#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 0.00 0.00 -1.24 0.00 -1.26 -5.07 118.16 110.59 1brz n LYS 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1brz n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1brz s LYS 5 N 0.00 0.25 -0.15 0.00 0.00 -1.26 -0.32 119.74 118.26 1brz s LYS 5 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 55.97 56.14 1brz s LYS 5 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 37.83 37.97 1brz s LYS 5 CO 0.00 -0.04 0.42 -1.59 0.00 0.00 0.00 175.35 174.14 1brz s LYS 6 N 0.21 0.51 0.78 1.78 -2.85 -0.43 -4.95 119.74 114.79 1brz s LYS 6 Ca -0.01 0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 55.36 1brz s LYS 6 Cb -0.02 0.25 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 1brz s LYS 6 CO -0.00 -0.07 1.22 1.33 0.10 0.00 0.00 175.35 177.93 1brz n VAL 7 N 2.73 2.53 0.39 1.79 0.24 -1.26 0.22 118.33 124.96 1brz n VAL 7 Ca -0.14 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1brz n VAL 7 Cb 0.57 -1.25 0.06 0.00 -1.47 0.00 0.00 33.84 31.74 1brz n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brz n TYR 8 N -3.08 0.59 -0.24 6.34 9.36 0.12 -4.71 117.16 125.54 1brz n TYR 8 Ca 0.14 0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1brz n TYR 8 Cb 0.50 -0.69 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 1brz n TYR 8 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1brz n GLU 9 N -2.27 0.00 0.00 2.98 0.28 -1.26 -4.81 120.64 115.56 1brz n GLU 9 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1brz n GLU 9 Cb 0.48 -0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.29 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 1.47 0.00 -3.95 -1.84 2.85 -1.26 -5.15 115.26 107.39 1brz n ASN 10 Ca 0.00 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 1brz n ASN 10 Cb 0.00 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.13 1brz n ASN 10 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1brz n TYR 11 N 0.00 -1.63 0.30 1.20 4.01 -1.26 -4.72 117.16 115.06 1brz n TYR 11 Ca 0.00 0.31 0.12 0.00 -0.16 0.00 0.00 57.90 58.16 1brz n TYR 11 Cb 0.00 -1.44 0.54 0.00 -0.31 0.00 0.00 39.34 38.13 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1brz n PRO 12 N -0.26 0.18 0.00 -0.72 -0.02 -1.26 -4.82 135.00 128.09 1brz n PRO 12 Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1brz n PRO 12 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1brz n PRO 12 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1brz n VAL 13 N -2.27 0.00 0.03 -1.45 3.14 -1.26 -4.92 118.33 111.61 1brz n VAL 13 Ca 0.01 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1brz n VAL 13 Cb 0.15 0.00 0.36 0.00 -1.06 0.00 0.00 33.84 33.30 1brz n VAL 13 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1brz h SER 14 N 0.02 0.41 -4.02 6.55 4.64 -1.88 -3.38 113.55 115.89 1brz h SER 14 Ca 0.00 -0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.76 1brz h SER 14 Cb 0.00 -0.11 0.07 0.00 -0.31 0.00 0.00 62.40 62.05 1brz h SER 14 CO 0.00 0.44 0.48 -0.54 -0.87 0.00 0.00 176.83 176.34 1brz s LYS 15 N -5.07 3.62 0.00 4.77 1.02 -1.26 -4.81 119.74 118.01 1brz s LYS 15 Ca -0.07 1.76 0.00 0.00 0.02 0.00 0.00 55.97 57.68 1brz s LYS 15 Cb 0.16 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1brz s LYS 15 CO 0.74 -0.66 0.00 0.00 -0.92 0.00 0.00 175.35 174.51 1brz n GLN 17 N -1.08 -2.36 0.00 0.00 6.02 -1.26 -3.95 117.38 114.74 1brz n GLN 17 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1brz n GLN 17 Cb 0.00 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.19 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1brz n LEU 18 N -2.74 0.00 -4.50 1.08 4.77 -1.26 -3.79 117.00 110.56 1brz n LEU 18 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1brz n LEU 18 Cb 0.59 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1brz n LEU 18 CO 0.14 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.26 1brz n ALA 19 N 7.40 0.23 -2.00 -1.18 0.00 -1.26 -4.17 120.51 119.53 1brz n ALA 19 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.39 1brz n ALA 19 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 17.95 0.00 -2.76 0.00 4.05 -1.25 -4.91 115.26 128.35 1brz n ASN 20 Ca 0.36 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.39 1brz n ASN 20 Cb 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 1brz n ASN 20 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1brz n GLN 21 N 0.00 0.00 0.00 1.20 -0.06 -1.25 -1.20 117.38 116.07 1brz n GLN 21 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1brz n GLN 21 Cb 0.00 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 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 0.00 -0.27 -0.19 0.00 -0.00 -1.56 0.20 115.58 113.77 1brz h ASN 23 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 56.30 56.34 1brz h ASN 23 Cb 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 1brz h ASN 23 CO 0.00 -0.17 0.05 0.22 -0.00 0.00 0.00 177.43 177.53 1brz h TYR 24 N -0.26 0.09 -0.10 0.67 3.20 -1.49 -0.15 116.97 118.92 1brz h TYR 24 Ca -0.01 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1brz h TYR 24 Cb 0.23 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1brz h TYR 24 CO -0.09 0.04 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.77 1brz h ASP 25 N 0.14 -0.80 -0.56 -2.11 5.19 -1.59 -0.78 116.42 115.90 1brz h ASP 25 Ca 0.08 0.12 0.09 0.00 -0.62 0.00 0.00 57.03 56.71 1brz h ASP 25 Cb 0.07 0.35 -0.07 0.00 0.18 0.00 0.00 39.33 39.85 1brz h ASP 25 CO -0.10 -0.31 0.16 0.00 -3.12 0.00 0.00 179.24 175.87 1brz n LYS 27 N -5.07 0.07 0.00 0.00 4.81 -0.09 0.02 118.16 117.90 1brz n LYS 27 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1brz n LYS 27 Cb 0.27 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.31 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 -0.21 0.00 -0.09 3.14 7.94 0.39 -4.58 117.00 123.60 1brz n LEU 28 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1brz n LEU 28 Cb 0.01 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.91 1brz n LEU 28 CO 0.00 0.00 0.65 0.44 -1.11 0.00 0.00 177.39 177.37 1brz h ASP 29 N 0.00 0.57 -0.02 1.96 5.19 0.72 -3.27 116.42 121.58 1brz h ASP 29 Ca 0.00 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1brz h ASP 29 Cb 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1brz h ASP 29 CO 0.00 0.87 -0.01 0.29 -3.12 0.00 0.00 179.24 177.27 1brz n LYS 30 N -4.44 1.06 -2.45 3.56 4.76 -1.19 -4.98 118.16 114.47 1brz n LYS 30 Ca -0.04 -1.35 -0.05 0.00 -2.87 0.00 0.00 58.31 54.00 1brz n LYS 30 Cb 0.37 -1.28 0.01 0.00 -1.84 0.00 0.00 35.03 32.29 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1brz n HIS 31 N 0.79 -0.44 -2.32 2.13 8.25 -1.11 -5.05 115.22 117.47 1brz n HIS 31 Ca 0.08 0.12 -0.26 0.00 -0.26 0.00 0.00 57.72 57.41 1brz n HIS 31 Cb 0.36 -1.76 0.13 0.00 1.12 0.00 0.00 29.99 29.85 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 -2.70 3.13 -1.21 -1.41 0.00 0.10 -4.89 121.76 114.78 1brz s ALA 32 Ca 0.07 -1.49 0.14 0.00 0.00 0.00 0.00 51.96 50.68 1brz s ALA 32 Cb -0.03 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1brz s ALA 32 CO 0.09 -1.81 0.76 0.54 0.00 0.00 0.00 175.76 175.33 1brz n ARG 33 N -3.18 1.90 -3.28 0.00 1.74 0.20 -4.18 116.66 109.86 1brz n ARG 33 Ca 0.15 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.58 1brz n ARG 33 Cb 0.60 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.31 0.00 -0.50 0.55 3.41 0.14 -4.92 113.62 111.99 1brz n SER 34 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1brz n SER 34 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.17 0.00 5.00 0.00 -1.26 0.15 105.19 110.25 1brz n GLY 35 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1brz n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1brz n GLU 36 N 0.00 0.00 -3.76 1.61 1.02 0.30 -4.74 120.64 115.07 1brz n GLU 36 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1brz n GLU 36 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1brz n GLU 36 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1brz s PHE 38 N 0.93 0.71 -0.27 0.00 0.08 0.16 -4.93 117.98 114.65 1brz s PHE 38 Ca -0.07 -1.01 -0.10 0.00 0.12 0.00 0.00 56.93 55.87 1brz s PHE 38 Cb -0.09 -0.14 -0.05 0.00 -0.57 0.00 0.00 43.02 42.18 1brz s PHE 38 CO -0.05 -0.83 0.17 0.71 -0.10 0.00 0.00 175.22 175.12 1brz s TYR 39 N -4.08 3.20 -0.14 0.36 1.51 -1.26 0.72 117.35 117.67 1brz s TYR 39 Ca 0.29 0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1brz s TYR 39 Cb 0.03 -2.36 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1brz s TYR 39 CO 0.10 -0.18 -0.18 0.16 -1.11 0.00 0.00 175.55 174.34 1brz s ASP 40 N 1.72 2.81 -0.08 2.29 -4.77 -1.26 -4.84 116.67 112.53 1brz s ASP 40 Ca 0.07 -0.53 -0.01 0.00 -3.30 0.00 0.00 52.55 48.78 1brz s ASP 40 Cb -0.16 -1.28 0.01 0.00 -1.09 0.00 0.00 42.92 40.40 1brz s ASP 40 CO 0.10 0.02 0.03 1.21 0.70 0.00 0.00 175.17 177.22 1brz n GLU 41 N 4.34 -1.07 0.00 2.11 2.13 -1.26 -4.14 120.64 122.75 1brz n GLU 41 Ca -0.19 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1brz n GLU 41 Cb 0.51 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.82 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1brz n LYS 42 N -0.52 0.00 -0.88 5.31 5.02 -1.26 -4.99 118.16 120.84 1brz n LYS 42 Ca 0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1brz n LYS 42 Cb 0.04 -0.12 -0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1brz n ARG 43 N 0.00 -2.00 0.00 1.97 5.12 -1.26 -4.87 116.66 115.62 1brz n ARG 43 Ca 0.00 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1brz n ARG 43 Cb 0.09 -4.70 0.00 0.00 -1.16 0.00 0.00 32.46 26.69 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1brz n ASN 44 N -0.52 0.00 -3.29 0.55 4.13 -1.26 -5.00 115.26 109.86 1brz n ASN 44 Ca -0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 1brz n ASN 44 Cb 0.44 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.63 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 -0.77 0.36 3.41 1.43 -1.26 -4.43 118.68 117.42 1brz s LEU 45 Ca 0.00 -0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1brz s LEU 45 Cb 0.00 1.17 -0.05 0.00 0.03 0.00 0.00 46.19 47.34 1brz s LEU 45 CO 0.00 -0.29 0.66 -1.58 0.23 0.00 0.00 176.35 175.37 1brz s GLN 46 N 2.09 3.65 -0.30 1.70 0.74 0.22 -4.52 119.66 123.24 1brz s GLN 46 Ca 0.13 0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.61 1brz s GLN 46 Cb -0.11 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.48 1brz s GLN 46 CO -0.17 0.06 0.11 0.00 -0.55 0.00 0.00 175.29 174.73 1brz s ILE 48 N 1.55 5.02 -0.38 0.00 1.01 0.43 0.11 121.20 128.95 1brz s ILE 48 Ca 0.03 1.23 -0.14 0.00 0.00 0.00 0.00 60.65 61.78 1brz s ILE 48 Cb -0.17 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1brz s ILE 48 CO 0.04 0.35 0.27 0.00 0.00 0.00 0.00 174.94 175.59 1brz s ASP 50 N 1.69 6.74 -0.04 0.00 -1.08 0.40 -1.32 116.67 123.07 1brz s ASP 50 Ca 0.05 0.88 0.07 0.00 -0.52 0.00 0.00 52.55 53.03 1brz s ASP 50 Cb -0.18 -2.22 -0.10 0.00 -1.46 0.00 0.00 42.92 38.96 1brz s ASP 50 CO 0.10 0.32 0.09 -1.22 0.52 0.00 0.00 175.17 174.98 1brz n TYR 51 N 1.75 0.00 -3.07 -5.34 4.02 0.57 0.28 117.16 115.36 1brz n TYR 51 Ca -0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.57 1brz n TYR 51 Cb 0.53 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 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 0.77 1.41 0.00 0.00 2.13 -1.26 -4.91 120.64 118.79 1brz n GLU 53 Ca 0.19 -0.94 0.00 0.00 0.66 0.00 0.00 57.16 57.07 1brz n GLU 53 Cb 0.62 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38