#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 9.03 6.24 -0.47 0.00 3.04 -1.26 -4.80 114.94 126.72 1bk8 s ASN 3 Ca 0.84 -0.92 -0.28 0.00 0.04 0.00 0.00 52.86 52.53 1bk8 s ASN 3 Cb -0.07 -2.56 0.01 0.00 -1.54 0.00 0.00 41.25 37.08 1bk8 s ASN 3 CO 0.16 -1.74 1.48 -0.70 -3.04 0.00 0.00 177.10 173.26 1bk8 s GLU 4 N 5.48 3.40 0.20 0.43 2.12 -1.26 -0.88 118.70 128.19 1bk8 s GLU 4 Ca 0.43 0.80 0.10 0.00 0.36 0.00 0.00 54.97 56.66 1bk8 s GLU 4 Cb -0.04 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.21 1bk8 s GLU 4 CO 0.02 -1.80 -0.11 1.03 -0.54 0.00 0.00 175.26 173.87 1bk8 s ARG 5 N 5.34 2.00 1.07 4.30 0.52 0.34 -4.91 118.95 127.61 1bk8 s ARG 5 Ca 0.60 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.29 1bk8 s ARG 5 Cb -0.13 -2.09 0.23 0.00 0.52 0.00 0.00 34.95 33.47 1bk8 s ARG 5 CO 0.29 0.41 1.16 -1.25 0.02 0.00 0.00 175.30 175.94 1bk8 s PRO 6 N -2.99 -0.16 -0.40 3.54 0.04 -1.26 -0.53 135.00 133.23 1bk8 s PRO 6 Ca 0.26 -0.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 1bk8 s PRO 6 Cb -0.08 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1bk8 s PRO 6 CO 0.15 -3.02 2.20 -1.54 0.04 0.00 0.00 177.00 174.83 1bk8 s SER 7 N -4.10 5.04 -0.15 6.66 1.04 -1.02 -4.42 113.70 116.75 1bk8 s SER 7 Ca 0.70 1.25 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 1bk8 s SER 7 Cb -0.10 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.41 1bk8 s SER 7 CO 0.55 -2.39 0.08 1.56 0.98 0.00 0.00 173.24 174.02 1bk8 h GLN 8 N 16.74 0.00 0.14 4.02 4.20 -1.90 -3.41 115.11 134.89 1bk8 h GLN 8 Ca -0.31 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1bk8 h GLN 8 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1bk8 h GLN 8 CO 1.09 0.38 -0.07 1.79 -0.67 0.00 0.00 178.83 181.36 1bk8 h THR 9 N -1.00 0.81 -0.14 -0.54 1.35 -1.95 -3.41 112.91 108.03 1bk8 h THR 9 Ca -0.09 -1.22 -0.38 0.00 -0.55 0.00 0.00 66.41 64.17 1bk8 h THR 9 Cb 0.66 1.40 0.04 0.00 -1.73 0.00 0.00 68.15 68.52 1bk8 h THR 9 CO -0.05 0.23 1.14 1.87 -0.25 0.00 0.00 175.52 178.46 1bk8 n TRP 10 N -4.88 1.37 -1.68 4.73 -0.00 -1.26 -4.81 117.44 110.90 1bk8 n TRP 10 Ca -0.07 -0.96 -0.40 0.00 -0.00 0.00 0.00 57.50 56.07 1bk8 n TRP 10 Cb 0.25 -1.94 -0.01 0.00 -0.00 0.00 0.00 31.31 29.61 1bk8 n TRP 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1bk8 n SER 11 N 12.98 7.67 -0.87 5.87 7.64 -1.26 -4.78 113.62 140.87 1bk8 n SER 11 Ca 0.45 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1bk8 n SER 11 Cb 0.44 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 2.92 1.14 3.83 0.23 0.00 -1.26 -5.16 105.19 106.88 1bk8 n GLY 12 Ca 0.67 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.60 5.49 0.32 1.61 2.47 -1.26 -4.75 114.94 118.22 1bk8 s ASN 13 Ca 0.00 1.54 0.09 0.00 0.42 0.00 0.00 52.86 54.90 1bk8 s ASN 13 Cb 0.00 -2.44 -0.04 0.00 -1.45 0.00 0.00 41.25 37.32 1bk8 s ASN 13 CO 0.00 -1.36 0.10 0.00 -3.72 0.00 0.00 177.10 172.12 1bk8 n GLY 15 N -1.08 -1.03 2.97 0.00 0.00 -1.26 -4.71 105.19 100.08 1bk8 n GLY 15 Ca -0.04 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1bk8 n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bk8 n ASN 16 N -2.77 3.09 -0.02 1.61 2.85 -1.26 -4.69 115.26 114.07 1bk8 n ASN 16 Ca 0.00 -2.75 0.12 0.00 -0.11 0.00 0.00 54.58 51.85 1bk8 n ASN 16 Cb 0.00 -1.35 0.54 0.00 1.24 0.00 0.00 39.78 40.21 1bk8 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bk8 h THR 17 N 4.34 0.90 0.00 -0.44 1.03 -1.97 0.14 112.91 116.91 1bk8 h THR 17 Ca 0.48 -0.10 -0.02 0.00 -0.01 0.00 0.00 66.41 66.75 1bk8 h THR 17 Cb 0.67 0.57 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 1bk8 h THR 17 CO 1.91 0.06 -0.11 0.00 -0.01 0.00 0.00 175.52 177.37 1bk8 h ALA 18 N 1.74 1.50 0.01 0.00 0.00 -1.93 -0.48 119.26 120.10 1bk8 h ALA 18 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bk8 h ALA 18 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bk8 h ALA 18 CO -0.05 0.14 -0.00 1.25 0.00 0.00 0.00 179.25 180.59 1bk8 h HIS 19 N 0.00 -0.01 -0.93 0.00 6.17 -1.20 -3.37 115.15 115.82 1bk8 h HIS 19 Ca -0.00 -0.00 0.27 0.00 0.71 0.00 0.00 60.37 61.35 1bk8 h HIS 19 Cb 0.25 0.00 -0.16 0.00 2.52 0.00 0.00 27.41 30.02 1bk8 h HIS 19 CO 0.00 0.85 0.21 0.00 0.71 0.00 0.00 177.93 179.70 1bk8 h ASP 21 N 0.12 0.10 0.16 0.00 3.58 -1.15 -0.29 116.42 118.94 1bk8 h ASP 21 Ca 0.61 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 1bk8 h ASP 21 Cb 1.30 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1bk8 h ASP 21 CO -0.76 0.21 -0.12 0.11 -2.88 0.00 0.00 179.24 175.80 1bk8 h LYS 22 N -0.01 -0.27 -0.38 0.28 1.57 -0.75 -2.20 116.57 114.81 1bk8 h LYS 22 Ca 0.03 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1bk8 h LYS 22 Cb 0.13 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 1bk8 h LYS 22 CO -0.00 -0.18 -0.33 0.37 -0.57 0.00 0.00 179.45 178.73 1bk8 h GLN 23 N -0.28 -0.26 -0.17 3.15 5.75 -0.67 0.33 115.11 122.96 1bk8 h GLN 23 Ca -0.01 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1bk8 h GLN 23 Cb 0.25 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1bk8 h GLN 23 CO 0.00 -0.17 0.07 0.00 -2.65 0.00 0.00 178.83 176.08 1bk8 h GLN 25 N 0.23 0.39 0.00 0.00 4.20 -0.40 -0.24 115.11 119.29 1bk8 h GLN 25 Ca 0.06 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1bk8 h GLN 25 Cb 0.04 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1bk8 h GLN 25 CO -0.01 1.30 -0.27 -0.44 -0.67 0.00 0.00 178.83 178.74 1bk8 h ASP 26 N 0.11 0.00 0.25 1.46 3.32 -0.15 -3.35 116.42 118.05 1bk8 h ASP 26 Ca -0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1bk8 h ASP 26 Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.65 1bk8 h ASP 26 CO 0.20 0.58 -0.12 -0.50 -1.72 0.00 0.00 179.24 177.68 1bk8 h TRP 27 N -0.90 -0.31 -0.68 4.55 4.06 -0.76 -3.43 115.95 118.49 1bk8 h TRP 27 Ca 0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1bk8 h TRP 27 Cb 0.27 0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1bk8 h TRP 27 CO -0.11 -0.19 0.00 0.39 -3.56 0.00 0.00 178.44 174.97 1bk8 n GLU 28 N -4.52 1.18 -2.74 0.49 1.02 -1.10 -5.05 120.64 109.91 1bk8 n GLU 28 Ca -0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1bk8 n GLU 28 Cb 0.13 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.61 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bk8 n LYS 29 N 0.00 0.75 -3.04 3.49 5.02 -0.42 -4.39 118.16 119.57 1bk8 n LYS 29 Ca 0.00 -1.66 -0.18 0.00 -2.02 0.00 0.00 58.31 54.45 1bk8 n LYS 29 Cb 0.00 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bk8 s ALA 30 N 0.58 4.58 0.19 7.82 0.00 -0.23 -4.96 121.76 129.73 1bk8 s ALA 30 Ca 0.30 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 1bk8 s ALA 30 Cb 0.24 -1.56 0.17 0.00 0.00 0.00 0.00 23.12 21.97 1bk8 s ALA 30 CO -0.21 -0.46 1.78 0.77 0.00 0.00 0.00 175.76 177.65 1bk8 h SER 31 N 0.50 0.38 -5.96 0.00 0.02 -0.49 -3.40 113.55 104.61 1bk8 h SER 31 Ca -0.37 0.03 0.39 0.00 -0.84 0.00 0.00 61.79 61.01 1bk8 h SER 31 Cb 1.28 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.67 1bk8 h SER 31 CO 0.44 0.26 0.98 -1.38 -1.14 0.00 0.00 176.83 175.98 1bk8 s HIS 32 N -6.12 -0.00 0.13 3.45 -3.43 -1.22 -4.93 115.29 103.16 1bk8 s HIS 32 Ca -0.13 -0.02 -0.08 0.00 -0.80 0.00 0.00 55.06 54.03 1bk8 s HIS 32 Cb 0.14 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.80 1bk8 s HIS 32 CO 0.74 -0.06 0.21 0.20 -2.00 0.00 0.00 174.74 173.83 1bk8 s GLY 33 N -3.29 0.37 0.17 -1.38 0.00 -1.26 -0.96 107.32 100.96 1bk8 s GLY 33 Ca 0.20 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 1bk8 s GLY 33 CO -0.05 -0.89 0.85 0.00 0.00 0.00 0.00 173.10 173.01 1bk8 s ALA 34 N -3.93 -1.56 0.45 3.20 0.00 -1.08 -3.44 121.76 115.40 1bk8 s ALA 34 Ca 0.12 0.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 1bk8 s ALA 34 Cb 0.04 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.77 1bk8 s ALA 34 CO -0.05 -0.97 1.05 0.00 0.00 0.00 0.00 175.76 175.79 1bk8 s HIS 36 N -1.84 -0.38 -0.03 0.00 3.76 0.45 -4.88 115.29 112.36 1bk8 s HIS 36 Ca 0.63 0.79 -0.26 0.00 -0.15 0.00 0.00 55.06 56.07 1bk8 s HIS 36 Cb -0.19 0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.63 1bk8 s HIS 36 CO 0.23 -0.34 0.82 0.21 -0.85 0.00 0.00 174.74 174.82 1bk8 s LYS 37 N -0.57 4.49 -0.04 1.40 2.20 -1.26 -0.37 119.74 125.60 1bk8 s LYS 37 Ca -0.07 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1bk8 s LYS 37 Cb -0.04 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1bk8 s LYS 37 CO 0.03 0.02 0.08 1.03 -0.36 0.00 0.00 175.35 176.16 1bk8 s ARG 38 N 0.85 0.00 -1.38 4.03 1.81 0.46 -4.88 118.95 119.85 1bk8 s ARG 38 Ca 0.44 0.32 -0.08 0.00 -1.72 0.00 0.00 55.73 54.68 1bk8 s ARG 38 Cb -0.19 -0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.04 1bk8 s ARG 38 CO 0.23 -0.21 0.40 0.39 -0.68 0.00 0.00 175.30 175.43 1bk8 n GLU 39 N 4.49 -1.96 0.00 3.54 4.71 -1.26 -0.23 120.64 129.93 1bk8 n GLU 39 Ca -0.21 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 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 -2.80 0.00 -4.70 1.62 5.15 -1.26 -4.94 115.26 108.33 1bk8 n ASN 40 Ca -0.26 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.36 1bk8 n ASN 40 Cb 0.66 -0.72 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 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 -0.94 3.38 -0.01 1.20 3.76 0.68 -5.00 115.29 118.37 1bk8 s HIS 41 Ca 0.00 0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 55.01 1bk8 s HIS 41 Cb 0.00 -2.29 -0.05 0.00 1.11 0.00 0.00 32.58 31.35 1bk8 s HIS 41 CO 0.00 0.16 1.32 -1.58 -0.85 0.00 0.00 174.74 173.79 1bk8 s TRP 42 N 0.76 3.03 0.00 1.40 0.52 -1.26 -0.40 118.94 122.99 1bk8 s TRP 42 Ca 0.11 0.99 0.07 0.00 0.02 0.00 0.00 56.10 57.30 1bk8 s TRP 42 Cb -0.13 -3.56 -0.02 0.00 -1.15 0.00 0.00 33.47 28.61 1bk8 s TRP 42 CO 0.03 -1.98 -0.22 0.15 0.02 0.00 0.00 176.95 174.95 1bk8 s LYS 43 N 2.18 1.70 -0.73 4.98 -0.14 0.50 0.82 119.74 129.05 1bk8 s LYS 43 Ca 0.61 -0.85 -0.26 0.00 -1.36 0.00 0.00 55.97 54.10 1bk8 s LYS 43 Cb -0.29 -1.70 -0.00 0.00 -1.68 0.00 0.00 37.83 34.15 1bk8 s LYS 43 CO 0.25 0.46 1.66 0.00 -0.76 0.00 0.00 175.35 176.96 1bk8 s PHE 45 N 7.85 3.24 -0.04 0.00 0.40 -0.49 -2.42 117.98 126.52 1bk8 s PHE 45 Ca 0.56 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 1bk8 s PHE 45 Cb -0.09 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1bk8 s PHE 45 CO 0.13 0.53 0.05 0.00 0.70 0.00 0.00 175.22 176.62 1bk8 s TYR 47 N -1.07 3.25 0.00 0.00 2.02 -0.14 -0.50 117.35 120.91 1bk8 s TYR 47 Ca 0.19 -0.97 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 1bk8 s TYR 47 Cb -0.12 -3.24 0.00 0.00 -0.40 0.00 0.00 41.96 38.21 1bk8 s TYR 47 CO 0.09 -0.82 0.00 1.19 -1.57 0.00 0.00 175.55 174.44 1bk8 n PHE 48 N 5.21 0.00 -0.14 2.71 3.01 -0.06 -0.16 117.46 128.02 1bk8 n PHE 48 Ca -0.13 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.26 1bk8 n PHE 48 Cb 0.43 -0.38 0.03 0.00 -0.01 0.00 0.00 39.48 39.55 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bk8 n ASN 49 N -1.93 4.61 -0.27 4.37 4.13 -1.25 -3.11 115.26 121.81 1bk8 n ASN 49 Ca 0.00 -2.57 0.15 0.00 1.68 0.00 0.00 54.58 53.84 1bk8 n ASN 49 Cb 0.00 -0.85 0.71 0.00 -1.54 0.00 0.00 39.78 38.11 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54