00 0.00 57.85 58.38 1brz n ARG 33 Cb 0.60 -1.65 -0.06 0.00 0.00 0.00 0.00 32.46 31.35 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1brz s SER 34 N -6.93 -0.97 0.25 6.15 1.04 -0.64 -4.96 113.70 107.64 1brz s SER 34 Ca -0.31 1.47 0.03 0.00 0.48 0.00 0.00 55.95 57.61 1brz s SER 34 Cb 0.08 1.67 -0.05 0.00 0.10 0.00 0.00 66.02 67.82 1brz s SER 34 CO 0.52 -0.22 0.04 -0.83 0.98 0.00 0.00 173.24 173.73 1brz s GLY 35 N 2.04 1.66 -0.20 7.32 0.00 -1.26 -0.25 107.32 116.62 1brz s GLY 35 Ca -0.08 -1.83 -0.36 0.00 0.00 0.00 0.00 44.72 42.45 1brz s GLY 35 CO -0.19 -1.65 1.28 1.85 0.00 0.00 0.00 173.10 174.38 1brz s GLU 36 N -3.93 0.22 -0.10 2.90 2.12 -0.20 -4.52 118.70 115.19 1brz s GLU 36 Ca 0.32 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 55.34 1brz s GLU 36 Cb 0.07 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1brz s GLU 36 CO 0.11 -0.10 0.70 0.00 -0.54 0.00 0.00 175.26 175.43 1brz s PHE 38 N 1.11 1.73 0.12 0.00 0.08 -0.48 -4.92 117.98 115.61 1brz s PHE 38 Ca 0.36 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1brz s PHE 38 Cb -0.17 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1brz s PHE 38 CO 0.16 0.16 0.28 0.71 -0.10 0.00 0.00 175.22 176.43 1brz s TYR 39 N -1.08 3.50 0.55 0.36 1.51 -1.26 -0.76 117.35 120.16 1brz s TYR 39 Ca 0.06 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 1brz s TYR 39 Cb -0.10 -1.75 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1brz s TYR 39 CO 0.03 0.52 0.76 0.16 -1.11 0.00 0.00 175.55 175.91 1brz s ASP 40 N -2.89 5.19 0.00 2.29 1.47 -1.24 -4.93 116.67 116.57 1brz s ASP 40 Ca 0.36 -0.31 0.03 0.00 1.18 0.00 0.00 52.55 53.80 1brz s ASP 40 Cb -0.12 -0.49 0.15 0.00 -0.34 0.00 0.00 42.92 42.12 1brz s ASP 40 CO 0.28 -1.19 0.73 1.21 0.68 0.00 0.00 175.17 176.88 1brz n GLU 41 N -2.28 0.07 0.00 2.11 4.07 -1.26 -3.44 120.64 119.91 1brz n GLU 41 Ca 0.10 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 1brz n GLU 41 Cb 0.60 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1brz n LYS 42 N -1.10 0.00 0.00 5.31 4.81 -1.26 -5.05 118.16 120.87 1brz n LYS 42 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1brz n LYS 42 Cb 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.00 1brz n LYS 42 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1brz n ARG 43 N -1.37 0.00 -0.39 1.64 -4.01 -1.22 -5.17 116.66 106.14 1brz n ARG 43 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1brz n ARG 43 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1brz n ASN 44 N 0.00 0.00 -3.82 2.89 4.13 -1.26 -4.91 115.26 112.28 1brz n ASN 44 Ca 0.00 -0.51 -0.12 0.00 1.68 0.00 0.00 54.58 55.63 1brz n ASN 44 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1brz n ASN 44 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1brz s LEU 45 N 0.00 1.28 -0.14 3.41 1.43 -1.26 -3.61 118.68 119.79 1brz s LEU 45 Ca 0.00 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1brz s LEU 45 Cb 0.00 0.83 0.06 0.00 0.03 0.00 0.00 46.19 47.11 1brz s LEU 45 CO 0.00 -0.30 0.32 -1.10 0.23 0.00 0.00 176.35 175.50 1brz s GLN 46 N -0.94 0.25 -0.83 1.70 -0.21 0.06 -4.96 119.66 114.74 1brz s GLN 46 Ca -0.10 0.74 -0.25 0.00 0.02 0.00 0.00 55.36 55.76 1brz s GLN 46 Cb -0.05 0.00 0.02 0.00 1.00 0.00 0.00 33.01 33.98 1brz s GLN 46 CO 0.02 -0.21 1.47 0.00 -2.12 0.00 0.00 175.29 174.45 1brz s ILE 48 N 6.33 4.58 -0.34 0.00 -1.09 0.35 0.11 121.20 131.13 1brz s ILE 48 Ca 0.46 1.24 -0.09 0.00 -2.23 0.00 0.00 60.65 60.03 1brz s ILE 48 Cb -0.06 -4.33 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1brz s ILE 48 CO 0.06 -0.52 0.16 0.00 -1.23 0.00 0.00 174.94 173.41 1brz s ASP 50 N 1.53 6.40 0.00 0.00 1.01 0.65 -1.60 116.67 124.66 1brz s ASP 50 Ca 0.02 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.69 1brz s ASP 50 Cb -0.19 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1brz s ASP 50 CO 0.05 -0.02 0.00 -1.22 0.21 0.00 0.00 175.17 174.19 1brz n TYR 51 N -0.54 0.00 0.00 4.23 4.02 0.08 -0.24 117.16 124.71 1brz n TYR 51 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1brz n TYR 51 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz s GLU 53 N 1.36 0.29 0.00 0.00 2.12 -1.26 -4.89 118.70 116.33 1brz s GLU 53 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1brz s GLU 53 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1brz s GLU 53 CO 0.00 -0.39 0.00 0.66 -0.54 0.00 0.00 175.26 174.99