#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 n ASN 3 N 4.34 6.26 -3.43 0.00 6.94 -1.24 -4.69 115.26 123.44 1bk8 n ASN 3 Ca 0.58 -3.07 -0.31 0.00 -0.02 0.00 0.00 54.58 51.76 1bk8 n ASN 3 Cb 0.21 -1.27 0.03 0.00 -2.36 0.00 0.00 39.78 36.39 1bk8 n ASN 3 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1bk8 n GLU 4 N 1.20 -1.68 -4.40 -3.83 0.00 -1.24 -4.79 120.64 105.89 1bk8 n GLU 4 Ca 0.48 1.35 -0.26 0.00 0.00 0.00 0.00 57.16 58.73 1bk8 n GLU 4 Cb 0.62 -2.00 -0.12 0.00 0.00 0.00 0.00 31.44 29.94 1bk8 n GLU 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1bk8 s ARG 5 N -2.20 1.46 1.07 5.31 0.52 0.54 -4.95 118.95 120.69 1bk8 s ARG 5 Ca 0.31 -1.49 -0.17 0.00 -0.52 0.00 0.00 55.73 53.86 1bk8 s ARG 5 Cb -0.03 -1.73 0.23 0.00 0.52 0.00 0.00 34.95 33.93 1bk8 s ARG 5 CO 0.72 0.37 1.20 -1.25 0.02 0.00 0.00 175.30 176.36 1bk8 s PRO 6 N -2.68 -0.15 -0.41 3.54 0.04 -1.26 -0.31 135.00 133.77 1bk8 s PRO 6 Ca 0.19 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.82 1bk8 s PRO 6 Cb -0.08 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1bk8 s PRO 6 CO 0.09 -2.99 2.19 -1.54 0.04 0.00 0.00 177.00 174.79 1bk8 s SER 7 N -4.30 5.05 0.00 6.66 1.04 -0.93 -4.21 113.70 117.01 1bk8 s SER 7 Ca 0.71 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1bk8 s SER 7 Cb -0.08 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1bk8 s SER 7 CO 0.54 -2.38 0.00 0.00 0.98 0.00 0.00 173.24 172.39 1bk8 n GLN 8 N 8.88 0.00 0.00 4.02 6.02 -1.26 -4.40 117.38 130.64 1bk8 n GLN 8 Ca 0.30 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1bk8 n GLN 8 Cb 0.50 0.00 0.50 0.00 1.02 0.00 0.00 30.24 32.27 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 0.00 0.43 -0.14 5.09 -2.24 -1.26 -0.87 114.28 115.29 1bk8 n THR 9 Ca 0.00 0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1bk8 n THR 9 Cb 0.00 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.54 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 1.04 -6.09 4.78 2.91 -1.90 -3.48 115.95 113.20 1bk8 h TRP 10 Ca 0.00 -0.22 -0.41 0.00 1.13 0.00 0.00 58.89 59.39 1bk8 h TRP 10 Cb 0.29 -0.26 0.07 0.00 -0.51 0.00 0.00 29.16 28.76 1bk8 h TRP 10 CO 0.00 1.00 -0.87 0.43 -1.03 0.00 0.00 178.44 177.97 1bk8 n SER 11 N -4.14 -3.03 0.00 2.65 7.64 -0.05 -4.87 113.62 111.83 1bk8 n SER 11 Ca 0.01 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1bk8 n SER 11 Cb 0.41 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 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 -1.61 -0.61 3.87 0.23 0.00 -1.26 -5.12 105.19 100.69 1bk8 n GLY 12 Ca -0.21 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 6.66 0.74 1.61 2.47 -1.26 -4.71 114.94 116.45 1bk8 s ASN 13 Ca 0.00 0.88 -0.16 0.00 0.42 0.00 0.00 52.86 54.01 1bk8 s ASN 13 Cb 0.00 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1bk8 s ASN 13 CO 0.00 0.05 0.86 0.00 -3.72 0.00 0.00 177.10 174.28 1bk8 n GLY 15 N 1.20 -0.00 3.23 0.00 0.00 -1.26 -4.97 105.19 103.38 1bk8 n GLY 15 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.09 -0.33 0.42 1.61 3.84 -1.26 -5.03 114.94 109.09 1bk8 s ASN 16 Ca 0.00 0.87 0.11 0.00 0.21 0.00 0.00 52.86 54.05 1bk8 s ASN 16 Cb 0.00 0.91 0.95 0.00 -0.55 0.00 0.00 41.25 42.56 1bk8 s ASN 16 CO 0.00 -0.21 2.00 0.00 -2.79 0.00 0.00 177.10 176.10 1bk8 h THR 17 N 5.83 0.96 0.00 -5.21 1.03 -1.97 0.89 112.91 114.44 1bk8 h THR 17 Ca -0.29 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 65.94 1bk8 h THR 17 Cb 1.15 0.43 -0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1bk8 h THR 17 CO 0.23 0.09 -0.05 0.00 -0.01 0.00 0.00 175.52 175.79 1bk8 h ALA 18 N 1.70 1.16 0.00 0.00 0.00 -1.96 0.01 119.26 120.16 1bk8 h ALA 18 Ca 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1bk8 h ALA 18 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bk8 h ALA 18 CO -0.07 0.06 -0.49 1.25 0.00 0.00 0.00 179.25 180.00 1bk8 h HIS 19 N 0.00 0.00 -0.93 0.00 6.17 -1.33 -3.38 115.15 115.67 1bk8 h HIS 19 Ca -0.00 0.00 0.24 0.00 0.71 0.00 0.00 60.37 61.32 1bk8 h HIS 19 Cb 0.24 0.00 -0.17 0.00 2.52 0.00 0.00 27.41 30.00 1bk8 h HIS 19 CO 0.00 1.14 0.02 0.00 0.71 0.00 0.00 177.93 179.81 1bk8 h ASP 21 N 0.04 0.85 -0.23 0.00 1.82 -1.16 -1.90 116.42 115.83 1bk8 h ASP 21 Ca 0.55 -0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 57.01 1bk8 h ASP 21 Cb 1.09 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1bk8 h ASP 21 CO -0.86 0.74 -0.06 0.11 -1.61 0.00 0.00 179.24 177.56 1bk8 h LYS 22 N 0.90 0.45 -0.58 0.28 1.57 -0.61 -3.15 116.57 115.44 1bk8 h LYS 22 Ca 0.22 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1bk8 h LYS 22 Cb 0.11 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1bk8 h LYS 22 CO -0.03 0.69 0.32 0.37 -0.57 0.00 0.00 179.45 180.23 1bk8 h GLN 23 N 0.19 0.59 0.00 3.15 5.75 0.05 0.43 115.11 125.27 1bk8 h GLN 23 Ca 0.06 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1bk8 h GLN 23 Cb 0.52 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1bk8 h GLN 23 CO 0.02 0.39 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 1bk8 n GLN 25 N -2.10 0.69 0.16 0.00 6.02 0.65 -1.60 117.38 121.21 1bk8 n GLN 25 Ca 0.01 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1bk8 n GLN 25 Cb 0.14 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.41 0.00 1.08 3.32 0.13 -3.40 116.42 117.14 1bk8 h ASP 26 Ca -0.54 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1bk8 h ASP 26 Cb 1.97 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.63 1bk8 h ASP 26 CO -0.05 0.04 -0.02 -0.50 -1.72 0.00 0.00 179.24 176.99 1bk8 h TRP 27 N -1.05 0.00 -1.21 4.55 4.06 -1.15 -3.47 115.95 117.67 1bk8 h TRP 27 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1bk8 h TRP 27 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1bk8 h TRP 27 CO 0.02 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.29 1bk8 n GLU 28 N -2.38 0.14 -2.72 0.49 -0.58 -1.22 -5.04 120.64 109.34 1bk8 n GLU 28 Ca -0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 1bk8 n GLU 28 Cb 0.01 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 30.98 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 -0.69 1.03 -1.88 3.49 4.01 -0.63 -3.90 118.16 119.60 1bk8 n LYS 29 Ca 0.00 -1.87 -0.29 0.00 -0.51 0.00 0.00 58.31 55.64 1bk8 n LYS 29 Cb 0.00 -0.77 0.10 0.00 -0.51 0.00 0.00 35.03 33.84 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 0.25 2.58 0.22 7.82 0.00 -0.74 -4.96 121.76 126.93 1bk8 s ALA 30 Ca 0.22 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1bk8 s ALA 30 Cb 0.31 -2.96 0.28 0.00 0.00 0.00 0.00 23.12 20.76 1bk8 s ALA 30 CO -0.06 -1.74 1.83 0.77 0.00 0.00 0.00 175.76 176.56 1bk8 h SER 31 N -1.10 0.70 0.00 0.00 0.02 -0.46 -3.41 113.55 109.30 1bk8 h SER 31 Ca -0.46 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1bk8 h SER 31 Cb 1.33 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1bk8 h SER 31 CO 0.65 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.79 1bk8 n HIS 32 N -4.70 0.00 -4.19 3.45 1.44 -0.95 -4.94 115.22 105.33 1bk8 n HIS 32 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.70 1bk8 n HIS 32 Cb 0.17 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.18 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 -0.37 1.36 -0.28 -1.39 0.00 -1.19 -0.49 107.32 104.97 1bk8 s GLY 33 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 42.86 1bk8 s GLY 33 CO 0.00 -1.36 0.96 0.00 0.00 0.00 0.00 173.10 172.70 1bk8 s ALA 34 N -4.15 -2.03 0.35 3.20 0.00 0.37 -3.89 121.76 115.61 1bk8 s ALA 34 Ca 0.37 2.03 -0.25 0.00 0.00 0.00 0.00 51.96 54.11 1bk8 s ALA 34 Cb 0.07 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.60 1bk8 s ALA 34 CO 0.11 -0.29 0.96 0.00 0.00 0.00 0.00 175.76 176.54 1bk8 s HIS 36 N -1.72 -0.02 -0.01 0.00 3.76 0.26 -4.89 115.29 112.67 1bk8 s HIS 36 Ca 0.53 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.17 1bk8 s HIS 36 Cb -0.17 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 1bk8 s HIS 36 CO 0.22 -0.29 0.81 0.21 -0.85 0.00 0.00 174.74 174.84 1bk8 s LYS 37 N -1.26 4.50 -0.00 1.40 2.20 -1.26 -0.29 119.74 125.02 1bk8 s LYS 37 Ca -0.13 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1bk8 s LYS 37 Cb -0.07 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1bk8 s LYS 37 CO 0.02 0.10 -0.01 1.03 -0.36 0.00 0.00 175.35 176.13 1bk8 s ARG 38 N 0.59 0.11 -1.57 4.03 3.00 -0.05 -4.89 118.95 120.17 1bk8 s ARG 38 Ca 0.42 -0.04 -0.08 0.00 0.00 0.00 0.00 55.73 56.03 1bk8 s ARG 38 Cb -0.20 -0.12 0.07 0.00 0.00 0.00 0.00 34.95 34.70 1bk8 s ARG 38 CO 0.23 0.02 0.46 0.39 0.00 0.00 0.00 175.30 176.39 1bk8 n GLU 39 N 3.11 -2.51 0.00 3.54 -0.58 -1.26 -0.17 120.64 122.77 1bk8 n GLU 39 Ca -0.13 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1bk8 n GLU 39 Cb 0.59 -4.52 0.00 0.00 -0.57 0.00 0.00 31.44 26.94 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bk8 n ASN 40 N -2.82 0.00 -4.63 1.62 5.15 -1.26 -4.96 115.26 108.37 1bk8 n ASN 40 Ca -0.16 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.41 1bk8 n ASN 40 Cb 0.61 -0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bk8 s HIS 41 N -1.18 3.28 -0.30 1.20 3.76 0.77 -4.99 115.29 117.84 1bk8 s HIS 41 Ca 0.00 0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 55.48 1bk8 s HIS 41 Cb 0.00 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.78 1bk8 s HIS 41 CO 0.00 -0.36 1.29 -1.58 -0.85 0.00 0.00 174.74 173.24 1bk8 s TRP 42 N 2.60 2.71 -0.08 1.40 0.52 -1.26 -0.87 118.94 123.96 1bk8 s TRP 42 Ca 0.28 0.89 -0.01 0.00 0.02 0.00 0.00 56.10 57.28 1bk8 s TRP 42 Cb -0.15 -3.89 -0.03 0.00 -1.15 0.00 0.00 33.47 28.25 1bk8 s TRP 42 CO 0.09 -1.66 -0.04 0.15 0.02 0.00 0.00 176.95 175.50 1bk8 s LYS 43 N 4.12 2.91 -0.44 4.98 -0.14 0.60 -0.04 119.74 131.72 1bk8 s LYS 43 Ca 0.56 -0.49 -0.28 0.00 -1.36 0.00 0.00 55.97 54.40 1bk8 s LYS 43 Cb -0.17 -2.69 -0.01 0.00 -1.68 0.00 0.00 37.83 33.28 1bk8 s LYS 43 CO 0.22 0.65 1.68 0.00 -0.76 0.00 0.00 175.35 177.15 1bk8 s PHE 45 N 6.99 3.56 0.16 0.00 0.40 -0.31 -2.19 117.98 126.59 1bk8 s PHE 45 Ca 0.69 1.06 0.03 0.00 -0.60 0.00 0.00 56.93 58.11 1bk8 s PHE 45 Cb -0.17 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1bk8 s PHE 45 CO 0.29 0.37 0.27 0.00 0.70 0.00 0.00 175.22 176.85 1bk8 s TYR 47 N -1.76 1.51 0.52 0.00 1.51 0.36 -0.34 117.35 119.15 1bk8 s TYR 47 Ca 0.34 -1.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.09 1bk8 s TYR 47 Cb -0.11 -1.42 0.08 0.00 -0.11 0.00 0.00 41.96 40.40 1bk8 s TYR 47 CO 0.28 -0.76 0.70 1.19 -1.11 0.00 0.00 175.55 175.85 1bk8 n PHE 48 N 4.91 -2.28 -3.75 2.71 3.01 -1.26 0.28 117.46 121.07 1bk8 n PHE 48 Ca -0.06 -1.91 -0.22 0.00 1.01 0.00 0.00 57.45 56.28 1bk8 n PHE 48 Cb 0.44 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.36 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1bk8 n ASN 49 N -2.37 0.40 -0.45 4.37 6.94 -1.26 -3.65 115.26 119.24 1bk8 n ASN 49 Ca 0.14 -0.87 0.14 0.00 -0.02 0.00 0.00 54.58 53.97 1bk8 n ASN 49 Cb 0.54 -1.08 0.55 0.00 -2.36 0.00 0.00 39.78 37.43 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23