#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 s ASN 3 N 7.90 5.82 0.01 0.00 0.02 -0.18 -4.79 114.94 123.72 1bk8 s ASN 3 Ca 0.77 0.16 -0.30 0.00 -1.02 0.00 0.00 52.86 52.47 1bk8 s ASN 3 Cb -0.04 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.64 1bk8 s ASN 3 CO 0.15 -1.98 1.23 -0.70 0.02 0.00 0.00 177.10 175.83 1bk8 s GLU 4 N 6.11 4.38 -0.04 -0.60 2.12 -1.26 -0.78 118.70 128.62 1bk8 s GLU 4 Ca 0.54 1.76 -0.05 0.00 0.36 0.00 0.00 54.97 57.58 1bk8 s GLU 4 Cb -0.11 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1bk8 s GLU 4 CO 0.21 -0.38 0.13 0.50 -0.54 0.00 0.00 175.26 175.18 1bk8 s ARG 5 N 1.72 0.22 1.19 4.30 3.52 0.50 -4.99 118.95 125.41 1bk8 s ARG 5 Ca 0.58 0.05 -0.20 0.00 -0.13 0.00 0.00 55.73 56.04 1bk8 s ARG 5 Cb -0.28 0.10 0.29 0.00 -1.56 0.00 0.00 34.95 33.50 1bk8 s ARG 5 CO 0.26 -0.04 1.16 -1.25 -0.81 0.00 0.00 175.30 174.62 1bk8 s PRO 6 N -0.25 -1.15 -0.42 5.12 0.04 -1.26 -0.45 135.00 136.63 1bk8 s PRO 6 Ca -0.03 -0.25 -0.27 0.00 0.04 0.00 0.00 61.00 60.49 1bk8 s PRO 6 Cb -0.02 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1bk8 s PRO 6 CO 0.00 -3.63 2.13 -1.54 0.04 0.00 0.00 177.00 174.00 1bk8 s SER 7 N -4.18 5.13 0.00 6.66 1.04 -0.97 -4.33 113.70 117.05 1bk8 s SER 7 Ca 0.73 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1bk8 s SER 7 Cb -0.07 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1bk8 s SER 7 CO 0.55 -2.33 0.00 0.00 0.98 0.00 0.00 173.24 172.44 1bk8 n GLN 8 N 8.88 0.00 0.00 4.02 6.02 -1.26 -4.40 117.38 130.63 1bk8 n GLN 8 Ca 0.29 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.38 1bk8 n GLN 8 Cb 0.50 -0.02 0.45 0.00 1.02 0.00 0.00 30.24 32.19 1bk8 n GLN 8 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1bk8 n THR 9 N -0.13 0.56 -0.12 5.09 -2.24 -1.26 -0.74 114.28 115.43 1bk8 n THR 9 Ca 0.00 0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1bk8 n THR 9 Cb 0.00 -0.78 0.10 0.00 -2.10 0.00 0.00 70.33 67.55 1bk8 n THR 9 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1bk8 h TRP 10 N 0.00 0.93 -6.05 4.78 2.91 -1.90 -3.48 115.95 113.14 1bk8 h TRP 10 Ca 0.00 -0.18 -0.40 0.00 1.13 0.00 0.00 58.89 59.44 1bk8 h TRP 10 Cb 0.35 -0.24 0.08 0.00 -0.51 0.00 0.00 29.16 28.84 1bk8 h TRP 10 CO 0.00 0.90 -0.87 0.43 -1.03 0.00 0.00 178.44 177.88 1bk8 n SER 11 N -4.16 -3.01 0.00 2.65 7.64 0.08 -4.86 113.62 111.96 1bk8 n SER 11 Ca 0.01 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1bk8 n SER 11 Cb 0.37 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1bk8 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bk8 n GLY 12 N -1.57 -0.60 3.90 0.23 0.00 -1.26 -5.13 105.19 100.76 1bk8 n GLY 12 Ca -0.21 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1bk8 n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 13 N -4.00 6.46 0.21 1.61 2.47 -1.26 -4.75 114.94 115.68 1bk8 s ASN 13 Ca 0.00 0.54 0.01 0.00 0.42 0.00 0.00 52.86 53.83 1bk8 s ASN 13 Cb 0.00 -2.07 -0.04 0.00 -1.45 0.00 0.00 41.25 37.69 1bk8 s ASN 13 CO 0.00 0.04 0.37 0.00 -3.72 0.00 0.00 177.10 173.79 1bk8 n GLY 15 N -0.90 -0.24 3.58 0.00 0.00 -1.26 -4.71 105.19 101.65 1bk8 n GLY 15 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1bk8 n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 16 N -5.24 5.86 0.42 1.61 3.84 -1.26 -4.78 114.94 115.39 1bk8 s ASN 16 Ca 0.00 -1.91 0.14 0.00 0.21 0.00 0.00 52.86 51.30 1bk8 s ASN 16 Cb 0.00 -2.58 1.01 0.00 -0.55 0.00 0.00 41.25 39.13 1bk8 s ASN 16 CO 0.00 -2.19 1.94 0.00 -2.79 0.00 0.00 177.10 174.05 1bk8 h THR 17 N 6.04 0.84 0.00 -5.21 1.03 -1.97 0.12 112.91 113.76 1bk8 h THR 17 Ca 0.30 -0.16 -0.01 0.00 -0.01 0.00 0.00 66.41 66.54 1bk8 h THR 17 Cb 0.92 0.35 -0.00 0.00 -1.07 0.00 0.00 68.15 68.34 1bk8 h THR 17 CO 1.33 0.08 -0.05 0.00 -0.01 0.00 0.00 175.52 176.87 1bk8 h ALA 18 N 1.65 1.05 0.01 0.00 0.00 -1.98 -0.78 119.26 119.22 1bk8 h ALA 18 Ca 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1bk8 h ALA 18 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1bk8 h ALA 18 CO -0.11 0.06 -0.00 1.25 0.00 0.00 0.00 179.25 180.45 1bk8 h HIS 19 N 0.00 -0.01 -0.91 0.00 6.17 -1.24 -3.38 115.15 115.79 1bk8 h HIS 19 Ca -0.00 -0.00 0.25 0.00 0.71 0.00 0.00 60.37 61.33 1bk8 h HIS 19 Cb 0.42 0.00 -0.16 0.00 2.52 0.00 0.00 27.41 30.19 1bk8 h HIS 19 CO 0.00 0.82 0.12 0.00 0.71 0.00 0.00 177.93 179.58 1bk8 h ASP 21 N 0.09 1.03 -0.20 0.00 1.82 -1.33 -1.92 116.42 115.91 1bk8 h ASP 21 Ca 0.56 -0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 57.01 1bk8 h ASP 21 Cb 1.15 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1bk8 h ASP 21 CO -0.78 0.87 -0.10 0.11 -1.61 0.00 0.00 179.24 177.73 1bk8 h LYS 22 N 1.11 0.42 -0.50 0.28 1.57 -0.51 -3.05 116.57 115.89 1bk8 h LYS 22 Ca 0.27 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1bk8 h LYS 22 Cb 0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1bk8 h LYS 22 CO -0.04 0.72 0.21 0.37 -0.57 0.00 0.00 179.45 180.14 1bk8 h GLN 23 N 0.12 0.40 0.00 3.15 5.75 0.08 0.46 115.11 125.07 1bk8 h GLN 23 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1bk8 h GLN 23 Cb 0.59 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1bk8 h GLN 23 CO 0.03 0.26 0.00 0.00 -2.65 0.00 0.00 178.83 176.47 1bk8 n GLN 25 N -2.57 0.67 0.17 0.00 6.02 0.71 -1.65 117.38 120.74 1bk8 n GLN 25 Ca -0.01 0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 1bk8 n GLN 25 Cb 0.13 -1.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 1bk8 n GLN 25 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1bk8 h ASP 26 N 0.00 -0.43 0.00 1.08 3.32 0.27 -3.40 116.42 117.26 1bk8 h ASP 26 Ca -0.56 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1bk8 h ASP 26 Cb 2.05 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.71 1bk8 h ASP 26 CO -0.03 0.02 0.00 0.79 -1.72 0.00 0.00 179.24 178.30 1bk8 n TRP 27 N -5.12 0.00 -0.28 4.55 7.02 0.01 -4.92 117.44 118.70 1bk8 n TRP 27 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1bk8 n TRP 27 Cb 0.23 -0.43 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 1bk8 n TRP 27 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1bk8 n GLU 28 N -1.98 0.35 -2.73 -0.99 -0.58 -1.23 -5.04 120.64 108.44 1bk8 n GLU 28 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1bk8 n GLU 28 Cb 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 30.96 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bk8 n LYS 29 N -0.53 1.03 -1.53 3.49 4.01 -0.66 -3.94 118.16 120.03 1bk8 n LYS 29 Ca 0.00 -1.90 -0.29 0.00 -0.51 0.00 0.00 58.31 55.61 1bk8 n LYS 29 Cb 0.00 -0.90 0.13 0.00 -0.51 0.00 0.00 35.03 33.75 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bk8 s ALA 30 N 0.26 1.80 0.22 7.82 0.00 -0.74 -4.98 121.76 126.14 1bk8 s ALA 30 Ca 0.22 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1bk8 s ALA 30 Cb 0.30 -3.04 0.25 0.00 0.00 0.00 0.00 23.12 20.63 1bk8 s ALA 30 CO -0.06 -2.24 1.85 0.77 0.00 0.00 0.00 175.76 176.08 1bk8 h SER 31 N -1.47 0.78 -0.42 0.00 0.02 -0.63 -3.42 113.55 108.42 1bk8 h SER 31 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1bk8 h SER 31 Cb 1.33 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1bk8 h SER 31 CO 0.62 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.83 1bk8 n HIS 32 N -4.64 -0.42 -4.34 3.45 1.44 -1.06 -4.94 115.22 104.71 1bk8 n HIS 32 Ca 0.10 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.63 1bk8 n HIS 32 Cb 0.12 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.13 1bk8 n HIS 32 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bk8 s GLY 33 N -1.35 1.61 -0.28 -1.39 0.00 -1.15 -0.55 107.32 104.21 1bk8 s GLY 33 Ca 0.00 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 42.71 1bk8 s GLY 33 CO 0.00 -1.68 0.97 0.00 0.00 0.00 0.00 173.10 172.39 1bk8 s ALA 34 N -3.41 -2.07 0.46 3.20 0.00 0.34 -3.90 121.76 116.38 1bk8 s ALA 34 Ca 0.30 2.06 -0.17 0.00 0.00 0.00 0.00 51.96 54.14 1bk8 s ALA 34 Cb 0.06 -1.53 -0.09 0.00 0.00 0.00 0.00 23.12 21.56 1bk8 s ALA 34 CO 0.10 -0.29 0.93 0.00 0.00 0.00 0.00 175.76 176.49 1bk8 s HIS 36 N -2.38 -0.14 -0.12 0.00 3.76 -0.13 -4.88 115.29 111.39 1bk8 s HIS 36 Ca 0.59 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.21 1bk8 s HIS 36 Cb -0.10 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 1bk8 s HIS 36 CO 0.23 -0.56 0.86 0.21 -0.85 0.00 0.00 174.74 174.63 1bk8 s LYS 37 N -2.89 4.37 -0.15 1.40 2.20 -1.26 -0.45 119.74 122.96 1bk8 s LYS 37 Ca -0.03 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1bk8 s LYS 37 Cb 0.00 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1bk8 s LYS 37 CO -0.05 -0.23 -0.14 1.03 -0.36 0.00 0.00 175.35 175.60 1bk8 s ARG 38 N 1.76 2.32 -0.97 4.03 1.81 0.17 -4.89 118.95 123.18 1bk8 s ARG 38 Ca 0.41 -0.57 -0.12 0.00 -1.72 0.00 0.00 55.73 53.74 1bk8 s ARG 38 Cb -0.18 -2.12 -0.00 0.00 -0.45 0.00 0.00 34.95 32.20 1bk8 s ARG 38 CO 0.16 -0.23 0.72 0.39 -0.68 0.00 0.00 175.30 175.66 1bk8 n GLU 39 N 4.76 -1.29 0.00 3.54 4.71 -1.26 -0.81 120.64 130.30 1bk8 n GLU 39 Ca -0.17 0.75 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 1bk8 n GLU 39 Cb 0.50 -3.94 0.00 0.00 -1.01 0.00 0.00 31.44 26.99 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1bk8 n ASN 40 N -2.45 0.00 -4.56 1.62 2.85 -1.26 -4.92 115.26 106.53 1bk8 n ASN 40 Ca -0.13 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.94 1bk8 n ASN 40 Cb 0.60 -0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.51 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1bk8 s HIS 41 N -0.01 3.22 -0.18 1.20 3.76 0.01 -4.98 115.29 118.32 1bk8 s HIS 41 Ca 0.00 0.05 -0.29 0.00 -0.15 0.00 0.00 55.06 54.67 1bk8 s HIS 41 Cb 0.00 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1bk8 s HIS 41 CO 0.00 -0.30 1.76 -1.58 -0.85 0.00 0.00 174.74 173.77 1bk8 s TRP 42 N 1.88 1.84 -0.08 1.40 0.52 -1.26 -0.66 118.94 122.58 1bk8 s TRP 42 Ca 0.09 0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.63 1bk8 s TRP 42 Cb -0.16 -4.01 -0.02 0.00 -1.15 0.00 0.00 33.47 28.12 1bk8 s TRP 42 CO 0.11 -3.51 -0.12 0.15 0.02 0.00 0.00 176.95 173.60 1bk8 s LYS 43 N 4.90 2.79 -0.54 4.98 -0.14 0.40 0.15 119.74 132.28 1bk8 s LYS 43 Ca 0.78 -0.66 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 1bk8 s LYS 43 Cb -0.29 -2.49 -0.00 0.00 -1.68 0.00 0.00 37.83 33.36 1bk8 s LYS 43 CO 0.32 0.52 1.65 0.00 -0.76 0.00 0.00 175.35 177.08 1bk8 s PHE 45 N 7.33 3.58 0.16 0.00 0.40 -0.40 -2.30 117.98 126.75 1bk8 s PHE 45 Ca 0.62 1.27 0.05 0.00 -0.60 0.00 0.00 56.93 58.27 1bk8 s PHE 45 Cb -0.13 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 1bk8 s PHE 45 CO 0.25 0.31 0.16 0.00 0.70 0.00 0.00 175.22 176.64 1bk8 s TYR 47 N -1.74 1.66 0.69 0.00 1.51 0.29 -0.37 117.35 119.40 1bk8 s TYR 47 Ca 0.32 -1.50 0.03 0.00 -1.01 0.00 0.00 57.07 54.90 1bk8 s TYR 47 Cb -0.10 -1.51 0.13 0.00 -0.11 0.00 0.00 41.96 40.36 1bk8 s TYR 47 CO 0.24 -0.78 0.95 -0.06 -1.11 0.00 0.00 175.55 174.79 1bk8 s PHE 48 N 1.64 1.28 -0.66 2.71 0.40 0.03 0.10 117.98 123.48 1bk8 s PHE 48 Ca 0.04 -0.50 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1bk8 s PHE 48 Cb -0.17 -2.72 0.08 0.00 0.51 0.00 0.00 43.02 40.72 1bk8 s PHE 48 CO -0.16 -1.64 0.21 0.09 0.70 0.00 0.00 175.22 174.42 1bk8 n ASN 49 N -2.69 -1.03 -0.50 1.36 3.02 -1.26 -1.01 115.26 113.15 1bk8 n ASN 49 Ca 0.17 -0.24 0.14 0.00 -0.03 0.00 0.00 54.58 54.61 1bk8 n ASN 49 Cb 0.61 -0.95 0.51 0.00 -0.61 0.00 0.00 39.78 39.34 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64