#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 3.46 0.04 -0.67 1.02 -1.26 -4.96 119.74 117.37 1brz s LYS 3 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 55.97 58.00 1brz s LYS 3 Cb 0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1brz s LYS 3 CO 0.00 -0.87 0.00 0.00 -0.92 0.00 0.00 175.35 173.56 1brz s LYS 5 N -2.00 3.56 -0.26 0.00 0.00 -1.26 0.32 119.74 120.10 1brz s LYS 5 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 55.97 55.82 1brz s LYS 5 Cb 0.00 -3.06 0.15 0.00 0.00 0.00 0.00 37.83 34.91 1brz s LYS 5 CO 0.00 0.64 0.45 0.15 0.00 0.00 0.00 175.35 176.59 1brz s LYS 6 N -1.87 0.41 0.32 1.78 1.02 0.66 -4.94 119.74 117.13 1brz s LYS 6 Ca 0.29 0.69 -0.29 0.00 0.02 0.00 0.00 55.97 56.68 1brz s LYS 6 Cb -0.13 -0.14 -0.11 0.00 -0.52 0.00 0.00 37.83 36.93 1brz s LYS 6 CO 0.17 -0.62 1.53 0.14 -0.92 0.00 0.00 175.35 175.65 1brz s VAL 7 N 2.64 2.15 -0.34 3.17 -7.23 -1.26 -0.92 120.40 118.62 1brz s VAL 7 Ca 0.15 0.14 -0.19 0.00 -1.81 0.00 0.00 61.98 60.27 1brz s VAL 7 Cb -0.15 -3.09 -0.19 0.00 0.56 0.00 0.00 36.38 33.51 1brz s VAL 7 CO -0.17 0.03 1.63 0.00 -0.31 0.00 0.00 175.10 176.28 1brz n TYR 8 N 1.52 0.71 0.00 2.82 4.19 0.31 -4.85 117.16 121.87 1brz n TYR 8 Ca 0.05 -1.07 0.00 0.00 3.31 0.00 0.00 57.90 60.19 1brz n TYR 8 Cb 0.39 -1.11 0.00 0.00 0.49 0.00 0.00 39.34 39.10 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 6.57 0.00 0.00 2.98 4.71 -1.26 -1.61 120.64 132.03 1brz n GLU 9 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1brz n GLU 9 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.72 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1brz n ASN 10 N 0.00 0.00 -0.61 1.62 5.03 -1.26 -4.79 115.26 115.25 1brz n ASN 10 Ca 0.00 0.89 0.00 0.00 0.87 0.00 0.00 54.58 56.34 1brz n ASN 10 Cb 0.00 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1brz n TYR 11 N -2.10 0.00 -0.19 3.10 9.36 -0.63 -4.73 117.16 121.97 1brz n TYR 11 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1brz n TYR 11 Cb 0.00 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.72 1brz n TYR 11 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1brz h PRO 12 N 0.04 -0.14 0.00 2.98 0.11 -1.87 -3.44 132.00 129.68 1brz h PRO 12 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1brz h PRO 12 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1brz h PRO 12 CO 0.00 -0.10 0.00 0.28 -0.21 0.00 0.00 178.00 177.97 1brz n VAL 13 N -5.43 0.00 -3.30 3.15 0.31 -1.26 -4.86 118.33 106.93 1brz n VAL 13 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 1brz n VAL 13 Cb 0.35 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.26 0.00 4.52 3.41 -1.26 -4.22 113.62 115.81 1brz n SER 14 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1brz n SER 14 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1brz n SER 14 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1brz n LYS 15 N -1.56 0.00 -0.20 4.33 3.00 -1.26 -5.03 118.16 117.44 1brz n LYS 15 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1brz n LYS 15 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.12 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1brz n GLN 17 N 0.00 2.76 0.00 0.00 1.13 -1.26 -4.78 117.38 115.23 1brz n GLN 17 Ca -0.01 -3.44 0.00 0.00 -1.94 0.00 0.00 57.00 51.61 1brz n GLN 17 Cb 0.17 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.24 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 -0.74 0.00 -2.30 1.08 4.77 -1.26 -5.09 117.00 113.46 1brz n LEU 18 Ca 0.58 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 1brz n LEU 18 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1brz n LEU 18 CO 0.65 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 177.23 1brz n ALA 19 N -3.00 -2.31 0.00 -1.18 0.00 -1.26 -4.92 120.51 107.84 1brz n ALA 19 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1brz n ALA 19 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.38 0.00 0.00 0.00 5.15 -1.26 -4.72 115.26 114.05 1brz n ASN 20 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1brz n ASN 20 Cb 0.60 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1brz n ASN 20 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1brz n GLN 21 N -2.25 0.00 0.03 1.20 -0.06 -1.26 0.08 117.38 115.12 1brz n GLN 21 Ca 0.00 0.29 0.02 0.00 -2.00 0.00 0.00 57.00 55.32 1brz n GLN 21 Cb 0.00 -0.99 0.37 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 h ASN 23 N 0.45 -0.63 -0.94 0.00 -1.24 -1.71 0.07 115.58 111.58 1brz h ASN 23 Ca 0.11 0.06 0.12 0.00 0.71 0.00 0.00 56.30 57.29 1brz h ASN 23 Cb 0.19 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.38 1brz h ASN 23 CO -0.00 -0.27 0.60 0.10 -1.29 0.00 0.00 177.43 176.57 1brz h TYR 24 N -0.39 1.00 0.17 0.67 -0.00 -0.30 -0.52 116.97 117.60 1brz h TYR 24 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1brz h TYR 24 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 36.73 36.74 1brz h TYR 24 CO -0.23 0.41 -0.35 -0.44 -0.00 0.00 0.00 178.16 177.56 1brz h ASP 25 N 0.88 -1.01 -0.97 0.10 3.32 -0.64 -1.23 116.42 116.88 1brz h ASP 25 Ca 0.45 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.71 1brz h ASP 25 Cb 0.51 0.36 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 1brz h ASP 25 CO -0.22 -0.40 0.62 0.00 -1.72 0.00 0.00 179.24 177.53 1brz n LYS 27 N -4.57 0.00 0.00 0.00 4.81 -0.23 -1.10 118.16 117.06 1brz n LYS 27 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1brz n LYS 27 Cb 0.33 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.82 0.00 0.20 3.14 7.94 0.15 -4.66 117.00 122.95 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 0.68 0.00 0.53 0.00 0.00 43.42 44.63 1brz n LEU 28 CO 0.00 0.00 0.93 0.44 -1.11 0.00 0.00 177.39 177.65 1brz h ASP 29 N 0.00 0.00 0.00 1.96 5.19 0.73 -3.19 116.42 121.11 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 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.41 1brz n LYS 30 N -2.56 0.00 -3.37 3.56 5.02 -1.22 -4.98 118.16 114.61 1brz n LYS 30 Ca 0.00 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1brz n LYS 30 Cb 0.17 -0.39 0.06 0.00 -0.02 0.00 0.00 35.03 34.86 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 -2.40 -1.75 2.13 8.25 -1.08 -5.01 115.22 115.36 1brz n HIS 31 Ca 0.00 0.82 -0.03 0.00 -0.26 0.00 0.00 57.72 58.25 1brz n HIS 31 Cb 0.26 -4.48 0.02 0.00 1.12 0.00 0.00 29.99 26.90 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 -4.46 -0.06 0.02 -1.41 0.00 -0.26 -4.94 120.51 109.40 1brz n ALA 32 Ca -0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1brz n ALA 32 Cb 0.56 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1brz n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1brz h ARG 33 N 0.00 0.27 0.00 0.00 2.43 0.33 -3.42 114.38 113.99 1brz h ARG 33 Ca -0.04 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1brz h ARG 33 Cb 0.13 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1brz h ARG 33 CO 0.03 1.17 0.00 -1.13 -1.51 0.00 0.00 179.97 178.54 1brz n SER 34 N -3.46 0.28 0.00 -3.80 3.41 -0.81 -4.85 113.62 104.39 1brz n SER 34 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1brz n SER 34 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 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 1.79 3.71 5.00 0.00 -1.25 0.62 105.19 115.06 1brz n GLY 35 Ca 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.52 1brz n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1brz s GLU 36 N -1.81 0.47 0.19 1.61 1.03 -0.15 -4.34 118.70 115.70 1brz s GLU 36 Ca 0.00 -0.27 -0.16 0.00 0.03 0.00 0.00 54.97 54.57 1brz s GLU 36 Cb 0.00 0.15 -0.08 0.00 -0.80 0.00 0.00 34.13 33.41 1brz s GLU 36 CO 0.00 -0.22 0.62 0.00 -1.33 0.00 0.00 175.26 174.33 1brz s PHE 38 N -1.55 0.01 0.43 0.00 0.08 -0.21 -4.88 117.98 111.84 1brz s PHE 38 Ca 0.41 -0.06 -0.20 0.00 0.12 0.00 0.00 56.93 57.20 1brz s PHE 38 Cb -0.15 -0.03 -0.11 0.00 -0.57 0.00 0.00 43.02 42.17 1brz s PHE 38 CO 0.20 -0.29 0.93 0.71 -0.10 0.00 0.00 175.22 176.68 1brz s TYR 39 N -1.29 3.33 0.50 0.36 1.51 -1.26 -0.16 117.35 120.34 1brz s TYR 39 Ca -0.14 1.56 0.07 0.00 -1.01 0.00 0.00 57.07 57.55 1brz s TYR 39 Cb -0.07 -2.81 0.09 0.00 -0.11 0.00 0.00 41.96 39.05 1brz s TYR 39 CO 0.02 -0.12 0.70 -0.40 -1.11 0.00 0.00 175.55 174.64 1brz n ASP 40 N -0.71 1.71 0.07 2.29 5.68 0.00 -4.93 116.55 120.67 1brz n ASP 40 Ca 0.07 -2.26 0.06 0.00 -0.50 0.00 0.00 54.79 52.16 1brz n ASP 40 Cb 0.54 -0.38 0.30 0.00 -1.14 0.00 0.00 41.12 40.44 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1brz n GLU 41 N -2.13 0.07 0.00 0.11 4.07 -1.26 -3.67 120.64 117.84 1brz n GLU 41 Ca 0.14 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 1brz n GLU 41 Cb 0.51 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1brz n LYS 42 N -1.84 0.00 0.00 5.31 5.02 -1.26 -5.04 118.16 120.35 1brz n LYS 42 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1brz n LYS 42 Cb 0.07 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1brz n LYS 42 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1brz n ARG 43 N -1.55 0.00 -3.55 1.97 1.85 -1.24 -5.16 116.66 108.98 1brz n ARG 43 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1brz n ARG 43 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1brz s ASN 44 N 0.00 6.50 0.30 2.89 0.02 -1.26 -4.79 114.94 118.60 1brz s ASN 44 Ca 0.00 0.66 -0.07 0.00 -1.02 0.00 0.00 52.86 52.44 1brz s ASN 44 Cb 0.00 -2.12 -0.06 0.00 0.02 0.00 0.00 41.25 39.09 1brz s ASN 44 CO 0.00 -0.04 0.59 -0.76 0.02 0.00 0.00 177.10 176.91 1brz s LEU 45 N -2.98 4.04 -0.07 0.60 1.02 -1.26 -0.82 118.68 119.21 1brz s LEU 45 Ca 0.43 0.82 -0.04 0.00 0.02 0.00 0.00 54.13 55.35 1brz s LEU 45 Cb -0.11 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.49 1brz s LEU 45 CO 0.26 -0.21 0.17 -1.10 0.02 0.00 0.00 176.35 175.49 1brz s GLN 46 N -3.48 0.15 -0.59 1.70 1.11 0.78 -4.82 119.66 114.51 1brz s GLN 46 Ca 0.46 0.37 -0.27 0.00 0.01 0.00 0.00 55.36 55.93 1brz s GLN 46 Cb -0.11 -0.09 0.03 0.00 -1.01 0.00 0.00 33.01 31.83 1brz s GLN 46 CO 0.29 -0.13 1.15 0.00 0.01 0.00 0.00 175.29 176.61 1brz s ILE 48 N 4.80 4.96 -0.27 0.00 1.01 0.12 -0.53 121.20 131.29 1brz s ILE 48 Ca 0.40 1.24 -0.18 0.00 0.00 0.00 0.00 60.65 62.11 1brz s ILE 48 Cb -0.09 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1brz s ILE 48 CO 0.23 0.02 0.51 0.00 0.00 0.00 0.00 174.94 175.70 1brz s ASP 50 N 1.58 6.99 -0.28 0.00 -1.08 0.20 -0.24 116.67 123.85 1brz s ASP 50 Ca 0.21 1.34 0.21 0.00 -0.52 0.00 0.00 52.55 53.79 1brz s ASP 50 Cb -0.16 -2.39 0.50 0.00 -1.46 0.00 0.00 42.92 39.41 1brz s ASP 50 CO 0.10 0.03 1.08 -1.22 0.52 0.00 0.00 175.17 175.68 1brz n TYR 51 N 0.67 1.33 0.00 -5.34 4.02 0.96 0.97 117.16 119.78 1brz n TYR 51 Ca -0.03 -2.29 0.00 0.00 -0.01 0.00 0.00 57.90 55.58 1brz n TYR 51 Cb 0.51 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 -0.57 0.00 0.00 0.00 2.13 -1.26 -5.02 120.64 115.92 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1brz n GLU 53 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38