#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 5.34 7.37 -3.07 0.00 3.02 -1.09 -4.66 115.26 122.18 1bk8 n ASN 3 Ca 0.56 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1bk8 n ASN 3 Cb 0.29 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1bk8 n ASN 3 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1bk8 n GLU 4 N 2.85 -0.59 -3.85 3.52 2.13 -1.17 -4.38 120.64 119.13 1bk8 n GLU 4 Ca 0.63 0.90 -0.12 0.00 0.66 0.00 0.00 57.16 59.24 1bk8 n GLU 4 Cb 0.48 -0.89 -0.10 0.00 0.27 0.00 0.00 31.44 31.20 1bk8 n GLU 4 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1bk8 s ARG 5 N -0.63 0.41 0.90 5.31 1.70 0.60 -4.98 118.95 122.26 1bk8 s ARG 5 Ca 0.00 -0.22 -0.12 0.00 -0.47 0.00 0.00 55.73 54.92 1bk8 s ARG 5 Cb 0.00 0.18 0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1bk8 s ARG 5 CO 0.00 -0.09 1.10 -1.25 -1.08 0.00 0.00 175.30 173.98 1bk8 s PRO 6 N -0.98 1.20 -0.51 3.89 0.04 -1.26 -0.45 135.00 136.93 1bk8 s PRO 6 Ca -0.11 0.64 -0.34 0.00 0.04 0.00 0.00 61.00 61.23 1bk8 s PRO 6 Cb -0.06 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 1bk8 s PRO 6 CO 0.01 -2.24 1.88 -1.13 0.04 0.00 0.00 177.00 175.57 1bk8 n SER 7 N -3.85 0.54 -0.11 6.66 3.41 0.10 -4.67 113.62 115.70 1bk8 n SER 7 Ca 0.06 0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 58.90 1bk8 n SER 7 Cb 0.56 -0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 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 6.41 0.61 -0.01 4.33 1.13 -1.26 -4.46 117.38 124.13 1bk8 n GLN 8 Ca 0.48 0.36 -0.12 0.00 -1.94 0.00 0.00 57.00 55.78 1bk8 n GLN 8 Cb -0.02 -1.60 -0.09 0.00 0.11 0.00 0.00 30.24 28.63 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1bk8 h THR 9 N -0.77 1.24 -0.01 5.09 1.35 -1.98 -3.36 112.91 114.46 1bk8 h THR 9 Ca -0.54 -1.48 -0.03 0.00 -0.55 0.00 0.00 66.41 63.80 1bk8 h THR 9 Cb 1.59 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.14 1bk8 h THR 9 CO -0.26 0.34 -0.15 -0.25 -0.25 0.00 0.00 175.52 174.96 1bk8 h TRP 10 N -0.80 0.02 -6.46 4.73 2.91 -1.95 -3.46 115.95 110.93 1bk8 h TRP 10 Ca -0.01 -0.00 -0.49 0.00 1.13 0.00 0.00 58.89 59.52 1bk8 h TRP 10 Cb 0.63 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 1bk8 h TRP 10 CO 0.14 0.17 -0.93 0.43 -1.03 0.00 0.00 178.44 177.22 1bk8 n SER 11 N -4.35 -2.76 0.00 2.65 7.64 -1.26 -4.87 113.62 110.67 1bk8 n SER 11 Ca -0.02 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1bk8 n SER 11 Cb 0.22 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 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 -1.90 -0.67 3.85 0.23 0.00 -1.26 -5.13 105.19 100.31 1bk8 n GLY 12 Ca -0.20 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 6.65 0.71 1.61 2.47 -1.26 -4.63 114.94 116.49 1bk8 s ASN 13 Ca 0.00 1.47 -0.16 0.00 0.42 0.00 0.00 52.86 54.59 1bk8 s ASN 13 Cb 0.00 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1bk8 s ASN 13 CO 0.00 -0.49 1.02 0.00 -3.72 0.00 0.00 177.10 173.91 1bk8 n GLY 15 N 1.06 -0.03 2.98 0.00 0.00 -1.26 -5.00 105.19 102.93 1bk8 n GLY 15 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.22 0.33 0.44 1.61 3.84 -1.26 -5.03 114.94 109.65 1bk8 s ASN 16 Ca 0.00 0.52 0.11 0.00 0.21 0.00 0.00 52.86 53.70 1bk8 s ASN 16 Cb 0.00 0.56 0.99 0.00 -0.55 0.00 0.00 41.25 42.25 1bk8 s ASN 16 CO 0.00 -0.23 2.07 0.00 -2.79 0.00 0.00 177.10 176.15 1bk8 h THR 17 N 6.24 1.04 0.00 -5.21 1.03 -1.97 0.11 112.91 114.15 1bk8 h THR 17 Ca -0.19 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1bk8 h THR 17 Cb 1.12 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1bk8 h THR 17 CO 0.18 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 175.76 1bk8 h ALA 18 N 1.80 1.00 0.03 0.00 0.00 -1.96 0.07 119.26 120.21 1bk8 h ALA 18 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1bk8 h ALA 18 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1bk8 h ALA 18 CO -0.03 0.00 -1.54 1.58 0.00 0.00 0.00 179.25 179.26 1bk8 n HIS 19 N -2.57 1.01 -0.28 0.00 -0.00 0.18 -4.17 115.22 109.39 1bk8 n HIS 19 Ca 0.00 0.37 0.03 0.00 -0.00 0.00 0.00 57.72 58.12 1bk8 n HIS 19 Cb 0.19 -1.11 0.12 0.00 -0.00 0.00 0.00 29.99 29.19 1bk8 n HIS 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bk8 h ASP 21 N 0.02 0.29 0.34 0.00 3.58 -1.17 -0.18 116.42 119.29 1bk8 h ASP 21 Ca 0.40 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 1bk8 h ASP 21 Cb 0.64 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1bk8 h ASP 21 CO -0.80 0.38 -0.16 0.11 -2.88 0.00 0.00 179.24 175.88 1bk8 h LYS 22 N 0.30 -0.44 -0.55 0.28 1.57 -0.98 -3.18 116.57 113.56 1bk8 h LYS 22 Ca 0.07 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.99 1bk8 h LYS 22 Cb 0.27 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 1bk8 h LYS 22 CO 0.01 -0.14 -0.19 1.96 -0.57 0.00 0.00 179.45 180.52 1bk8 h GLN 23 N -0.98 -0.06 -0.97 3.15 1.08 -0.41 0.35 115.11 117.27 1bk8 h GLN 23 Ca -0.05 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.32 1bk8 h GLN 23 Cb 0.51 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.86 1bk8 h GLN 23 CO 0.08 -0.04 0.58 0.00 -0.95 0.00 0.00 178.83 178.50 1bk8 h GLN 25 N 0.81 -0.15 0.21 0.00 -0.00 -1.02 0.18 115.11 115.15 1bk8 h GLN 25 Ca 0.53 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 1bk8 h GLN 25 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.22 1bk8 h GLN 25 CO -0.34 -0.10 -0.19 -0.44 0.00 0.00 0.00 178.83 177.76 1bk8 h ASP 26 N -0.44 -0.49 0.00 -0.69 5.19 -0.21 -3.26 116.42 116.52 1bk8 h ASP 26 Ca -0.02 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1bk8 h ASP 26 Cb 0.12 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1bk8 h ASP 26 CO 0.03 -0.28 -0.03 -0.50 -3.12 0.00 0.00 179.24 175.34 1bk8 h TRP 27 N -0.42 0.00 0.07 4.55 4.06 -0.60 -3.45 115.95 120.16 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 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1bk8 h TRP 27 CO -0.13 0.00 -0.03 1.49 -3.56 0.00 0.00 178.44 176.20 1bk8 h GLU 28 N -0.10 -0.09 0.00 0.49 4.81 -1.01 -3.47 114.58 115.21 1bk8 h GLU 28 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bk8 h GLU 28 Cb 0.03 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1bk8 h GLU 28 CO 0.00 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 1bk8 n LYS 29 N -4.82 0.00 -2.62 1.92 4.76 0.17 -5.03 118.16 112.54 1bk8 n LYS 29 Ca -0.08 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.11 1bk8 n LYS 29 Cb 0.30 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.52 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 -0.75 3.51 0.19 7.82 0.00 0.40 -4.88 121.76 128.04 1bk8 s ALA 30 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1bk8 s ALA 30 Cb 0.00 -2.39 0.10 0.00 0.00 0.00 0.00 23.12 20.83 1bk8 s ALA 30 CO 0.00 -0.67 1.81 0.77 0.00 0.00 0.00 175.76 177.67 1bk8 h SER 31 N 0.03 0.77 -1.43 0.00 0.02 -0.74 -3.39 113.55 108.81 1bk8 h SER 31 Ca -0.45 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1bk8 h SER 31 Cb 1.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1bk8 h SER 31 CO 0.59 0.62 0.21 0.00 -1.14 0.00 0.00 176.83 177.11 1bk8 n HIS 32 N -4.57 -1.00 -4.23 3.45 1.44 -1.03 -4.88 115.22 104.40 1bk8 n HIS 32 Ca 0.05 -0.55 -0.14 0.00 -2.01 0.00 0.00 57.72 55.07 1bk8 n HIS 32 Cb 0.07 0.27 -0.09 0.00 0.12 0.00 0.00 29.99 30.35 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 1.74 -0.29 -1.39 0.00 -1.24 -0.93 107.32 102.84 1bk8 s GLY 33 Ca 0.09 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.78 1bk8 s GLY 33 CO 0.03 -1.42 1.13 0.00 0.00 0.00 0.00 173.10 172.83 1bk8 s ALA 34 N -3.92 -2.23 0.40 3.20 0.00 0.49 -4.23 121.76 115.48 1bk8 s ALA 34 Ca 0.40 1.97 -0.23 0.00 0.00 0.00 0.00 51.96 54.10 1bk8 s ALA 34 Cb 0.05 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 1bk8 s ALA 34 CO 0.17 -0.26 0.97 0.00 0.00 0.00 0.00 175.76 176.64 1bk8 s HIS 36 N -1.94 0.07 0.11 0.00 3.76 0.21 -4.88 115.29 112.62 1bk8 s HIS 36 Ca 0.59 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.82 1bk8 s HIS 36 Cb -0.14 0.17 -0.07 0.00 1.11 0.00 0.00 32.58 33.65 1bk8 s HIS 36 CO 0.18 -0.77 0.80 0.21 -0.85 0.00 0.00 174.74 174.31 1bk8 s LYS 37 N -3.89 4.57 -0.10 1.40 2.20 -1.26 -0.10 119.74 122.56 1bk8 s LYS 37 Ca 0.10 1.17 -0.05 0.00 -0.36 0.00 0.00 55.97 56.83 1bk8 s LYS 37 Cb 0.02 -3.32 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1bk8 s LYS 37 CO -0.05 0.41 0.22 1.03 -0.36 0.00 0.00 175.35 176.61 1bk8 s ARG 38 N -0.58 0.18 -1.62 4.03 1.81 0.16 -4.89 118.95 118.06 1bk8 s ARG 38 Ca 0.38 0.49 -0.16 0.00 -1.72 0.00 0.00 55.73 54.72 1bk8 s ARG 38 Cb -0.22 -0.12 0.12 0.00 -0.45 0.00 0.00 34.95 34.28 1bk8 s ARG 38 CO 0.26 -0.16 0.90 0.39 -0.68 0.00 0.00 175.30 176.01 1bk8 n GLU 39 N 4.17 -4.48 -0.01 3.54 1.02 -1.26 -0.23 120.64 123.39 1bk8 n GLU 39 Ca -0.25 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1bk8 n GLU 39 Cb 0.53 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 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 -2.75 0.00 -4.65 1.62 5.15 -1.26 -4.97 115.26 108.40 1bk8 n ASN 40 Ca 0.06 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.65 1bk8 n ASN 40 Cb 0.51 -0.85 -0.07 0.00 -0.53 0.00 0.00 39.78 38.84 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 -1.87 3.33 -0.52 1.20 3.76 0.67 -5.00 115.29 116.87 1bk8 s HIS 41 Ca 0.00 0.75 -0.28 0.00 -0.15 0.00 0.00 55.06 55.38 1bk8 s HIS 41 Cb 0.00 -2.71 0.01 0.00 1.11 0.00 0.00 32.58 30.99 1bk8 s HIS 41 CO 0.00 -0.18 1.41 -1.58 -0.85 0.00 0.00 174.74 173.54 1bk8 s TRP 42 N 1.92 2.33 -0.13 1.40 0.52 -1.26 -0.66 118.94 123.06 1bk8 s TRP 42 Ca 0.24 0.54 -0.07 0.00 0.02 0.00 0.00 56.10 56.83 1bk8 s TRP 42 Cb -0.15 -4.37 -0.04 0.00 -1.15 0.00 0.00 33.47 27.75 1bk8 s TRP 42 CO 0.09 -1.95 0.13 0.15 0.02 0.00 0.00 176.95 175.39 1bk8 s LYS 43 N 5.33 3.49 0.23 4.98 -0.14 0.86 0.15 119.74 134.64 1bk8 s LYS 43 Ca 0.55 -0.16 -0.32 0.00 -1.36 0.00 0.00 55.97 54.68 1bk8 s LYS 43 Cb -0.11 -3.18 -0.12 0.00 -1.68 0.00 0.00 37.83 32.74 1bk8 s LYS 43 CO 0.27 0.72 1.71 0.00 -0.76 0.00 0.00 175.35 177.29 1bk8 s PHE 45 N 0.95 2.36 0.14 0.00 0.40 -0.07 0.03 117.98 121.79 1bk8 s PHE 45 Ca 0.73 -0.34 0.09 0.00 -0.60 0.00 0.00 56.93 56.81 1bk8 s PHE 45 Cb -0.50 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1bk8 s PHE 45 CO 0.35 0.46 -0.22 0.00 0.70 0.00 0.00 175.22 176.51 1bk8 s TYR 47 N -1.50 1.28 0.67 0.00 1.51 -0.11 -0.29 117.35 118.91 1bk8 s TYR 47 Ca 0.13 -1.25 0.05 0.00 -1.01 0.00 0.00 57.07 54.99 1bk8 s TYR 47 Cb -0.08 -1.31 0.12 0.00 -0.11 0.00 0.00 41.96 40.58 1bk8 s TYR 47 CO 0.06 -0.75 0.92 -0.06 -1.11 0.00 0.00 175.55 174.62 1bk8 s PHE 48 N 1.77 1.21 -1.07 2.71 0.40 -1.26 -0.04 117.98 121.69 1bk8 s PHE 48 Ca 0.04 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 1bk8 s PHE 48 Cb -0.17 -2.56 0.14 0.00 0.51 0.00 0.00 43.02 40.94 1bk8 s PHE 48 CO -0.18 -1.56 0.34 0.27 0.70 0.00 0.00 175.22 174.79 1bk8 n ASN 49 N -2.59 -1.11 0.00 1.36 0.23 -1.26 -2.66 115.26 109.23 1bk8 n ASN 49 Ca 0.17 -0.67 0.15 0.00 -0.53 0.00 0.00 54.58 53.69 1bk8 n ASN 49 Cb 0.61 -0.98 0.86 0.00 -2.08 0.00 0.00 39.78 38.20 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33