#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 -1.04 -0.19 -1.24 4.76 -1.26 -4.69 118.16 114.50 1brz n LYS 3 Ca 0.00 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1brz n LYS 3 Cb 0.00 -4.82 0.00 0.00 -1.84 0.00 0.00 35.03 28.37 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1brz s LYS 5 N 0.00 0.20 -0.10 0.00 -2.85 -1.26 -1.30 119.74 114.43 1brz s LYS 5 Ca 0.00 0.49 -0.04 0.00 -1.00 0.00 0.00 55.97 55.41 1brz s LYS 5 Cb 0.00 -0.09 0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1brz s LYS 5 CO 0.00 -0.14 0.21 0.15 0.10 0.00 0.00 175.35 175.67 1brz s LYS 6 N 1.09 0.13 0.18 1.78 -0.14 -0.39 -4.95 119.74 117.43 1brz s LYS 6 Ca -0.08 0.57 -0.32 0.00 -1.36 0.00 0.00 55.97 54.79 1brz s LYS 6 Cb -0.09 -0.14 -0.11 0.00 -1.68 0.00 0.00 37.83 35.81 1brz s LYS 6 CO -0.07 -0.23 1.67 0.14 -0.76 0.00 0.00 175.35 176.10 1brz s VAL 7 N 1.81 2.36 0.00 3.17 -7.23 -1.26 -0.96 120.40 118.29 1brz s VAL 7 Ca -0.04 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1brz s VAL 7 Cb -0.11 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1brz s VAL 7 CO -0.07 0.01 0.44 0.00 -0.31 0.00 0.00 175.10 175.17 1brz n TYR 8 N 4.23 0.00 -2.10 2.82 9.36 0.51 -4.88 117.16 127.10 1brz n TYR 8 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1brz n TYR 8 Cb 0.37 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1brz n GLU 9 N -0.57 -1.88 0.00 2.98 -0.58 -1.26 -5.00 120.64 114.34 1brz n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1brz n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1brz n ASN 10 N 0.58 0.00 -0.01 1.62 6.94 -1.26 -4.61 115.26 118.52 1brz n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1brz n ASN 10 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1brz n TYR 11 N -3.13 0.00 -1.94 -2.53 9.36 -1.26 -4.56 117.16 113.09 1brz n TYR 11 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 1brz n TYR 11 Cb 0.00 -0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1brz n TYR 11 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1brz s PRO 12 N -0.01 2.70 0.00 2.98 0.04 -1.26 -4.80 135.00 134.65 1brz s PRO 12 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1brz s PRO 12 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1brz s PRO 12 CO 0.00 -2.62 0.00 0.28 0.04 0.00 0.00 177.00 174.70 1brz n VAL 13 N 7.40 0.00 0.07 -0.36 0.31 -1.26 -3.47 118.33 121.01 1brz n VAL 13 Ca 0.24 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.58 1brz n VAL 13 Cb 0.51 -0.46 0.04 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.41 0.00 -3.61 4.52 3.41 -1.26 -4.52 113.62 111.74 1brz n SER 14 Ca 0.00 0.26 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1brz n SER 14 Cb 0.00 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 1brz n SER 14 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1brz s LYS 15 N -2.56 0.45 0.00 4.33 -2.85 -1.23 -5.02 119.74 112.87 1brz s LYS 15 Ca 0.01 0.85 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 1brz s LYS 15 Cb 0.01 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1brz s LYS 15 CO 0.02 -0.11 0.04 0.00 0.10 0.00 0.00 175.35 175.41 1brz n GLN 17 N 0.00 2.11 -3.64 0.00 6.02 -1.26 -4.53 117.38 116.08 1brz n GLN 17 Ca 0.00 -1.71 -0.12 0.00 -0.01 0.00 0.00 57.00 55.16 1brz n GLN 17 Cb 0.34 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.19 -0.75 -0.13 1.08 1.02 -1.26 -5.12 118.68 112.33 1brz s LEU 18 Ca 0.34 1.44 -0.29 0.00 0.02 0.00 0.00 54.13 55.63 1brz s LEU 18 Cb 0.18 2.38 -0.07 0.00 0.02 0.00 0.00 46.19 48.71 1brz s LEU 18 CO 0.25 -0.24 2.13 0.00 0.02 0.00 0.00 176.35 178.50 1brz n ALA 19 N 3.19 1.66 -2.00 4.21 0.00 -1.26 -4.69 120.51 121.62 1brz n ALA 19 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1brz n ALA 19 Cb 0.56 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 10.04 0.00 0.00 0.00 4.05 -1.26 -4.93 115.26 123.15 1brz n ASN 20 Ca 0.27 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.30 1brz n ASN 20 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 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 -0.03 1.20 -0.06 -1.26 0.25 117.38 117.48 1brz n GLN 21 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1brz n GLN 21 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 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 0.09 -0.07 -1.01 0.00 -0.73 0.40 0.01 115.58 114.28 1brz h ASN 23 Ca 0.08 0.01 0.23 0.00 1.87 0.00 0.00 56.30 58.49 1brz h ASN 23 Cb 0.07 0.02 -0.11 0.00 0.27 0.00 0.00 38.32 38.58 1brz h ASN 23 CO -0.11 -0.03 0.62 0.22 -0.37 0.00 0.00 177.43 177.76 1brz h TYR 24 N -0.04 0.93 0.36 0.67 3.20 0.46 0.18 116.97 122.73 1brz h TYR 24 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1brz h TYR 24 Cb 0.04 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1brz h TYR 24 CO -0.14 0.11 -0.33 -0.44 -1.64 0.00 0.00 178.16 175.73 1brz h ASP 25 N 0.58 -0.89 -0.94 -2.11 3.32 0.17 -2.11 116.42 114.45 1brz h ASP 25 Ca 0.61 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.81 1brz h ASP 25 Cb 1.20 0.29 -0.07 0.00 0.22 0.00 0.00 39.33 40.97 1brz h ASP 25 CO -0.40 -0.44 0.61 0.00 -1.72 0.00 0.00 179.24 177.29 1brz n LYS 27 N -4.53 0.00 0.00 0.00 4.81 0.58 0.16 118.16 119.18 1brz n LYS 27 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1brz n LYS 27 Cb 0.26 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.99 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 -0.79 0.00 0.19 3.14 -0.00 0.05 -4.65 117.00 114.94 1brz n LEU 28 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 1brz n LEU 28 Cb 0.00 0.05 0.60 0.00 -0.00 0.00 0.00 43.42 44.07 1brz n LEU 28 CO 0.00 -0.05 0.91 0.44 -0.00 0.00 0.00 177.39 178.69 1brz h ASP 29 N 0.00 0.00 0.00 1.96 3.32 0.58 -3.15 116.42 119.13 1brz h ASP 29 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1brz h ASP 29 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1brz h ASP 29 CO 0.00 0.00 -0.55 0.29 -1.72 0.00 0.00 179.24 177.26 1brz n LYS 30 N -2.52 0.00 -4.43 3.56 4.76 -1.14 -4.96 118.16 113.43 1brz n LYS 30 Ca 0.01 -1.10 -0.41 0.00 -2.87 0.00 0.00 58.31 53.94 1brz n LYS 30 Cb 0.22 -0.28 -0.07 0.00 -1.84 0.00 0.00 35.03 33.05 1brz n LYS 30 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1brz n HIS 31 N 0.11 -1.25 -1.97 2.13 -0.00 -1.06 -4.91 115.22 108.27 1brz n HIS 31 Ca 0.00 0.67 -0.10 0.00 -0.00 0.00 0.00 57.72 58.29 1brz n HIS 31 Cb 0.78 -1.94 0.06 0.00 -0.00 0.00 0.00 29.99 28.89 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1brz n ALA 32 N -4.03 -0.20 -0.07 1.59 0.00 0.12 -4.94 120.51 112.99 1brz n ALA 32 Ca 0.11 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 1brz n ALA 32 Cb 0.46 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1brz n ALA 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1brz n ARG 33 N -1.87 0.69 -3.83 0.00 0.00 0.99 -4.40 116.66 108.24 1brz n ARG 33 Ca 0.06 0.22 -0.07 0.00 -0.00 0.00 0.00 57.85 58.06 1brz n ARG 33 Cb 0.23 -1.61 0.01 0.00 0.00 0.00 0.00 32.46 31.09 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1brz s SER 34 N -6.79 -0.09 -0.12 6.15 1.04 0.11 -4.79 113.70 109.21 1brz s SER 34 Ca -0.30 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 54.98 1brz s SER 34 Cb 0.08 0.75 0.06 0.00 0.10 0.00 0.00 66.02 67.02 1brz s SER 34 CO 0.67 -1.46 0.65 -0.83 0.98 0.00 0.00 173.24 173.24 1brz s GLY 35 N -3.05 -0.52 -0.22 7.32 0.00 -1.25 0.46 107.32 110.06 1brz s GLY 35 Ca 0.14 1.44 -0.33 0.00 0.00 0.00 0.00 44.72 45.97 1brz s GLY 35 CO 0.09 1.13 1.24 -0.54 0.00 0.00 0.00 173.10 175.01 1brz s GLU 36 N -0.67 0.26 0.19 2.90 2.02 -0.30 -2.13 118.70 120.97 1brz s GLU 36 Ca -0.07 -0.05 -0.16 0.00 0.02 0.00 0.00 54.97 54.71 1brz s GLU 36 Cb -0.02 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.25 1brz s GLU 36 CO 0.06 -0.10 0.62 0.00 0.02 0.00 0.00 175.26 175.87 1brz s PHE 38 N -1.52 0.54 0.85 0.00 0.08 -0.45 -4.85 117.98 112.63 1brz s PHE 38 Ca 0.41 -0.96 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 1brz s PHE 38 Cb -0.15 -0.27 0.10 0.00 -0.57 0.00 0.00 43.02 42.13 1brz s PHE 38 CO 0.20 -0.55 1.11 0.71 -0.10 0.00 0.00 175.22 176.59 1brz s TYR 39 N -3.97 2.66 0.09 0.36 2.02 -1.25 -0.99 117.35 116.27 1brz s TYR 39 Ca 0.16 1.05 -0.26 0.00 -0.37 0.00 0.00 57.07 57.65 1brz s TYR 39 Cb 0.06 -3.22 0.09 0.00 -0.40 0.00 0.00 41.96 38.49 1brz s TYR 39 CO -0.03 -2.06 1.14 0.16 -1.57 0.00 0.00 175.55 173.18 1brz s ASP 40 N -3.89 -0.03 0.00 2.29 1.47 -0.91 -4.84 116.67 110.75 1brz s ASP 40 Ca 0.62 -0.42 0.00 0.00 1.18 0.00 0.00 52.55 53.94 1brz s ASP 40 Cb -0.15 0.35 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 1brz s ASP 40 CO 0.54 -0.67 0.00 -0.62 0.68 0.00 0.00 175.17 175.10 1brz n GLU 41 N -0.68 0.00 -2.76 2.11 -0.58 -1.26 0.73 120.64 118.20 1brz n GLU 41 Ca -0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1brz n GLU 41 Cb 0.60 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.49 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1brz n LYS 42 N 0.00 5.07 -4.30 3.49 5.02 -1.26 -4.81 118.16 121.37 1brz n LYS 42 Ca 0.00 -4.59 -0.31 0.00 -2.02 0.00 0.00 58.31 51.39 1brz n LYS 42 Cb 0.00 -2.49 -0.09 0.00 -0.02 0.00 0.00 35.03 32.42 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 0.52 -1.04 -3.71 1.97 5.12 0.22 -4.91 116.66 114.84 1brz n ARG 43 Ca 0.40 0.10 -0.37 0.00 -1.93 0.00 0.00 57.85 56.05 1brz n ARG 43 Cb 0.29 -3.61 -0.12 0.00 -1.16 0.00 0.00 32.46 27.87 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1brz s ASN 44 N -4.37 5.56 -1.06 0.55 0.02 -0.91 -4.79 114.94 109.95 1brz s ASN 44 Ca 0.01 -0.09 -0.19 0.00 -1.02 0.00 0.00 52.86 51.57 1brz s ASN 44 Cb -0.01 -2.01 0.11 0.00 0.02 0.00 0.00 41.25 39.36 1brz s ASN 44 CO 0.99 -0.01 1.36 -0.22 0.02 0.00 0.00 177.10 179.24 1brz s LEU 45 N 1.52 4.48 -0.03 0.60 2.96 -1.25 -2.13 118.68 124.83 1brz s LEU 45 Ca 0.06 -2.14 -0.05 0.00 -0.22 0.00 0.00 54.13 51.79 1brz s LEU 45 Cb -0.15 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1brz s LEU 45 CO 0.06 -1.13 0.20 -1.10 -1.32 0.00 0.00 176.35 173.06 1brz s GLN 46 N 3.27 3.48 -0.49 1.98 -0.21 -0.16 -4.71 119.66 122.81 1brz s GLN 46 Ca 0.41 -0.21 -0.26 0.00 0.02 0.00 0.00 55.36 55.31 1brz s GLN 46 Cb -0.02 -3.11 -0.05 0.00 1.00 0.00 0.00 33.01 30.82 1brz s GLN 46 CO -0.05 0.69 2.22 0.00 -2.12 0.00 0.00 175.29 176.03 1brz s ILE 48 N 10.81 5.09 -0.33 0.00 1.01 0.14 -0.37 121.20 137.56 1brz s ILE 48 Ca 0.89 0.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.21 1brz s ILE 48 Cb -0.18 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1brz s ILE 48 CO 0.26 0.11 0.55 0.00 0.00 0.00 0.00 174.94 175.86 1brz s ASP 50 N 1.71 6.81 -0.04 0.00 -1.08 0.17 -1.26 116.67 122.98 1brz s ASP 50 Ca 0.21 0.96 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 1brz s ASP 50 Cb -0.15 -2.25 -0.17 0.00 -1.46 0.00 0.00 42.92 38.89 1brz s ASP 50 CO 0.13 0.32 0.20 -1.22 0.52 0.00 0.00 175.17 175.11 1brz n TYR 51 N 1.88 0.00 0.17 -5.34 4.01 -0.42 -0.01 117.16 117.45 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 0.52 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 -3.44 0.00 0.00 0.00 2.13 -1.26 -5.06 120.64 113.01 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 0.98 -0.41 0.00 0.00 177.13 177.70