#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 8.58 5.83 0.02 0.00 3.04 0.74 -4.83 114.94 128.32 1bk8 s ASN 3 Ca 0.73 -1.58 -0.30 0.00 0.04 0.00 0.00 52.86 51.74 1bk8 s ASN 3 Cb -0.10 -2.58 -0.05 0.00 -1.54 0.00 0.00 41.25 36.99 1bk8 s ASN 3 CO 0.09 -2.18 1.23 -0.70 -3.04 0.00 0.00 177.10 172.50 1bk8 s GLU 4 N 5.71 4.38 0.02 0.43 2.12 -1.26 -0.78 118.70 129.32 1bk8 s GLU 4 Ca 0.60 1.77 -0.03 0.00 0.36 0.00 0.00 54.97 57.67 1bk8 s GLU 4 Cb -0.01 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1bk8 s GLU 4 CO 0.04 -0.36 0.05 -0.98 -0.54 0.00 0.00 175.26 173.46 1bk8 s ARG 5 N 1.60 0.43 1.20 4.30 1.70 0.39 -4.99 118.95 123.58 1bk8 s ARG 5 Ca 0.59 -0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 55.06 1bk8 s ARG 5 Cb -0.28 0.16 0.29 0.00 -0.57 0.00 0.00 34.95 34.55 1bk8 s ARG 5 CO 0.27 -0.09 1.13 -1.25 -1.08 0.00 0.00 175.30 174.28 1bk8 s PRO 6 N -1.73 -1.24 -0.42 3.89 0.04 -1.26 -0.73 135.00 133.55 1bk8 s PRO 6 Ca -0.13 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 60.46 1bk8 s PRO 6 Cb -0.07 -1.60 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 1bk8 s PRO 6 CO -0.01 -3.71 2.34 -1.13 0.04 0.00 0.00 177.00 174.53 1bk8 n SER 7 N -4.74 2.44 -0.08 6.66 3.41 -0.64 -4.41 113.62 116.26 1bk8 n SER 7 Ca 0.14 -0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 1bk8 n SER 7 Cb 0.60 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.97 1bk8 n SER 7 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1bk8 h GLN 8 N 16.45 0.00 0.25 4.33 4.20 -1.90 -3.42 115.11 135.02 1bk8 h GLN 8 Ca -0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1bk8 h GLN 8 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1bk8 h GLN 8 CO 1.09 0.80 -0.12 1.79 -0.67 0.00 0.00 178.83 181.72 1bk8 h THR 9 N -1.00 0.00 -0.13 -0.54 1.35 -1.88 -3.41 112.91 107.29 1bk8 h THR 9 Ca -0.16 -0.67 -0.39 0.00 -0.55 0.00 0.00 66.41 64.64 1bk8 h THR 9 Cb 0.99 0.00 0.04 0.00 -1.73 0.00 0.00 68.15 67.46 1bk8 h THR 9 CO -0.10 0.00 1.16 1.87 -0.25 0.00 0.00 175.52 178.21 1bk8 n TRP 10 N -4.77 1.33 -1.70 4.73 -0.00 -1.26 -4.82 117.44 110.95 1bk8 n TRP 10 Ca -0.04 -0.95 -0.41 0.00 -0.00 0.00 0.00 57.50 56.10 1bk8 n TRP 10 Cb 0.13 -1.90 -0.01 0.00 -0.00 0.00 0.00 31.31 29.53 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 12.80 5.88 0.00 5.87 7.64 -1.26 -4.73 113.62 139.83 1bk8 n SER 11 Ca 0.46 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1bk8 n SER 11 Cb 0.44 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 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 3.58 1.14 3.90 0.23 0.00 -1.26 -5.16 105.19 107.62 1bk8 n GLY 12 Ca 0.60 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 2.00 6.48 0.19 1.61 2.47 -1.26 -4.68 114.94 121.75 1bk8 s ASN 13 Ca 0.00 0.59 0.08 0.00 0.42 0.00 0.00 52.86 53.95 1bk8 s ASN 13 Cb 0.00 -2.09 -0.04 0.00 -1.45 0.00 0.00 41.25 37.67 1bk8 s ASN 13 CO 0.00 0.02 -0.05 0.00 -3.72 0.00 0.00 177.10 173.35 1bk8 n GLY 15 N -0.13 -1.14 3.58 0.00 0.00 -1.26 -4.75 105.19 101.49 1bk8 n GLY 15 Ca -0.10 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 5.72 0.54 1.61 3.84 -1.26 -4.77 114.94 118.62 1bk8 s ASN 16 Ca 0.00 -1.82 0.28 0.00 0.21 0.00 0.00 52.86 51.53 1bk8 s ASN 16 Cb 0.00 -2.58 1.58 0.00 -0.55 0.00 0.00 41.25 39.69 1bk8 s ASN 16 CO 0.00 -2.33 2.13 0.00 -2.79 0.00 0.00 177.10 174.11 1bk8 h THR 17 N 6.11 0.54 0.20 -5.21 1.03 -1.97 0.81 112.91 114.42 1bk8 h THR 17 Ca 0.28 -0.37 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 1bk8 h THR 17 Cb 0.93 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.25 1bk8 h THR 17 CO 1.31 0.08 -0.10 0.00 -0.01 0.00 0.00 175.52 176.81 1bk8 h ALA 18 N 1.92 -0.27 -0.62 0.00 0.00 -1.94 -0.64 119.26 117.71 1bk8 h ALA 18 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1bk8 h ALA 18 Cb 0.23 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1bk8 h ALA 18 CO 0.01 -0.56 0.30 1.25 0.00 0.00 0.00 179.25 180.25 1bk8 h HIS 19 N -0.46 0.54 -0.46 0.00 6.17 -1.62 -0.18 115.15 119.14 1bk8 h HIS 19 Ca -0.03 0.03 0.09 0.00 0.71 0.00 0.00 60.37 61.17 1bk8 h HIS 19 Cb 0.35 -0.15 -0.09 0.00 2.52 0.00 0.00 27.41 30.04 1bk8 h HIS 19 CO -0.01 0.22 -0.16 0.00 0.71 0.00 0.00 177.93 178.69 1bk8 h ASP 21 N -0.06 0.82 -0.10 0.00 3.58 -0.00 -0.96 116.42 119.70 1bk8 h ASP 21 Ca 0.22 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1bk8 h ASP 21 Cb 0.40 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1bk8 h ASP 21 CO -0.51 0.74 -0.01 0.11 -2.88 0.00 0.00 179.24 176.70 1bk8 h LYS 22 N 0.88 0.01 -1.53 0.28 1.57 0.29 0.08 116.57 118.15 1bk8 h LYS 22 Ca 0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1bk8 h LYS 22 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bk8 h LYS 22 CO -0.02 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 179.91 1bk8 n GLN 23 N -5.13 0.80 0.00 3.15 6.02 0.32 -0.22 117.38 122.33 1bk8 n GLN 23 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1bk8 n GLN 23 Cb 0.07 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1bk8 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bk8 h GLN 25 N 0.00 0.34 0.00 0.00 4.20 -0.74 0.36 115.11 119.26 1bk8 h GLN 25 Ca 0.00 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1bk8 h GLN 25 Cb 0.00 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1bk8 h GLN 25 CO 0.00 0.99 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.58 1bk8 h ASP 26 N -0.20 0.00 0.26 1.46 3.32 -0.80 -3.31 116.42 117.14 1bk8 h ASP 26 Ca -0.04 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1bk8 h ASP 26 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1bk8 h ASP 26 CO 0.08 0.75 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.73 1bk8 h TRP 27 N -1.00 -0.32 0.00 4.55 4.06 -1.74 -3.40 115.95 118.09 1bk8 h TRP 27 Ca -0.02 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1bk8 h TRP 27 Cb 0.46 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1bk8 h TRP 27 CO 0.07 -0.04 0.00 0.39 -3.56 0.00 0.00 178.44 175.31 1bk8 n GLU 28 N -5.01 0.00 0.00 0.49 1.02 -1.22 -4.98 120.64 110.94 1bk8 n GLU 28 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1bk8 n GLU 28 Cb 0.22 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.20 0.00 -3.54 3.49 5.02 0.92 -4.99 118.16 118.86 1bk8 n LYS 29 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1bk8 n LYS 29 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 0.00 4.12 0.14 7.82 0.00 0.65 -4.96 121.76 129.53 1bk8 s ALA 30 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 51.96 50.19 1bk8 s ALA 30 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1bk8 s ALA 30 CO 0.00 -0.07 1.74 0.77 0.00 0.00 0.00 175.76 178.20 1bk8 h SER 31 N 1.00 0.05 -2.73 0.00 0.02 -0.24 -3.37 113.55 108.27 1bk8 h SER 31 Ca -0.44 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1bk8 h SER 31 Cb 1.26 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1bk8 h SER 31 CO 0.54 0.06 0.21 0.00 -1.14 0.00 0.00 176.83 176.50 1bk8 n HIS 32 N -5.07 -2.10 -4.40 3.45 1.44 -1.03 -4.89 115.22 102.62 1bk8 n HIS 32 Ca -0.01 -1.59 -0.20 0.00 -2.01 0.00 0.00 57.72 53.91 1bk8 n HIS 32 Cb 0.11 0.76 -0.10 0.00 0.12 0.00 0.00 29.99 30.88 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 -2.75 1.77 -0.24 -1.39 0.00 -1.26 -0.68 107.32 102.77 1bk8 s GLY 33 Ca 0.14 -1.87 -0.26 0.00 0.00 0.00 0.00 44.72 42.73 1bk8 s GLY 33 CO 0.10 -1.80 0.82 0.00 0.00 0.00 0.00 173.10 172.23 1bk8 s ALA 34 N -3.12 -1.84 0.32 3.20 0.00 0.31 -4.27 121.76 116.35 1bk8 s ALA 34 Ca 0.29 1.88 -0.28 0.00 0.00 0.00 0.00 51.96 53.85 1bk8 s ALA 34 Cb 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.99 1bk8 s ALA 34 CO 0.11 -0.31 1.10 0.00 0.00 0.00 0.00 175.76 176.66 1bk8 s HIS 36 N -1.29 0.02 -0.13 0.00 3.76 0.52 -4.89 115.29 113.28 1bk8 s HIS 36 Ca 0.48 -0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 55.08 1bk8 s HIS 36 Cb -0.30 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.34 1bk8 s HIS 36 CO 0.38 -0.25 0.85 0.21 -0.85 0.00 0.00 174.74 175.08 1bk8 s LYS 37 N -1.15 4.35 -0.06 1.40 2.20 -1.26 -0.06 119.74 125.17 1bk8 s LYS 37 Ca -0.12 1.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1bk8 s LYS 37 Cb -0.07 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1bk8 s LYS 37 CO 0.01 -0.25 0.00 0.50 -0.36 0.00 0.00 175.35 175.25 1bk8 s ARG 38 N 1.87 0.49 -1.57 4.03 6.06 0.12 -4.82 118.95 125.12 1bk8 s ARG 38 Ca 0.41 0.11 -0.14 0.00 -2.50 0.00 0.00 55.73 53.61 1bk8 s ARG 38 Cb -0.17 -0.81 0.10 0.00 0.06 0.00 0.00 34.95 34.13 1bk8 s ARG 38 CO 0.15 -0.25 0.87 0.39 -2.50 0.00 0.00 175.30 173.96 1bk8 n GLU 39 N 4.87 -4.58 -1.57 5.12 1.02 -1.26 -0.48 120.64 123.76 1bk8 n GLU 39 Ca -0.12 0.51 -0.19 0.00 -0.02 0.00 0.00 57.16 57.34 1bk8 n GLU 39 Cb 0.50 -5.29 -0.08 0.00 -0.02 0.00 0.00 31.44 26.56 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1bk8 n ASN 40 N -2.80 -5.29 -4.17 1.62 5.15 -1.26 -4.99 115.26 103.52 1bk8 n ASN 40 Ca 0.01 0.46 -0.33 0.00 -0.60 0.00 0.00 54.58 54.12 1bk8 n ASN 40 Cb 0.53 -4.45 -0.16 0.00 -0.53 0.00 0.00 39.78 35.17 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 -2.71 2.81 -0.45 1.20 3.76 0.37 -5.09 115.29 115.18 1bk8 s HIS 41 Ca 0.00 -1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 53.18 1bk8 s HIS 41 Cb 0.00 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1bk8 s HIS 41 CO 0.00 -0.72 1.41 -1.58 -0.85 0.00 0.00 174.74 173.00 1bk8 s TRP 42 N 1.26 2.37 -0.04 1.40 0.52 -1.26 -0.70 118.94 122.49 1bk8 s TRP 42 Ca 0.04 0.63 -0.03 0.00 0.02 0.00 0.00 56.10 56.76 1bk8 s TRP 42 Cb -0.14 -4.33 -0.04 0.00 -1.15 0.00 0.00 33.47 27.81 1bk8 s TRP 42 CO -0.09 -1.97 0.11 0.15 0.02 0.00 0.00 176.95 175.17 1bk8 s LYS 43 N 5.09 3.23 -0.51 4.98 -0.14 0.92 0.65 119.74 133.97 1bk8 s LYS 43 Ca 0.59 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 54.57 1bk8 s LYS 43 Cb -0.13 -2.99 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1bk8 s LYS 43 CO 0.31 0.69 1.52 0.00 -0.76 0.00 0.00 175.35 177.11 1bk8 s PHE 45 N 6.41 3.76 0.13 0.00 0.40 0.16 -1.62 117.98 127.22 1bk8 s PHE 45 Ca 0.59 1.41 0.06 0.00 -0.60 0.00 0.00 56.93 58.40 1bk8 s PHE 45 Cb -0.13 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1bk8 s PHE 45 CO 0.27 0.46 -0.00 0.00 0.70 0.00 0.00 175.22 176.65 1bk8 s TYR 47 N -1.51 1.63 0.51 0.00 1.51 0.14 -0.46 117.35 119.18 1bk8 s TYR 47 Ca 0.26 -1.51 0.05 0.00 -1.01 0.00 0.00 57.07 54.86 1bk8 s TYR 47 Cb -0.10 -1.52 0.09 0.00 -0.11 0.00 0.00 41.96 40.32 1bk8 s TYR 47 CO 0.18 -0.79 0.71 1.19 -1.11 0.00 0.00 175.55 175.73 1bk8 n PHE 48 N 4.87 -2.67 -1.09 2.71 3.01 0.04 0.51 117.46 124.85 1bk8 n PHE 48 Ca -0.05 -1.59 -0.07 0.00 1.01 0.00 0.00 57.45 56.75 1bk8 n PHE 48 Cb 0.44 -0.50 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 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 -2.64 -4.35 0.00 4.37 4.13 -1.26 -0.18 115.26 115.32 1bk8 n ASN 49 Ca 0.13 0.18 0.13 0.00 1.68 0.00 0.00 54.58 56.71 1bk8 n ASN 49 Cb 0.48 -3.25 0.78 0.00 -1.54 0.00 0.00 39.78 36.25 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54