#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 8.69 5.69 -0.03 0.00 3.84 -1.26 -4.78 114.94 127.09 1bk8 s ASN 3 Ca 0.76 -1.10 -0.30 0.00 0.21 0.00 0.00 52.86 52.42 1bk8 s ASN 3 Cb -0.08 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1bk8 s ASN 3 CO 0.02 -2.26 1.24 -0.70 -2.79 0.00 0.00 177.10 172.61 1bk8 s GLU 4 N 6.13 4.35 0.03 0.43 2.12 -1.26 -1.05 118.70 129.45 1bk8 s GLU 4 Ca 0.61 1.75 -0.05 0.00 0.36 0.00 0.00 54.97 57.64 1bk8 s GLU 4 Cb -0.03 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1bk8 s GLU 4 CO -0.03 -0.44 0.08 -0.98 -0.54 0.00 0.00 175.26 173.35 1bk8 s ARG 5 N 2.07 0.52 1.17 4.30 1.70 0.30 -4.99 118.95 124.01 1bk8 s ARG 5 Ca 0.58 -0.65 -0.20 0.00 -0.47 0.00 0.00 55.73 54.99 1bk8 s ARG 5 Cb -0.27 0.20 0.28 0.00 -0.57 0.00 0.00 34.95 34.60 1bk8 s ARG 5 CO 0.24 -0.12 1.19 -1.25 -1.08 0.00 0.00 175.30 174.27 1bk8 s PRO 6 N -2.15 -0.99 -0.34 3.89 0.04 -1.26 -0.54 135.00 133.66 1bk8 s PRO 6 Ca -0.09 -0.29 -0.34 0.00 0.04 0.00 0.00 61.00 60.32 1bk8 s PRO 6 Cb -0.04 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.75 1bk8 s PRO 6 CO -0.03 -3.52 2.20 -1.13 0.04 0.00 0.00 177.00 174.57 1bk8 n SER 7 N -4.58 2.26 0.00 6.66 3.41 -0.54 -4.46 113.62 116.37 1bk8 n SER 7 Ca 0.15 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1bk8 n SER 7 Cb 0.60 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1bk8 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk8 n GLN 8 N 8.28 0.00 0.17 4.33 6.02 -1.26 -4.49 117.38 130.43 1bk8 n GLN 8 Ca 0.40 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.42 1bk8 n GLN 8 Cb 0.26 -0.20 0.25 0.00 1.02 0.00 0.00 30.24 31.57 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1bk8 h THR 9 N 0.00 1.06 0.00 5.09 1.35 -1.96 -3.15 112.91 115.31 1bk8 h THR 9 Ca 0.00 -1.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.03 1bk8 h THR 9 Cb 0.00 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1bk8 h THR 9 CO 0.00 0.46 -0.15 -0.25 -0.25 0.00 0.00 175.52 175.33 1bk8 h TRP 10 N 0.00 0.00 -6.66 4.73 2.91 -1.94 -3.46 115.95 111.53 1bk8 h TRP 10 Ca -0.00 0.00 -0.53 0.00 1.13 0.00 0.00 58.89 59.48 1bk8 h TRP 10 Cb 1.01 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.63 1bk8 h TRP 10 CO 0.00 0.15 -0.95 0.43 -1.03 0.00 0.00 178.44 177.04 1bk8 n SER 11 N -4.27 -2.41 0.00 2.65 7.64 -1.19 -4.84 113.62 111.20 1bk8 n SER 11 Ca -0.02 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1bk8 n SER 11 Cb 0.22 -2.48 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 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 -2.05 -0.61 3.88 0.23 0.00 -1.26 -5.14 105.19 100.23 1bk8 n GLY 12 Ca -0.20 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 6.50 0.31 1.61 2.47 -1.26 -4.70 114.94 115.87 1bk8 s ASN 13 Ca 0.00 1.11 0.10 0.00 0.42 0.00 0.00 52.86 54.49 1bk8 s ASN 13 Cb 0.00 -2.31 -0.06 0.00 -1.45 0.00 0.00 41.25 37.43 1bk8 s ASN 13 CO 0.00 -0.41 -0.12 0.00 -3.72 0.00 0.00 177.10 172.84 1bk8 n GLY 15 N -0.68 -0.76 3.37 0.00 0.00 -1.26 -4.67 105.19 101.19 1bk8 n GLY 15 Ca -0.05 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.50 3.54 -0.18 1.61 2.85 -1.26 -4.74 115.26 114.58 1bk8 n ASN 16 Ca 0.00 -2.77 0.15 0.00 -0.11 0.00 0.00 54.58 51.85 1bk8 n ASN 16 Cb 0.00 -1.60 0.49 0.00 1.24 0.00 0.00 39.78 39.91 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 5.37 0.80 0.00 -0.44 1.03 -1.96 0.12 112.91 117.83 1bk8 h THR 17 Ca 0.37 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 66.58 1bk8 h THR 17 Cb 0.82 0.31 -0.00 0.00 -1.07 0.00 0.00 68.15 68.21 1bk8 h THR 17 CO 1.53 0.08 -0.16 0.00 -0.01 0.00 0.00 175.52 176.97 1bk8 h ALA 18 N 1.64 1.39 0.03 0.00 0.00 -1.97 0.06 119.26 120.42 1bk8 h ALA 18 Ca 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1bk8 h ALA 18 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bk8 h ALA 18 CO -0.13 0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.55 1bk8 h HIS 19 N 0.00 -0.04 -0.86 0.00 6.17 -1.27 -3.36 115.15 115.80 1bk8 h HIS 19 Ca -0.00 -0.00 0.21 0.00 0.71 0.00 0.00 60.37 61.28 1bk8 h HIS 19 Cb 0.36 0.01 -0.15 0.00 2.52 0.00 0.00 27.41 30.15 1bk8 h HIS 19 CO 0.00 0.64 -0.01 0.00 0.71 0.00 0.00 177.93 179.27 1bk8 h ASP 21 N 0.06 0.79 0.16 0.00 3.58 -1.16 -1.55 116.42 118.31 1bk8 h ASP 21 Ca 0.48 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1bk8 h ASP 21 Cb 0.89 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1bk8 h ASP 21 CO -0.79 0.78 -0.08 0.11 -2.88 0.00 0.00 179.24 176.38 1bk8 h LYS 22 N 0.82 -0.21 -0.40 0.28 1.57 -0.63 -3.22 116.57 114.77 1bk8 h LYS 22 Ca 0.18 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 1bk8 h LYS 22 Cb 0.30 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 1bk8 h LYS 22 CO -0.00 0.07 -0.18 0.37 -0.57 0.00 0.00 179.45 179.14 1bk8 h GLN 23 N -0.49 -0.10 0.00 3.15 5.75 -0.25 0.35 115.11 123.53 1bk8 h GLN 23 Ca -0.02 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1bk8 h GLN 23 Cb 0.38 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1bk8 h GLN 23 CO 0.04 -0.07 -0.15 0.00 -2.65 0.00 0.00 178.83 176.00 1bk8 h GLN 25 N 0.00 0.17 0.00 0.00 4.20 -0.80 -0.48 115.11 118.19 1bk8 h GLN 25 Ca -0.00 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 1bk8 h GLN 25 Cb 0.29 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1bk8 h GLN 25 CO 0.02 1.00 -0.27 -0.44 -0.67 0.00 0.00 178.83 178.46 1bk8 h ASP 26 N 0.05 0.00 0.06 1.46 3.32 0.10 -3.36 116.42 118.04 1bk8 h ASP 26 Ca -0.21 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1bk8 h ASP 26 Cb 1.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1bk8 h ASP 26 CO 0.14 0.65 -0.03 -0.50 -1.72 0.00 0.00 179.24 177.79 1bk8 h TRP 27 N -1.00 -0.08 -0.45 4.55 4.06 -0.86 -3.44 115.95 118.73 1bk8 h TRP 27 Ca -0.01 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1bk8 h TRP 27 Cb 0.29 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1bk8 h TRP 27 CO -0.10 0.41 0.00 0.39 -3.56 0.00 0.00 178.44 175.58 1bk8 n GLU 28 N -4.78 2.05 -2.70 0.49 4.71 -1.20 -5.06 120.64 114.16 1bk8 n GLU 28 Ca -0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.02 1bk8 n GLU 28 Cb 0.25 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 30.80 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1bk8 n LYS 29 N 0.00 1.15 -1.63 3.49 4.76 -0.66 -4.49 118.16 120.78 1bk8 n LYS 29 Ca 0.00 -1.75 -0.30 0.00 -2.87 0.00 0.00 58.31 53.39 1bk8 n LYS 29 Cb 0.00 -0.03 0.08 0.00 -1.84 0.00 0.00 35.03 33.24 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bk8 s ALA 30 N 0.19 2.40 0.19 7.82 0.00 -0.28 -4.96 121.76 127.13 1bk8 s ALA 30 Ca 0.21 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1bk8 s ALA 30 Cb 0.38 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 20.55 1bk8 s ALA 30 CO -0.09 -1.59 1.84 0.77 0.00 0.00 0.00 175.76 176.69 1bk8 h SER 31 N -0.99 0.66 -1.75 0.00 0.02 -0.37 -3.40 113.55 107.72 1bk8 h SER 31 Ca -0.46 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1bk8 h SER 31 Cb 1.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1bk8 h SER 31 CO 0.60 0.47 0.22 0.00 -1.14 0.00 0.00 176.83 176.98 1bk8 n HIS 32 N -4.69 -1.29 -4.21 3.45 1.44 -1.08 -4.92 115.22 103.92 1bk8 n HIS 32 Ca 0.05 -0.77 -0.12 0.00 -2.01 0.00 0.00 57.72 54.87 1bk8 n HIS 32 Cb 0.06 0.38 -0.10 0.00 0.12 0.00 0.00 29.99 30.45 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 -2.37 1.17 -0.28 -1.39 0.00 -1.24 -0.94 107.32 102.27 1bk8 s GLY 33 Ca 0.10 -1.56 -0.25 0.00 0.00 0.00 0.00 44.72 43.01 1bk8 s GLY 33 CO 0.04 -1.47 0.91 0.00 0.00 0.00 0.00 173.10 172.58 1bk8 s ALA 34 N -3.81 -1.90 0.27 3.20 0.00 0.44 -4.01 121.76 115.94 1bk8 s ALA 34 Ca 0.25 1.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.87 1bk8 s ALA 34 Cb 0.07 -1.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 1bk8 s ALA 34 CO 0.04 -0.28 1.10 0.00 0.00 0.00 0.00 175.76 176.61 1bk8 s HIS 36 N -1.04 0.11 0.01 0.00 3.76 0.34 -4.88 115.29 113.60 1bk8 s HIS 36 Ca 0.45 -0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.87 1bk8 s HIS 36 Cb -0.32 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1bk8 s HIS 36 CO 0.40 -0.10 0.81 0.21 -0.85 0.00 0.00 174.74 175.21 1bk8 s LYS 37 N -0.71 4.51 -0.19 1.40 2.20 -1.26 -0.15 119.74 125.53 1bk8 s LYS 37 Ca -0.08 1.12 -0.09 0.00 -0.36 0.00 0.00 55.97 56.56 1bk8 s LYS 37 Cb -0.05 -3.41 0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1bk8 s LYS 37 CO -0.00 0.15 0.44 1.03 -0.36 0.00 0.00 175.35 176.60 1bk8 s ARG 38 N 0.41 0.40 -1.50 4.03 1.81 0.10 -4.83 118.95 119.38 1bk8 s ARG 38 Ca 0.42 0.92 -0.14 0.00 -1.72 0.00 0.00 55.73 55.20 1bk8 s ARG 38 Cb -0.20 0.12 0.12 0.00 -0.45 0.00 0.00 34.95 34.53 1bk8 s ARG 38 CO 0.23 -0.19 0.68 0.39 -0.68 0.00 0.00 175.30 175.74 1bk8 n GLU 39 N 4.64 -3.47 -1.58 3.54 4.71 -1.26 -0.45 120.64 126.77 1bk8 n GLU 39 Ca -0.18 0.42 -0.20 0.00 -0.01 0.00 0.00 57.16 57.19 1bk8 n GLU 39 Cb 0.54 -5.16 -0.08 0.00 -1.01 0.00 0.00 31.44 25.72 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 -2.50 -5.39 -4.25 1.62 5.15 -1.26 -4.99 115.26 103.64 1bk8 n ASN 40 Ca 0.04 0.49 -0.34 0.00 -0.60 0.00 0.00 54.58 54.17 1bk8 n ASN 40 Cb 0.51 -4.63 -0.15 0.00 -0.53 0.00 0.00 39.78 34.98 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 -2.74 2.87 -0.32 1.20 3.76 0.41 -5.08 115.29 115.39 1bk8 s HIS 41 Ca 0.00 -1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 53.47 1bk8 s HIS 41 Cb 0.00 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1bk8 s HIS 41 CO 0.00 -0.59 1.32 -1.58 -0.85 0.00 0.00 174.74 173.03 1bk8 s TRP 42 N 1.25 2.64 -0.04 1.40 0.52 -1.26 -0.72 118.94 122.74 1bk8 s TRP 42 Ca 0.03 0.83 0.01 0.00 0.02 0.00 0.00 56.10 56.99 1bk8 s TRP 42 Cb -0.14 -3.99 -0.03 0.00 -1.15 0.00 0.00 33.47 28.16 1bk8 s TRP 42 CO -0.05 -1.75 -0.04 0.15 0.02 0.00 0.00 176.95 175.27 1bk8 s LYS 43 N 4.31 2.74 -0.56 4.98 -0.14 0.78 0.57 119.74 132.42 1bk8 s LYS 43 Ca 0.57 -0.59 -0.28 0.00 -1.36 0.00 0.00 55.97 54.32 1bk8 s LYS 43 Cb -0.16 -2.62 0.01 0.00 -1.68 0.00 0.00 37.83 33.38 1bk8 s LYS 43 CO 0.25 0.64 1.48 0.00 -0.76 0.00 0.00 175.35 176.96 1bk8 s PHE 45 N 6.39 3.48 0.16 0.00 0.40 0.28 -1.47 117.98 127.23 1bk8 s PHE 45 Ca 0.55 1.23 0.11 0.00 -0.60 0.00 0.00 56.93 58.22 1bk8 s PHE 45 Cb -0.12 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 1bk8 s PHE 45 CO 0.25 0.21 -0.25 0.00 0.70 0.00 0.00 175.22 176.12 1bk8 s TYR 47 N -1.38 1.68 0.00 0.00 1.51 -0.11 -0.54 117.35 118.51 1bk8 s TYR 47 Ca 0.17 -1.56 0.00 0.00 -1.01 0.00 0.00 57.07 54.68 1bk8 s TYR 47 Cb -0.09 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1bk8 s TYR 47 CO 0.08 -0.80 0.00 1.19 -1.11 0.00 0.00 175.55 174.91 1bk8 n PHE 48 N 4.86 0.00 -0.07 2.71 3.01 -0.21 0.09 117.46 127.84 1bk8 n PHE 48 Ca -0.05 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.34 1bk8 n PHE 48 Cb 0.44 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.27 4.45 0.00 4.37 4.13 -1.24 -3.42 115.26 122.28 1bk8 n ASN 49 Ca 0.00 -2.55 0.05 0.00 1.68 0.00 0.00 54.58 53.76 1bk8 n ASN 49 Cb 0.00 -0.82 0.30 0.00 -1.54 0.00 0.00 39.78 37.72 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54