#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 -0.22 0.00 0.11 5.02 -1.26 -4.63 118.16 117.19 1brz n LYS 3 Ca 0.00 0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1brz n LYS 3 Cb 0.00 -0.26 0.09 0.00 -0.02 0.00 0.00 35.03 34.84 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 -2.00 0.14 -0.20 0.00 2.47 -1.26 -1.33 119.74 117.55 1brz s LYS 5 Ca 0.04 0.17 -0.04 0.00 -1.56 0.00 0.00 55.97 54.58 1brz s LYS 5 Cb 0.02 -0.45 0.09 0.00 -1.46 0.00 0.00 37.83 36.04 1brz s LYS 5 CO 0.03 -0.19 0.21 0.15 0.16 0.00 0.00 175.35 175.71 1brz s LYS 6 N 1.32 0.18 0.40 4.03 1.02 -0.32 -5.00 119.74 121.36 1brz s LYS 6 Ca -0.06 0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 1brz s LYS 6 Cb -0.13 -1.25 -0.09 0.00 -0.52 0.00 0.00 37.83 35.85 1brz s LYS 6 CO -0.03 -0.66 1.20 0.14 -0.92 0.00 0.00 175.35 175.09 1brz s VAL 7 N 2.32 3.02 -1.26 3.17 -7.23 -1.26 -1.40 120.40 117.75 1brz s VAL 7 Ca 0.07 0.88 -0.10 0.00 -1.81 0.00 0.00 61.98 61.02 1brz s VAL 7 Cb -0.16 -3.50 0.17 0.00 0.56 0.00 0.00 36.38 33.45 1brz s VAL 7 CO -0.12 0.10 1.79 0.00 -0.31 0.00 0.00 175.10 176.56 1brz n TYR 8 N 0.14 3.25 -0.76 2.82 4.19 -0.23 -4.90 117.16 121.68 1brz n TYR 8 Ca 0.04 -2.88 -0.41 0.00 3.31 0.00 0.00 57.90 57.96 1brz n TYR 8 Cb 0.46 -1.96 -0.11 0.00 0.49 0.00 0.00 39.34 38.22 1brz n TYR 8 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1brz n GLU 9 N 4.06 0.29 0.00 2.98 0.28 -1.26 -3.25 120.64 123.74 1brz n GLU 9 Ca 0.39 -1.25 0.00 0.00 -0.16 0.00 0.00 57.16 56.14 1brz n GLU 9 Cb 0.37 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.49 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1brz n ASN 10 N 10.05 0.00 0.00 -1.84 4.05 -1.26 -5.14 115.26 121.12 1brz n ASN 10 Ca 0.47 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.50 1brz n ASN 10 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1brz n TYR 11 N 0.00 0.00 -1.51 1.20 9.36 -1.20 -4.22 117.16 120.78 1brz n TYR 11 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1brz n TYR 11 Cb 0.00 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.57 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1brz n PRO 12 N 0.00 0.20 -1.51 2.98 -0.02 -1.26 -4.71 135.00 130.68 1brz n PRO 12 Ca 0.00 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.31 1brz n PRO 12 Cb 0.00 -1.85 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 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 7.40 0.00 -3.65 -1.45 0.31 -1.26 -4.74 118.33 114.95 1brz n VAL 13 Ca 0.61 -0.42 -0.04 0.00 -0.01 0.00 0.00 64.34 64.48 1brz n VAL 13 Cb 0.15 -1.43 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1brz n VAL 13 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1brz s SER 14 N 7.43 -0.14 0.00 4.52 1.04 -1.26 -4.96 113.70 120.32 1brz s SER 14 Ca 0.94 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1brz s SER 14 Cb -0.27 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1brz s SER 14 CO 0.20 -0.05 0.00 0.29 0.98 0.00 0.00 173.24 174.66 1brz n LYS 15 N 1.81 0.00 0.00 4.02 5.02 -1.26 -4.90 118.16 122.85 1brz n LYS 15 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1brz n LYS 15 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz n GLN 17 N 0.37 3.66 -3.59 0.00 3.00 -1.26 -4.89 117.38 114.68 1brz n GLN 17 Ca 0.00 -2.31 -0.11 0.00 -0.01 0.00 0.00 57.00 54.57 1brz n GLN 17 Cb 0.11 -1.97 -0.06 0.00 0.00 0.00 0.00 30.24 28.33 1brz n GLN 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1brz s LEU 18 N -1.89 -0.45 0.00 1.08 1.43 -1.21 -5.17 118.68 112.47 1brz s LEU 18 Ca 0.40 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.93 1brz s LEU 18 Cb 0.29 1.99 0.29 0.00 0.03 0.00 0.00 46.19 48.79 1brz s LEU 18 CO 0.14 -0.33 0.65 0.00 0.23 0.00 0.00 176.35 177.04 1brz n ALA 19 N 1.22 -3.95 0.00 4.21 0.00 -1.26 -3.95 120.51 116.78 1brz n ALA 19 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1brz n ALA 19 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.15 0.00 -4.20 0.00 5.15 -1.26 -4.81 115.26 105.99 1brz n ASN 20 Ca 0.10 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.91 1brz n ASN 20 Cb 0.45 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.61 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1brz n GLN 21 N 0.00 0.05 0.00 1.20 3.00 -1.25 -0.03 117.38 120.35 1brz n GLN 21 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 1brz n GLN 21 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 30.24 27.35 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 0.00 -0.80 0.13 0.00 -1.24 -1.36 0.17 115.58 112.47 1brz h ASN 23 Ca 0.00 0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.12 1brz h ASN 23 Cb 0.00 0.30 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1brz h ASN 23 CO 0.00 -0.38 -0.23 0.22 -1.29 0.00 0.00 177.43 175.76 1brz h TYR 24 N -0.51 -0.60 -0.60 0.67 3.20 -0.80 0.30 116.97 118.63 1brz h TYR 24 Ca 0.03 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.02 1brz h TYR 24 Cb 0.53 0.25 -0.12 0.00 1.54 0.00 0.00 36.73 38.93 1brz h TYR 24 CO -0.25 -0.32 -0.24 -0.44 -1.64 0.00 0.00 178.16 175.27 1brz h ASP 25 N -0.43 -0.84 -0.67 -2.11 5.19 -1.54 0.61 116.42 116.62 1brz h ASP 25 Ca 0.02 0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1brz h ASP 25 Cb 0.44 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 1brz h ASP 25 CO -0.12 -0.26 0.43 0.00 -3.12 0.00 0.00 179.24 176.18 1brz n LYS 27 N -4.65 0.00 0.00 0.00 3.00 0.20 0.07 118.16 116.78 1brz n LYS 27 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1brz n LYS 27 Cb 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1brz n LEU 28 N -0.74 0.00 0.00 3.14 7.94 0.47 -4.66 117.00 123.15 1brz n LEU 28 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1brz n LEU 28 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1brz n LEU 28 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 1brz n ASP 29 N 0.00 0.00 -1.14 1.96 9.92 -0.88 0.35 116.55 126.76 1brz n ASP 29 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 1brz n ASP 29 Cb 0.00 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 40.72 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1brz n LYS 30 N 0.00 2.80 -3.22 -1.24 4.01 -1.26 -4.92 118.16 114.33 1brz n LYS 30 Ca 0.00 -1.87 -0.15 0.00 -0.51 0.00 0.00 58.31 55.78 1brz n LYS 30 Cb 0.00 -1.68 0.08 0.00 -0.51 0.00 0.00 35.03 32.92 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1brz n HIS 31 N 0.66 -1.88 -2.19 2.13 8.25 1.08 -5.03 115.22 118.23 1brz n HIS 31 Ca 0.17 0.80 -0.08 0.00 -0.26 0.00 0.00 57.72 58.35 1brz n HIS 31 Cb 0.63 -4.63 0.05 0.00 1.12 0.00 0.00 29.99 27.16 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 -3.69 -0.03 -0.03 -1.41 0.00 0.11 -4.91 120.51 110.55 1brz n ALA 32 Ca -0.24 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 1brz n ALA 32 Cb 0.64 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.68 2.55 -1.05 0.00 1.74 -0.02 -4.31 116.66 113.88 1brz n ARG 33 Ca 0.06 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1brz n ARG 33 Cb 0.20 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1brz n SER 34 N -2.30 0.00 0.00 0.55 3.41 -0.49 -4.68 113.62 110.12 1brz n SER 34 Ca -0.10 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1brz n SER 34 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.46 3.86 5.00 0.00 -1.25 0.80 105.19 114.05 1brz n GLY 35 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 0.34 0.04 1.61 2.12 0.17 -4.50 118.70 116.49 1brz s GLU 36 Ca 0.00 -0.21 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 1brz s GLU 36 Cb 0.00 0.10 -0.06 0.00 0.26 0.00 0.00 34.13 34.43 1brz s GLU 36 CO 0.00 -0.16 0.62 0.00 -0.54 0.00 0.00 175.26 175.18 1brz s PHE 38 N -0.55 -0.14 0.89 0.00 0.08 -0.27 -4.92 117.98 113.06 1brz s PHE 38 Ca 0.31 0.43 -0.12 0.00 0.12 0.00 0.00 56.93 57.68 1brz s PHE 38 Cb -0.19 -0.08 0.12 0.00 -0.57 0.00 0.00 43.02 42.30 1brz s PHE 38 CO 0.19 -0.15 1.10 0.71 -0.10 0.00 0.00 175.22 176.97 1brz s TYR 39 N 1.03 2.47 0.33 0.36 1.51 -1.26 -0.57 117.35 121.23 1brz s TYR 39 Ca -0.08 1.09 0.07 0.00 -1.01 0.00 0.00 57.07 57.14 1brz s TYR 39 Cb -0.10 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 1brz s TYR 39 CO -0.05 -2.30 0.28 0.16 -1.11 0.00 0.00 175.55 172.53 1brz s ASP 40 N -3.70 1.68 0.30 2.29 1.47 -0.84 -4.86 116.67 113.02 1brz s ASP 40 Ca 0.63 -1.76 0.22 0.00 1.18 0.00 0.00 52.55 52.82 1brz s ASP 40 Cb -0.16 0.56 1.12 0.00 -0.34 0.00 0.00 42.92 44.09 1brz s ASP 40 CO 0.55 -1.06 1.68 -0.62 0.68 0.00 0.00 175.17 176.40 1brz n GLU 41 N -0.62 0.16 -0.18 2.11 1.02 -1.26 -0.81 120.64 121.05 1brz n GLU 41 Ca 0.08 0.58 0.11 0.00 -0.02 0.00 0.00 57.16 57.90 1brz n GLU 41 Cb 0.62 -1.94 0.27 0.00 -0.02 0.00 0.00 31.44 30.37 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1brz n LYS 42 N -2.26 2.25 -3.16 3.49 4.01 -1.26 -4.95 118.16 116.28 1brz n LYS 42 Ca -0.00 -1.90 -0.14 0.00 -0.51 0.00 0.00 58.31 55.75 1brz n LYS 42 Cb 0.09 -1.46 0.07 0.00 -0.51 0.00 0.00 35.03 33.22 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1brz n ARG 43 N 1.10 -4.34 -3.79 1.97 0.63 0.00 -5.04 116.66 107.20 1brz n ARG 43 Ca 0.18 0.74 -0.13 0.00 -0.92 0.00 0.00 57.85 57.73 1brz n ARG 43 Cb 0.50 -5.37 -0.13 0.00 0.45 0.00 0.00 32.46 27.91 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1brz s ASN 44 N -3.87 -0.14 -0.53 6.15 0.01 -1.26 -4.91 114.94 110.40 1brz s ASN 44 Ca 0.15 0.31 -0.20 0.00 -0.71 0.00 0.00 52.86 52.40 1brz s ASN 44 Cb -0.02 0.26 0.06 0.00 0.41 0.00 0.00 41.25 41.96 1brz s ASN 44 CO 0.64 -0.09 0.72 -1.48 -1.51 0.00 0.00 177.10 175.37 1brz s LEU 45 N 0.57 4.77 -0.03 0.60 2.34 -1.26 -1.98 118.68 123.69 1brz s LEU 45 Ca -0.04 -0.82 -0.15 0.00 0.06 0.00 0.00 54.13 53.17 1brz s LEU 45 Cb -0.06 -2.52 -0.05 0.00 -0.56 0.00 0.00 46.19 43.00 1brz s LEU 45 CO -0.03 -1.02 0.41 -1.58 -1.06 0.00 0.00 176.35 173.07 1brz s GLN 46 N 3.02 4.00 -0.60 1.48 2.00 0.27 -4.68 119.66 125.14 1brz s GLN 46 Ca 0.19 0.39 -0.26 0.00 -2.00 0.00 0.00 55.36 53.67 1brz s GLN 46 Cb -0.18 -3.27 0.04 0.00 0.80 0.00 0.00 33.01 30.40 1brz s GLN 46 CO 0.13 0.58 1.11 0.00 -0.50 0.00 0.00 175.29 176.62 1brz s ILE 48 N 4.72 4.97 -0.36 0.00 1.01 0.18 -1.06 121.20 130.66 1brz s ILE 48 Ca 0.36 1.39 -0.15 0.00 0.00 0.00 0.00 60.65 62.25 1brz s ILE 48 Cb -0.10 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1brz s ILE 48 CO 0.21 0.10 0.33 0.00 0.00 0.00 0.00 174.94 175.57 1brz s ASP 50 N 1.73 6.42 0.00 0.00 -1.08 0.24 -1.18 116.67 122.80 1brz s ASP 50 Ca 0.09 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1brz s ASP 50 Cb -0.17 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1brz s ASP 50 CO 0.11 -0.17 0.00 -1.22 0.52 0.00 0.00 175.17 174.42 1brz n TYR 51 N -0.92 0.00 -1.12 -5.34 4.02 -0.44 -0.84 117.16 112.51 1brz n TYR 51 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1brz n TYR 51 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 0.00 -1.68 -0.49 0.00 0.00 -1.26 -5.10 120.64 112.12 1brz n GLU 53 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1brz n GLU 53 Cb 0.26 -3.54 0.00 0.00 0.00 0.00 0.00 31.44 28.17 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79