#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz n LYS 3 N 0.00 -2.53 -2.13 0.11 5.02 -1.26 -4.96 118.16 112.42 1brz n LYS 3 Ca 0.00 1.99 -0.03 0.00 -2.02 0.00 0.00 58.31 58.25 1brz n LYS 3 Cb 0.00 -2.98 0.07 0.00 -0.02 0.00 0.00 35.03 32.10 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz s LYS 5 N 0.09 0.31 -0.17 0.00 0.00 -1.26 0.16 119.74 118.87 1brz s LYS 5 Ca 0.06 0.78 -0.14 0.00 0.00 0.00 0.00 55.97 56.67 1brz s LYS 5 Cb 0.30 0.02 0.05 0.00 0.00 0.00 0.00 37.83 38.20 1brz s LYS 5 CO -0.09 -0.19 0.45 -1.59 0.00 0.00 0.00 175.35 173.93 1brz s LYS 6 N 1.72 0.50 0.54 1.78 -2.85 -0.55 -4.95 119.74 115.94 1brz s LYS 6 Ca -0.07 0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 55.37 1brz s LYS 6 Cb -0.10 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.81 1brz s LYS 6 CO -0.11 -0.09 1.33 0.14 0.10 0.00 0.00 175.35 176.72 1brz s VAL 7 N 0.57 2.19 -0.43 1.79 -7.23 -1.26 -0.98 120.40 115.04 1brz s VAL 7 Ca -0.03 0.14 0.26 0.00 -1.81 0.00 0.00 61.98 60.54 1brz s VAL 7 Cb -0.04 -3.07 0.29 0.00 0.56 0.00 0.00 36.38 34.12 1brz s VAL 7 CO -0.03 -0.00 1.77 0.22 -0.31 0.00 0.00 175.10 176.74 1brz h TYR 8 N 1.46 0.00 0.00 2.82 3.20 -1.29 -3.46 116.97 119.70 1brz h TYR 8 Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1brz h TYR 8 Cb 1.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1brz h TYR 8 CO 0.46 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 177.37 1brz n GLU 9 N -2.48 0.00 -1.66 1.82 1.02 -1.26 -4.75 120.64 113.34 1brz n GLU 9 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1brz n GLU 9 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1brz n ASN 10 N -0.69 0.00 -4.68 1.62 2.85 -1.26 -4.69 115.26 108.41 1brz n ASN 10 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1brz n ASN 10 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brz n TYR 11 N -0.64 2.53 -1.36 1.20 4.19 -1.26 -4.73 117.16 117.09 1brz n TYR 11 Ca 0.00 -0.21 -0.15 0.00 3.31 0.00 0.00 57.90 60.85 1brz n TYR 11 Cb 0.00 -2.75 -0.15 0.00 0.49 0.00 0.00 39.34 36.93 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1brz n PRO 12 N 6.48 0.03 -1.53 2.98 -0.02 -1.26 -4.70 135.00 136.97 1brz n PRO 12 Ca 0.19 -0.08 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1brz n PRO 12 Cb 0.37 -1.20 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz n VAL 13 N 5.45 -0.04 0.00 -1.45 0.31 -1.26 -3.88 118.33 117.46 1brz n VAL 13 Ca 0.47 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1brz n VAL 13 Cb 0.27 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 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 14.16 0.00 -4.55 4.52 3.41 -1.26 -5.08 113.62 124.82 1brz n SER 14 Ca 0.49 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.72 1brz n SER 14 Cb 0.36 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 2.56 -0.30 4.33 1.02 -1.25 -4.83 119.74 121.27 1brz s LYS 15 Ca 0.00 0.64 -0.10 0.00 0.02 0.00 0.00 55.97 56.52 1brz s LYS 15 Cb 0.00 -4.45 0.18 0.00 -0.52 0.00 0.00 37.83 33.04 1brz s LYS 15 CO 0.00 -2.85 1.00 0.00 -0.92 0.00 0.00 175.35 172.58 1brz n GLN 17 N 5.32 0.00 -3.60 0.00 6.02 -1.26 -5.03 117.38 118.83 1brz n GLN 17 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1brz n GLN 17 Cb 0.55 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.75 1brz n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1brz s LEU 18 N 0.00 -0.47 -0.03 1.08 1.43 -1.26 -5.03 118.68 114.40 1brz s LEU 18 Ca 0.00 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1brz s LEU 18 Cb 0.00 2.01 -0.01 0.00 0.03 0.00 0.00 46.19 48.22 1brz s LEU 18 CO 0.00 -0.29 0.85 0.00 0.23 0.00 0.00 176.35 177.13 1brz n ALA 19 N 1.49 1.19 -2.00 4.21 0.00 -1.26 -4.20 120.51 119.94 1brz n ALA 19 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1brz n ALA 19 Cb 0.57 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 4.03 0.00 0.00 0.00 4.05 -1.26 -4.75 115.26 117.33 1brz n ASN 20 Ca 0.02 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.05 1brz n ASN 20 Cb 0.02 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.03 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n GLN 21 N 0.00 0.00 0.31 1.20 3.00 -1.26 0.34 117.38 120.98 1brz n GLN 21 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1brz n GLN 21 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1brz h ASN 23 N -0.80 -1.32 -0.16 0.00 -0.00 0.56 0.24 115.58 114.11 1brz h ASN 23 Ca -0.07 0.12 0.05 0.00 -0.00 0.00 0.00 56.30 56.40 1brz h ASN 23 Cb 0.64 0.46 -0.07 0.00 -0.00 0.00 0.00 38.32 39.35 1brz h ASN 23 CO 0.09 -0.54 -0.30 0.22 -0.00 0.00 0.00 177.43 176.89 1brz h TYR 24 N -0.79 -0.82 0.05 0.67 3.20 -0.66 0.93 116.97 119.55 1brz h TYR 24 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1brz h TYR 24 Cb 0.73 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1brz h TYR 24 CO -0.33 -0.38 -0.19 -0.44 -1.64 0.00 0.00 178.16 175.18 1brz h ASP 25 N -0.35 -0.57 -0.86 -2.11 3.32 0.14 -1.89 116.42 114.10 1brz h ASP 25 Ca 0.11 0.06 0.22 0.00 0.02 0.00 0.00 57.03 57.43 1brz h ASP 25 Cb 0.52 0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.15 1brz h ASP 25 CO -0.36 -0.20 0.29 0.00 -1.72 0.00 0.00 179.24 177.25 1brz n LYS 27 N -5.14 0.00 0.00 0.00 4.81 0.31 -0.06 118.16 118.09 1brz n LYS 27 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1brz n LYS 27 Cb 0.63 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.62 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 -0.55 0.00 0.26 3.14 7.94 0.28 -4.62 117.00 123.45 1brz n LEU 28 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 1brz n LEU 28 Cb 0.00 0.00 0.63 0.00 0.53 0.00 0.00 43.42 44.58 1brz n LEU 28 CO 0.00 0.00 0.94 0.44 -1.11 0.00 0.00 177.39 177.66 1brz h ASP 29 N 0.00 0.00 0.00 1.96 5.19 0.78 -3.21 116.42 121.14 1brz h ASP 29 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1brz h ASP 29 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1brz h ASP 29 CO 0.00 0.07 0.00 1.17 -3.12 0.00 0.00 179.24 177.36 1brz n LYS 30 N -3.21 0.25 -2.61 3.56 3.00 -1.11 -4.97 118.16 113.07 1brz n LYS 30 Ca 0.00 -0.44 -0.21 0.00 -0.00 0.00 0.00 58.31 57.67 1brz n LYS 30 Cb 0.34 -0.60 0.01 0.00 0.00 0.00 0.00 35.03 34.78 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1brz n HIS 31 N -0.06 -1.33 -2.14 5.64 8.25 -0.89 -4.99 115.22 119.71 1brz n HIS 31 Ca 0.00 0.19 -0.21 0.00 -0.26 0.00 0.00 57.72 57.44 1brz n HIS 31 Cb 0.34 -4.12 0.13 0.00 1.12 0.00 0.00 29.99 27.47 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz n ALA 32 N -2.56 -0.52 -0.04 -1.41 0.00 0.92 -4.89 120.51 112.02 1brz n ALA 32 Ca -0.20 -1.47 0.03 0.00 0.00 0.00 0.00 53.44 51.81 1brz n ALA 32 Cb 0.66 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 20.05 1brz n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1brz n ARG 33 N -2.84 0.67 -0.93 0.00 5.12 0.15 -4.07 116.66 114.75 1brz n ARG 33 Ca 0.13 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1brz n ARG 33 Cb 0.46 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1brz n SER 34 N -2.48 0.00 -2.72 0.55 3.41 0.24 -4.82 113.62 107.80 1brz n SER 34 Ca -0.14 -0.53 0.03 0.00 -0.26 0.00 0.00 58.87 57.96 1brz n SER 34 Cb 0.79 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.75 1brz n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brz n GLY 35 N 0.00 0.24 3.63 5.00 0.00 -1.26 0.11 105.19 112.90 1brz n GLY 35 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 1brz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1brz s GLU 36 N -2.00 0.20 -0.53 1.61 2.56 0.15 -4.50 118.70 116.19 1brz s GLU 36 Ca 0.19 0.11 -0.22 0.00 0.00 0.00 0.00 54.97 55.04 1brz s GLU 36 Cb -0.00 0.09 0.05 0.00 2.00 0.00 0.00 34.13 36.27 1brz s GLU 36 CO -0.02 -0.05 0.82 0.00 -0.56 0.00 0.00 175.26 175.46 1brz s PHE 38 N 3.45 3.32 1.03 0.00 0.08 -0.36 -4.75 117.98 120.75 1brz s PHE 38 Ca 0.25 0.24 -0.15 0.00 0.12 0.00 0.00 56.93 57.38 1brz s PHE 38 Cb -0.15 -2.27 0.21 0.00 -0.57 0.00 0.00 43.02 40.23 1brz s PHE 38 CO 0.17 0.07 1.17 0.71 -0.10 0.00 0.00 175.22 177.23 1brz s TYR 39 N 1.04 1.61 -0.18 0.36 2.02 -1.26 -0.78 117.35 120.16 1brz s TYR 39 Ca 0.08 0.62 -0.32 0.00 -0.37 0.00 0.00 57.07 57.08 1brz s TYR 39 Cb -0.13 -3.57 0.14 0.00 -0.40 0.00 0.00 41.96 38.00 1brz s TYR 39 CO 0.04 -2.98 1.15 0.16 -1.57 0.00 0.00 175.55 172.36 1brz s ASP 40 N -4.13 -0.20 0.00 2.29 1.47 -1.26 -4.78 116.67 110.06 1brz s ASP 40 Ca 0.69 0.09 0.00 0.00 1.18 0.00 0.00 52.55 54.51 1brz s ASP 40 Cb -0.11 0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.66 1brz s ASP 40 CO 0.54 -0.27 0.00 -1.84 0.68 0.00 0.00 175.17 174.29 1brz n GLU 41 N 0.17 0.00 -1.61 2.11 0.28 -1.26 0.31 120.64 120.64 1brz n GLU 41 Ca -0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.61 1brz n GLU 41 Cb 0.59 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.51 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1brz n LYS 42 N 0.00 2.67 -3.16 3.44 4.81 -1.26 -4.92 118.16 119.74 1brz n LYS 42 Ca 0.00 -3.28 -0.06 0.00 -0.87 0.00 0.00 58.31 54.10 1brz n LYS 42 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 -0.59 -0.53 0.00 1.64 0.00 0.92 -4.78 116.66 113.32 1brz n ARG 43 Ca 0.57 -0.09 0.12 0.00 -0.00 0.00 0.00 57.85 58.44 1brz n ARG 43 Cb 0.44 -0.09 0.11 0.00 -0.00 0.00 0.00 32.46 32.92 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1brz n ASN 44 N 0.13 1.99 -2.69 2.89 5.03 -1.23 -4.83 115.26 116.55 1brz n ASN 44 Ca -0.04 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 53.92 1brz n ASN 44 Cb 0.11 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1brz n ASN 44 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1brz n LEU 45 N 0.11 -3.34 -4.82 3.41 -0.00 -1.24 -4.90 117.00 106.23 1brz n LEU 45 Ca 0.11 0.51 -0.38 0.00 -0.00 0.00 0.00 56.01 56.26 1brz n LEU 45 Cb 0.46 -1.30 -0.06 0.00 -0.00 0.00 0.00 43.42 42.52 1brz n LEU 45 CO 0.25 -1.63 0.07 -1.10 -0.00 0.00 0.00 177.39 174.98 1brz s GLN 46 N -0.52 3.94 -0.76 1.47 1.11 0.04 -4.72 119.66 120.23 1brz s GLN 46 Ca 0.00 0.33 -0.26 0.00 0.01 0.00 0.00 55.36 55.44 1brz s GLN 46 Cb 0.00 -3.26 0.02 0.00 -1.01 0.00 0.00 33.01 28.76 1brz s GLN 46 CO 0.00 0.61 1.48 0.00 0.01 0.00 0.00 175.29 177.39 1brz s ILE 48 N 6.68 4.70 -0.30 0.00 1.01 0.35 -0.70 121.20 132.94 1brz s ILE 48 Ca 0.46 0.98 -0.19 0.00 0.00 0.00 0.00 60.65 61.90 1brz s ILE 48 Cb -0.08 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1brz s ILE 48 CO 0.12 -0.45 0.58 0.00 0.00 0.00 0.00 174.94 175.20 1brz s ASP 50 N 1.63 6.44 0.00 0.00 -1.08 0.29 -1.49 116.67 122.47 1brz s ASP 50 Ca 0.23 0.51 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 1brz s ASP 50 Cb -0.15 -2.21 0.49 0.00 -1.46 0.00 0.00 42.92 39.59 1brz s ASP 50 CO 0.11 0.02 1.43 -1.22 0.52 0.00 0.00 175.17 176.03 1brz n TYR 51 N 3.99 0.42 0.00 -5.34 4.02 0.12 0.35 117.16 120.72 1brz n TYR 51 Ca -0.10 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1brz n TYR 51 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz n GLU 53 N -1.57 -1.54 0.00 0.00 0.00 -1.26 -4.82 120.64 111.44 1brz n GLU 53 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.68 1brz n GLU 53 Cb 0.00 -4.48 0.00 0.00 0.00 0.00 0.00 31.44 26.96 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79