#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 2.17 -2.70 -0.67 4.76 -1.26 -4.71 118.16 115.76 1brz n LYS 3 Ca 0.00 -0.57 -0.07 0.00 -2.87 0.00 0.00 58.31 54.79 1brz n LYS 3 Cb 0.00 -1.09 0.11 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.17 0.21 0.00 0.00 0.00 -1.26 -1.28 119.74 117.25 1brz s LYS 5 Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 55.97 56.49 1brz s LYS 5 Cb 0.40 0.07 0.00 0.00 0.00 0.00 0.00 37.83 38.30 1brz s LYS 5 CO -0.07 -0.05 0.00 1.63 0.00 0.00 0.00 175.35 176.86 1brz n LYS 6 N 3.18 0.00 -3.52 1.78 5.02 0.17 -4.93 118.16 119.85 1brz n LYS 6 Ca -0.15 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.06 1brz n LYS 6 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 1brz n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1brz s VAL 7 N -1.00 0.00 -0.37 -0.18 0.11 -1.26 -1.38 120.40 116.31 1brz s VAL 7 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1brz s VAL 7 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1brz s VAL 7 CO 0.00 0.00 0.88 -0.47 -3.33 0.00 0.00 175.10 172.18 1brz s TYR 8 N -2.78 3.09 -2.00 1.54 6.14 -0.13 -4.88 117.35 118.32 1brz s TYR 8 Ca 0.05 0.70 0.04 0.00 0.64 0.00 0.00 57.07 58.50 1brz s TYR 8 Cb -0.01 -3.57 0.26 0.00 0.42 0.00 0.00 41.96 39.06 1brz s TYR 8 CO -0.07 -0.80 0.63 0.39 0.64 0.00 0.00 175.55 176.34 1brz n GLU 9 N 6.66 0.27 0.00 4.97 1.02 -1.26 -4.61 120.64 127.70 1brz n GLU 9 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1brz n GLU 9 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1brz n ASN 10 N -0.75 0.00 -3.15 1.62 0.23 -1.26 -5.15 115.26 106.79 1brz n ASN 10 Ca 0.03 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.14 1brz n ASN 10 Cb 0.02 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1brz s TYR 11 N -0.70 -0.05 0.00 -2.53 5.04 -1.26 -5.05 117.35 112.80 1brz s TYR 11 Ca 0.00 0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.62 1brz s TYR 11 Cb 0.00 0.01 -0.06 0.00 0.35 0.00 0.00 41.96 42.26 1brz s TYR 11 CO 0.00 -0.03 0.55 -2.30 -1.34 0.00 0.00 175.55 172.43 1brz n PRO 12 N 5.06 0.00 -1.23 4.97 -0.02 -1.26 -4.32 135.00 138.20 1brz n PRO 12 Ca 0.09 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1brz n PRO 12 Cb 0.58 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 3.86 0.00 -2.18 -1.45 0.31 -1.26 -4.73 118.33 112.87 1brz n VAL 13 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 1brz n VAL 13 Cb 0.16 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 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 -1.52 6.85 -0.15 4.52 1.04 -1.26 -3.76 113.70 119.43 1brz s SER 14 Ca 0.00 2.48 -0.02 0.00 0.48 0.00 0.00 55.95 58.90 1brz s SER 14 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1brz s SER 14 CO 0.00 -0.54 0.05 1.17 0.98 0.00 0.00 173.24 174.90 1brz n LYS 15 N 2.22 -1.49 -2.15 4.02 3.00 -1.26 -4.63 118.16 117.88 1brz n LYS 15 Ca 0.05 0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 58.07 1brz n LYS 15 Cb 0.42 -1.52 -0.05 0.00 0.00 0.00 0.00 35.03 33.89 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 8.41 0.00 0.00 0.00 6.02 -1.26 -5.01 117.38 125.54 1brz n GLN 17 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1brz n GLN 17 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 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 -1.64 0.00 -0.18 1.08 4.32 -1.23 -5.02 117.00 114.33 1brz n LEU 18 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1brz n LEU 18 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1brz n LEU 18 CO 0.00 0.00 0.02 0.00 -1.22 0.00 0.00 177.39 176.19 1brz n ALA 19 N -3.00 -0.20 -2.16 -1.18 0.00 -1.26 -5.06 120.51 107.64 1brz n ALA 19 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1brz n ALA 19 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 2.85 -1.26 -4.40 115.26 112.45 1brz n ASN 20 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1brz n ASN 20 Cb 0.11 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.13 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brz n GLN 21 N 0.00 0.00 0.09 1.20 1.13 -1.26 0.23 117.38 118.78 1brz n GLN 21 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1brz n GLN 21 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz h ASN 23 N -0.25 -0.23 -0.19 0.00 -1.24 0.27 0.40 115.58 114.34 1brz h ASN 23 Ca -0.02 0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.19 1brz h ASN 23 Cb 0.19 0.30 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1brz h ASN 23 CO 0.04 -0.14 0.05 0.22 -1.29 0.00 0.00 177.43 176.30 1brz h TYR 24 N 0.15 0.08 0.06 0.67 3.20 -0.20 0.32 116.97 121.25 1brz h TYR 24 Ca 0.42 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1brz h TYR 24 Cb 0.75 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1brz h TYR 24 CO -0.37 0.03 -0.40 -0.44 -1.64 0.00 0.00 178.16 175.35 1brz h ASP 25 N 0.13 -1.19 -0.64 -2.11 3.32 0.63 -1.12 116.42 115.43 1brz h ASP 25 Ca 0.08 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.31 1brz h ASP 25 Cb 0.07 0.46 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1brz h ASP 25 CO -0.11 -0.46 0.38 0.00 -1.72 0.00 0.00 179.24 177.34 1brz n LYS 27 N -4.74 0.07 0.00 0.00 4.81 0.11 -0.46 118.16 117.95 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 0.11 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.15 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 -0.35 0.00 0.00 3.14 7.94 0.82 -4.60 117.00 123.95 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 -0.04 1.96 8.00 -1.03 0.35 116.55 125.78 1brz n ASP 29 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1brz n ASP 29 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.35 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1brz n LYS 30 N 0.00 0.14 -2.05 -1.24 4.76 -1.26 -4.96 118.16 113.55 1brz n LYS 30 Ca 0.00 -0.09 -0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1brz n LYS 30 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.35 -0.01 0.00 2.13 8.25 1.08 -5.09 115.22 120.24 1brz n HIS 31 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1brz n HIS 31 Cb 0.34 -1.94 0.00 0.00 1.12 0.00 0.00 29.99 29.51 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 -1.13 0.00 0.06 -1.41 0.00 0.39 -4.89 120.51 113.52 1brz n ALA 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1brz n ALA 32 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -3.67 0.00 1.74 0.23 -4.69 116.66 110.27 1brz n ARG 33 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1brz n ARG 33 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1brz s SER 34 N -4.78 -0.69 0.00 0.55 1.04 -0.56 -4.18 113.70 105.07 1brz s SER 34 Ca 0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1brz s SER 34 Cb 0.00 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.24 1brz s SER 34 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1brz n GLY 35 N 3.78 3.45 3.65 7.32 0.00 -1.25 0.43 105.19 122.58 1brz n GLY 35 Ca -0.19 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 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 2.68 0.29 -0.21 1.61 -6.30 -0.28 -4.74 118.70 111.76 1brz s GLU 36 Ca 0.00 0.47 -0.20 0.00 -2.50 0.00 0.00 54.97 52.74 1brz s GLU 36 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 34.13 34.17 1brz s GLU 36 CO 0.00 -0.06 0.58 0.00 0.02 0.00 0.00 175.26 175.80 1brz s PHE 38 N 1.87 -0.35 0.16 0.00 -0.71 -0.53 -4.96 117.98 113.47 1brz s PHE 38 Ca 0.26 0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 56.69 1brz s PHE 38 Cb -0.16 0.12 -0.08 0.00 -1.21 0.00 0.00 43.02 41.70 1brz s PHE 38 CO 0.10 -0.19 1.21 0.71 -1.34 0.00 0.00 175.22 175.71 1brz s TYR 39 N 0.07 3.41 0.00 3.49 2.02 -1.26 -0.53 117.35 124.56 1brz s TYR 39 Ca -0.01 1.37 0.00 0.00 -0.37 0.00 0.00 57.07 58.06 1brz s TYR 39 Cb -0.03 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 1brz s TYR 39 CO 0.01 -1.30 0.00 -0.40 -1.57 0.00 0.00 175.55 172.28 1brz n ASP 40 N 2.84 0.00 -2.08 2.29 5.75 -1.26 -4.71 116.55 119.37 1brz n ASP 40 Ca 0.06 -0.61 -0.04 0.00 -0.01 0.00 0.00 54.79 54.18 1brz n ASP 40 Cb 0.45 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.53 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1brz n GLU 41 N 0.00 -0.97 -2.22 0.11 2.13 -1.26 -0.02 120.64 118.40 1brz n GLU 41 Ca 0.00 0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 1brz n GLU 41 Cb 0.00 -0.49 0.00 0.00 0.27 0.00 0.00 31.44 31.22 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 -1.04 -1.51 -3.26 5.31 5.02 -1.26 -4.50 118.16 116.92 1brz n LYS 42 Ca -0.00 1.52 -0.15 0.00 -2.02 0.00 0.00 58.31 57.65 1brz n LYS 42 Cb 0.06 -3.70 0.08 0.00 -0.02 0.00 0.00 35.03 31.45 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1brz n ARG 43 N -0.15 -5.02 -0.07 1.97 0.63 -0.44 -4.98 116.66 108.60 1brz n ARG 43 Ca 0.05 0.79 -0.06 0.00 -0.92 0.00 0.00 57.85 57.71 1brz n ARG 43 Cb 0.18 -5.58 -0.02 0.00 0.45 0.00 0.00 32.46 27.48 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1brz n ASN 44 N -3.00 1.79 -1.75 6.15 5.03 0.97 -4.85 115.26 119.61 1brz n ASN 44 Ca -0.21 0.53 -0.01 0.00 0.87 0.00 0.00 54.58 55.76 1brz n ASN 44 Cb 0.64 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 1brz n ASN 44 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1brz n LEU 45 N -4.50 -2.69 0.00 3.41 7.94 -1.17 -4.81 117.00 115.19 1brz n LEU 45 Ca -0.09 -0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.63 1brz n LEU 45 Cb 0.34 -1.23 0.08 0.00 0.53 0.00 0.00 43.42 43.13 1brz n LEU 45 CO 0.14 -0.12 0.35 0.00 -1.11 0.00 0.00 177.39 176.65 1brz n GLN 46 N -1.30 0.13 -4.22 1.96 6.02 0.32 -4.70 117.38 115.58 1brz n GLN 46 Ca -0.00 -1.65 -0.27 0.00 -0.01 0.00 0.00 57.00 55.06 1brz n GLN 46 Cb 0.51 -0.43 -0.17 0.00 1.02 0.00 0.00 30.24 31.17 1brz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1brz s ILE 48 N 1.25 4.84 -0.21 0.00 -1.09 0.78 -0.95 121.20 125.83 1brz s ILE 48 Ca -0.02 0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1brz s ILE 48 Cb -0.14 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 1brz s ILE 48 CO -0.04 -0.50 0.05 0.00 -1.23 0.00 0.00 174.94 173.22 1brz s ASP 50 N 1.88 6.64 -0.10 0.00 1.01 0.17 -0.65 116.67 125.62 1brz s ASP 50 Ca 0.01 0.76 0.19 0.00 0.71 0.00 0.00 52.55 54.21 1brz s ASP 50 Cb -0.17 -2.23 -0.28 0.00 1.01 0.00 0.00 42.92 41.26 1brz s ASP 50 CO -0.11 0.19 0.27 -1.22 0.21 0.00 0.00 175.17 174.51 1brz n TYR 51 N 2.78 0.00 0.00 4.23 4.02 -0.40 0.75 117.16 128.54 1brz n TYR 51 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1brz n TYR 51 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 0.00 0.00 0.00 0.28 -1.26 -4.94 120.64 114.72 1brz n GLU 53 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1brz n GLU 53 Cb 0.00 0.00 0.51 0.00 1.43 0.00 0.00 31.44 33.38 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63