#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 3.09 0.00 0.11 2.47 -1.26 -4.92 119.74 119.23 1brz s LYS 3 Ca 0.00 -0.89 0.25 0.00 -1.56 0.00 0.00 55.97 53.78 1brz s LYS 3 Cb 0.00 -3.62 0.49 0.00 -1.46 0.00 0.00 37.83 33.24 1brz s LYS 3 CO 0.00 -0.54 1.43 0.00 0.16 0.00 0.00 175.35 176.39 1brz s LYS 5 N -2.05 3.12 -0.02 0.00 3.01 -1.26 -0.59 119.74 121.96 1brz s LYS 5 Ca 0.31 -0.81 0.03 0.00 -1.01 0.00 0.00 55.97 54.48 1brz s LYS 5 Cb 0.20 -2.47 -0.00 0.00 -1.01 0.00 0.00 37.83 34.55 1brz s LYS 5 CO 0.34 0.07 -0.09 0.15 0.51 0.00 0.00 175.35 176.32 1brz s LYS 6 N 0.65 0.86 0.55 1.68 -0.14 -0.56 -4.89 119.74 117.89 1brz s LYS 6 Ca -0.10 -0.32 -0.21 0.00 -1.36 0.00 0.00 55.97 53.97 1brz s LYS 6 Cb -0.16 -0.82 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 1brz s LYS 6 CO 0.02 0.16 1.33 0.14 -0.76 0.00 0.00 175.35 176.25 1brz s VAL 7 N -0.03 2.16 -0.43 3.17 -7.23 -1.26 -1.07 120.40 115.72 1brz s VAL 7 Ca 0.01 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 1brz s VAL 7 Cb -0.06 -3.06 0.24 0.00 0.56 0.00 0.00 36.38 34.06 1brz s VAL 7 CO -0.00 -0.01 2.15 0.00 -0.31 0.00 0.00 175.10 176.94 1brz n TYR 8 N -1.12 1.93 -1.30 2.82 9.36 0.29 -4.86 117.16 124.28 1brz n TYR 8 Ca 0.11 -2.19 0.00 0.00 3.32 0.00 0.00 57.90 59.14 1brz n TYR 8 Cb 0.46 -1.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.03 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 0.16 0.00 0.00 2.98 0.28 -1.26 -4.53 120.64 118.27 1brz n GLU 9 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1brz n GLU 9 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1brz n ASN 10 N 0.76 0.00 -3.35 -1.84 5.03 -1.26 -5.15 115.26 109.45 1brz n ASN 10 Ca 0.00 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.48 1brz n ASN 10 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1brz s TYR 11 N -1.54 -0.04 -0.34 3.10 5.04 -1.26 -4.85 117.35 117.45 1brz s TYR 11 Ca 0.00 0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.66 1brz s TYR 11 Cb 0.00 0.03 -0.10 0.00 0.35 0.00 0.00 41.96 42.23 1brz s TYR 11 CO 0.00 -0.02 1.40 -2.30 -1.34 0.00 0.00 175.55 173.29 1brz n PRO 12 N 3.98 0.02 -1.54 4.97 -0.02 -1.26 -4.72 135.00 136.43 1brz n PRO 12 Ca -0.10 -0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 60.97 1brz n PRO 12 Cb 0.56 -1.25 -0.08 0.00 -0.02 0.00 0.00 33.50 32.71 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 5.15 -0.04 0.00 -1.45 0.31 -1.26 -3.74 118.33 117.30 1brz n VAL 13 Ca 0.21 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1brz n VAL 13 Cb 0.41 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 15.07 -0.04 0.25 4.52 3.41 -1.26 -4.94 113.62 130.63 1brz n SER 14 Ca 0.47 0.02 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1brz n SER 14 Cb 0.40 0.17 0.65 0.00 -0.26 0.00 0.00 64.21 65.17 1brz n SER 14 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1brz h LYS 15 N 0.00 0.00 -5.66 4.33 6.56 -1.98 -3.38 116.57 116.43 1brz h LYS 15 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 1brz h LYS 15 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 1brz h LYS 15 CO 0.00 0.15 0.65 0.00 -2.06 0.00 0.00 179.45 178.18 1brz n GLN 17 N 8.86 0.00 0.00 0.00 6.02 -1.26 -5.02 117.38 125.99 1brz n GLN 17 Ca 0.40 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1brz n GLN 17 Cb 0.47 0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1brz n GLN 17 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1brz n LEU 18 N 0.01 0.00 0.00 1.08 -0.00 -1.26 -5.16 117.00 111.66 1brz n LEU 18 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1brz n LEU 18 Cb 0.55 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1brz n LEU 18 CO -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 177.39 177.36 1brz n ALA 19 N -0.92 0.00 -0.23 1.47 0.00 -1.26 -4.86 120.51 114.71 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 4.05 -1.26 -4.17 115.26 113.88 1brz n ASN 20 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1brz n ASN 20 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 -0.12 1.20 1.13 -1.26 0.23 117.38 118.57 1brz n GLN 21 Ca 0.00 0.68 -0.08 0.00 -1.94 0.00 0.00 57.00 55.66 1brz n GLN 21 Cb 0.00 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz n ASN 23 N -4.85 0.00 -0.29 0.00 4.05 -0.71 -0.98 115.26 112.48 1brz n ASN 23 Ca 0.00 0.69 0.11 0.00 0.45 0.00 0.00 54.58 55.84 1brz n ASN 23 Cb 0.04 -0.19 0.27 0.00 1.23 0.00 0.00 39.78 41.13 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 0.58 0.04 1.20 3.20 0.29 0.01 116.97 122.29 1brz h TYR 24 Ca 0.00 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1brz h TYR 24 Cb 0.00 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 1brz h TYR 24 CO -0.04 -0.04 -0.51 -0.44 -1.64 0.00 0.00 178.16 175.49 1brz h ASP 25 N 0.39 -1.56 -0.98 -2.11 5.19 -0.86 0.37 116.42 116.87 1brz h ASP 25 Ca 0.52 0.17 0.09 0.00 -0.62 0.00 0.00 57.03 57.19 1brz h ASP 25 Cb 0.95 0.58 -0.07 0.00 0.18 0.00 0.00 39.33 40.97 1brz h ASP 25 CO -0.51 -0.51 0.63 0.00 -3.12 0.00 0.00 179.24 175.72 1brz n LYS 27 N -4.55 0.00 0.00 0.00 3.00 0.09 -1.29 118.16 115.41 1brz n LYS 27 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1brz n LYS 27 Cb 0.28 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 -0.60 0.00 0.03 3.14 0.00 0.39 -4.73 117.00 115.23 1brz n LEU 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 1brz n LEU 28 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1brz n LEU 28 CO 0.00 0.00 0.56 0.44 0.00 0.00 0.00 177.39 178.39 1brz h ASP 29 N 0.00 -0.10 -0.02 1.96 5.19 0.76 -3.34 116.42 120.86 1brz h ASP 29 Ca 0.00 -0.41 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1brz h ASP 29 Cb 0.00 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1brz h ASP 29 CO 0.00 0.38 0.00 0.29 -3.12 0.00 0.00 179.24 176.79 1brz n LYS 30 N -4.92 0.68 -3.19 3.56 4.76 -1.18 -4.99 118.16 112.89 1brz n LYS 30 Ca -0.08 -1.22 -0.15 0.00 -2.87 0.00 0.00 58.31 53.98 1brz n LYS 30 Cb 0.26 -1.23 0.05 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.66 -1.85 -2.17 2.13 8.25 -0.94 -5.02 115.22 116.28 1brz n HIS 31 Ca 0.07 0.67 -0.23 0.00 -0.26 0.00 0.00 57.72 57.96 1brz n HIS 31 Cb 0.30 -3.74 0.15 0.00 1.12 0.00 0.00 29.99 27.81 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 -4.00 -0.64 0.95 -1.41 0.00 -0.41 -4.94 120.51 110.05 1brz n ALA 32 Ca -0.02 -1.62 0.11 0.00 0.00 0.00 0.00 53.44 51.90 1brz n ALA 32 Cb 0.55 0.09 0.03 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 -3.09 0.04 -3.27 0.00 3.00 0.68 -4.49 116.66 109.53 1brz n ARG 33 Ca 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1brz n ARG 33 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.47 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1brz n SER 34 N -1.55 0.00 0.00 0.55 3.41 0.11 -4.93 113.62 111.20 1brz n SER 34 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1brz n SER 34 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.71 3.63 5.00 0.00 -1.26 0.68 105.19 113.95 1brz n GLY 35 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 0.11 0.04 1.61 2.12 0.11 -4.00 118.70 116.69 1brz s GLU 36 Ca 0.00 0.00 -0.21 0.00 0.36 0.00 0.00 54.97 55.13 1brz s GLU 36 Cb 0.00 0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 1brz s GLU 36 CO 0.00 -0.04 0.61 0.00 -0.54 0.00 0.00 175.26 175.29 1brz s PHE 38 N -0.59 0.18 0.00 0.00 0.08 -0.04 -4.92 117.98 112.69 1brz s PHE 38 Ca 0.31 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1brz s PHE 38 Cb -0.19 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 1brz s PHE 38 CO 0.19 -0.53 0.00 0.66 -0.10 0.00 0.00 175.22 175.44 1brz n TYR 39 N -0.05 -2.63 -3.47 0.36 4.02 -1.26 -1.06 117.16 113.08 1brz n TYR 39 Ca -0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.61 1brz n TYR 39 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.91 1brz n TYR 39 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1brz s ASP 40 N -1.52 -0.55 0.00 7.72 -4.77 -0.46 -4.69 116.67 112.40 1brz s ASP 40 Ca 0.00 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 1brz s ASP 40 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 42.92 42.36 1brz s ASP 40 CO 0.00 -0.78 0.00 -0.62 0.70 0.00 0.00 175.17 174.47 1brz n GLU 41 N 0.06 0.00 -0.08 2.11 -0.58 -1.26 0.33 120.64 121.22 1brz n GLU 41 Ca -0.16 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.49 1brz n GLU 41 Cb 0.62 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.45 1brz n GLU 41 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1brz h LYS 42 N 0.00 0.00 0.00 3.49 3.64 -2.05 -3.48 116.57 118.17 1brz h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1brz h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1brz h LYS 42 CO 0.00 0.29 0.00 0.54 -2.27 0.00 0.00 179.45 178.01 1brz n ARG 43 N -4.59 0.00 -3.53 1.90 1.74 0.15 -5.15 116.66 107.19 1brz n ARG 43 Ca -0.13 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.58 1brz n ARG 43 Cb 0.35 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.73 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1brz s ASN 44 N 0.00 6.64 -0.03 0.55 0.02 -1.22 -4.76 114.94 116.13 1brz s ASN 44 Ca 0.00 0.76 -0.23 0.00 -1.02 0.00 0.00 52.86 52.36 1brz s ASN 44 Cb 0.00 -2.22 -0.04 0.00 0.02 0.00 0.00 41.25 39.01 1brz s ASN 44 CO 0.00 0.22 0.70 -0.22 0.02 0.00 0.00 177.10 177.83 1brz s LEU 45 N -0.39 4.37 0.14 0.60 1.98 -1.26 -1.36 118.68 122.76 1brz s LEU 45 Ca 0.21 1.25 -0.03 0.00 -2.89 0.00 0.00 54.13 52.67 1brz s LEU 45 Cb -0.15 -3.10 -0.03 0.00 0.66 0.00 0.00 46.19 43.57 1brz s LEU 45 CO 0.09 -0.05 0.13 -1.10 -1.89 0.00 0.00 176.35 173.53 1brz s GLN 46 N 0.43 1.00 -0.51 1.98 -0.21 -0.22 -4.98 119.66 117.15 1brz s GLN 46 Ca 0.37 -1.37 -0.17 0.00 0.02 0.00 0.00 55.36 54.21 1brz s GLN 46 Cb -0.19 0.28 0.08 0.00 1.00 0.00 0.00 33.01 34.19 1brz s GLN 46 CO 0.19 -0.31 0.54 0.00 -2.12 0.00 0.00 175.29 173.59 1brz s ILE 48 N 2.14 5.11 -0.23 0.00 -1.09 0.05 -0.55 121.20 126.64 1brz s ILE 48 Ca 0.09 0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 59.09 1brz s ILE 48 Cb -0.23 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1brz s ILE 48 CO 0.08 0.10 0.40 0.00 -1.23 0.00 0.00 174.94 174.29 1brz s ASP 50 N 1.25 6.66 0.00 0.00 2.15 0.21 -1.50 116.67 125.45 1brz s ASP 50 Ca 0.18 0.79 0.10 0.00 0.43 0.00 0.00 52.55 54.05 1brz s ASP 50 Cb -0.15 -2.22 -0.10 0.00 -0.30 0.00 0.00 42.92 40.15 1brz s ASP 50 CO 0.08 0.26 0.44 -1.22 -0.17 0.00 0.00 175.17 174.56 1brz n TYR 51 N 2.40 0.00 0.00 -5.34 4.01 0.25 0.04 117.16 118.52 1brz n TYR 51 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1brz n TYR 51 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1brz n GLU 53 N -2.07 0.00 0.00 0.00 4.07 -1.26 -5.04 120.64 116.34 1brz n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1brz n GLU 53 Cb 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.50 1brz n GLU 53 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05