#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 0.00 5.73 0.02 0.00 0.02 0.13 -4.79 114.94 116.06 1bk8 s ASN 3 Ca 0.00 -0.50 -0.30 0.00 -1.02 0.00 0.00 52.86 51.04 1bk8 s ASN 3 Cb 0.00 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 1bk8 s ASN 3 CO 0.00 -2.14 1.21 -0.70 0.02 0.00 0.00 177.10 175.48 1bk8 s GLU 4 N 6.26 4.40 0.06 -0.60 2.12 -1.26 -0.98 118.70 128.70 1bk8 s GLU 4 Ca 0.55 1.75 0.04 0.00 0.36 0.00 0.00 54.97 57.67 1bk8 s GLU 4 Cb -0.07 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1bk8 s GLU 4 CO 0.07 -0.33 -0.12 -0.98 -0.54 0.00 0.00 175.26 173.37 1bk8 s ARG 5 N 1.47 0.73 1.10 4.30 1.70 0.62 -4.98 118.95 123.89 1bk8 s ARG 5 Ca 0.58 -0.91 -0.16 0.00 -0.47 0.00 0.00 55.73 54.77 1bk8 s ARG 5 Cb -0.28 -0.64 0.24 0.00 -0.57 0.00 0.00 34.95 33.70 1bk8 s ARG 5 CO 0.27 0.14 1.12 -1.25 -1.08 0.00 0.00 175.30 174.50 1bk8 s PRO 6 N -1.76 -0.42 -0.16 3.89 0.04 -1.26 -0.89 135.00 134.43 1bk8 s PRO 6 Ca -0.04 0.11 -0.33 0.00 0.04 0.00 0.00 61.00 60.79 1bk8 s PRO 6 Cb -0.10 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1bk8 s PRO 6 CO 0.02 -3.22 2.03 -1.13 0.04 0.00 0.00 177.00 174.74 1bk8 n SER 7 N -4.44 3.22 -0.04 6.66 3.41 -0.26 -4.56 113.62 117.61 1bk8 n SER 7 Ca 0.10 0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1bk8 n SER 7 Cb 0.59 -1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 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 7.51 0.30 -0.03 4.33 6.02 -1.26 -4.76 117.38 129.48 1bk8 n GLN 8 Ca 0.28 0.12 -0.15 0.00 -0.01 0.00 0.00 57.00 57.24 1bk8 n GLN 8 Cb 0.33 -0.99 -0.09 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.56 1.43 -0.15 5.09 1.35 -1.89 -3.28 112.91 114.89 1bk8 h THR 9 Ca 0.00 -1.69 -0.63 0.00 -0.55 0.00 0.00 66.41 63.54 1bk8 h THR 9 Cb 0.56 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1bk8 h THR 9 CO 0.00 0.48 2.39 1.87 -0.25 0.00 0.00 175.52 180.01 1bk8 n TRP 10 N -4.47 2.79 -1.32 4.73 -0.00 -1.26 -4.86 117.44 113.05 1bk8 n TRP 10 Ca -0.08 -2.23 -0.37 0.00 -0.00 0.00 0.00 57.50 54.81 1bk8 n TRP 10 Cb 0.47 -2.19 -0.02 0.00 -0.00 0.00 0.00 31.31 29.57 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 8.06 6.46 0.00 5.87 7.64 -1.24 -4.73 113.62 135.67 1bk8 n SER 11 Ca 0.50 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1bk8 n SER 11 Cb 0.41 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 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 3.81 1.05 3.90 0.23 0.00 -1.26 -5.13 105.19 107.80 1bk8 n GLY 12 Ca 0.64 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 6.47 0.43 1.61 2.47 -1.26 -4.64 114.94 122.02 1bk8 s ASN 13 Ca 0.00 0.58 0.08 0.00 0.42 0.00 0.00 52.86 53.94 1bk8 s ASN 13 Cb 0.00 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 1bk8 s ASN 13 CO 0.00 0.00 0.40 0.00 -3.72 0.00 0.00 177.10 173.78 1bk8 n GLY 15 N -1.59 -1.68 3.57 0.00 0.00 -1.26 -4.75 105.19 99.48 1bk8 n GLY 15 Ca 0.04 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.80 5.76 0.51 1.61 3.84 -1.26 -4.77 114.94 118.83 1bk8 s ASN 16 Ca 0.00 -1.72 0.19 0.00 0.21 0.00 0.00 52.86 51.54 1bk8 s ASN 16 Cb 0.00 -2.58 1.27 0.00 -0.55 0.00 0.00 41.25 39.39 1bk8 s ASN 16 CO 0.00 -2.27 2.06 0.00 -2.79 0.00 0.00 177.10 174.10 1bk8 h THR 17 N 6.24 0.89 0.00 -5.21 1.03 -1.97 0.19 112.91 114.08 1bk8 h THR 17 Ca 0.27 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1bk8 h THR 17 Cb 0.94 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1bk8 h THR 17 CO 1.32 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 176.84 1bk8 n ALA 18 N -2.58 2.16 -0.04 0.00 0.00 -1.26 -1.10 120.51 117.69 1bk8 n ALA 18 Ca 0.04 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1bk8 n ALA 18 Cb 0.33 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 1bk8 n ALA 18 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1bk8 n HIS 19 N -1.40 1.05 -0.26 0.00 -0.00 0.47 -4.38 115.22 110.70 1bk8 n HIS 19 Ca 0.08 0.27 0.07 0.00 -0.00 0.00 0.00 57.72 58.15 1bk8 n HIS 19 Cb 0.24 -1.13 0.20 0.00 -0.00 0.00 0.00 29.99 29.30 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 0.24 0.07 -0.10 0.00 2.03 -1.27 -1.92 116.42 115.48 1bk8 h ASP 21 Ca 0.44 -0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.60 1bk8 h ASP 21 Cb 0.79 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.28 1bk8 h ASP 21 CO -0.56 0.19 -0.46 0.11 -1.03 0.00 0.00 179.24 177.49 1bk8 h LYS 22 N 0.08 0.48 -1.54 4.15 1.57 -0.80 0.09 116.57 120.60 1bk8 h LYS 22 Ca 0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1bk8 h LYS 22 Cb 0.24 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1bk8 h LYS 22 CO 0.01 1.02 0.00 1.04 -0.57 0.00 0.00 179.45 180.95 1bk8 n GLN 23 N -4.28 0.82 0.00 3.15 6.02 -0.37 -0.14 117.38 122.58 1bk8 n GLN 23 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1bk8 n GLN 23 Cb 0.57 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.74 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 0.22 0.00 0.00 4.20 -0.77 0.14 115.11 118.89 1bk8 h GLN 25 Ca 0.00 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 1bk8 h GLN 25 Cb 0.00 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1bk8 h GLN 25 CO 0.00 0.96 -0.61 -0.44 -0.67 0.00 0.00 178.83 178.08 1bk8 h ASP 26 N -0.43 0.00 0.17 1.46 3.32 -0.75 -3.35 116.42 116.84 1bk8 h ASP 26 Ca -0.04 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 1bk8 h ASP 26 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1bk8 h ASP 26 CO 0.06 1.15 -0.08 -0.50 -1.72 0.00 0.00 179.24 178.15 1bk8 h TRP 27 N -1.00 -0.21 0.00 4.55 4.06 -1.76 -3.44 115.95 118.15 1bk8 h TRP 27 Ca -0.15 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.79 1bk8 h TRP 27 Cb 0.99 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1bk8 h TRP 27 CO 0.12 -0.13 0.00 0.39 -3.56 0.00 0.00 178.44 175.26 1bk8 n GLU 28 N -3.70 2.81 -2.72 0.49 1.02 -1.24 -4.98 120.64 112.33 1bk8 n GLU 28 Ca -0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.03 1bk8 n GLU 28 Cb 0.09 0.00 0.10 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 0.98 -2.59 3.49 4.01 -0.10 -4.55 118.16 119.40 1bk8 n LYS 29 Ca 0.00 -1.79 -0.25 0.00 -0.51 0.00 0.00 58.31 55.76 1bk8 n LYS 29 Cb 0.00 -0.73 0.03 0.00 -0.51 0.00 0.00 35.03 33.82 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 0.23 3.48 0.14 7.82 0.00 0.29 -4.89 121.76 128.83 1bk8 s ALA 30 Ca 0.21 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1bk8 s ALA 30 Cb 0.31 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1bk8 s ALA 30 CO -0.07 -0.68 1.64 0.77 0.00 0.00 0.00 175.76 177.41 1bk8 h SER 31 N 0.01 0.68 -2.46 0.00 0.02 -0.63 -3.37 113.55 107.80 1bk8 h SER 31 Ca -0.45 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.20 1bk8 h SER 31 Cb 1.26 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1bk8 h SER 31 CO 0.59 0.75 0.12 0.00 -1.14 0.00 0.00 176.83 177.15 1bk8 n HIS 32 N -4.50 -1.73 -4.33 3.45 1.44 -1.09 -4.89 115.22 103.56 1bk8 n HIS 32 Ca 0.00 -1.27 -0.17 0.00 -2.01 0.00 0.00 57.72 54.27 1bk8 n HIS 32 Cb 0.22 0.55 -0.10 0.00 0.12 0.00 0.00 29.99 30.78 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 -2.36 1.62 -0.20 -1.39 0.00 -1.26 -0.71 107.32 103.03 1bk8 s GLY 33 Ca 0.12 -1.81 -0.27 0.00 0.00 0.00 0.00 44.72 42.76 1bk8 s GLY 33 CO 0.09 -1.66 0.81 0.00 0.00 0.00 0.00 173.10 172.35 1bk8 s ALA 34 N -3.50 -1.84 0.37 3.20 0.00 0.27 -4.11 121.76 116.15 1bk8 s ALA 34 Ca 0.31 1.74 -0.26 0.00 0.00 0.00 0.00 51.96 53.75 1bk8 s ALA 34 Cb 0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 1bk8 s ALA 34 CO 0.10 -0.32 1.08 0.00 0.00 0.00 0.00 175.76 176.62 1bk8 s HIS 36 N -1.49 -0.09 -0.21 0.00 3.76 0.62 -4.91 115.29 112.97 1bk8 s HIS 36 Ca 0.54 0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 55.38 1bk8 s HIS 36 Cb -0.26 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.44 1bk8 s HIS 36 CO 0.33 -0.21 0.88 0.21 -0.85 0.00 0.00 174.74 175.09 1bk8 s LYS 37 N -0.73 4.25 -0.12 1.40 2.20 -1.26 -0.12 119.74 125.36 1bk8 s LYS 37 Ca -0.08 1.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 1bk8 s LYS 37 Cb -0.05 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1bk8 s LYS 37 CO 0.01 -0.46 -0.13 0.50 -0.36 0.00 0.00 175.35 174.91 1bk8 s ARG 38 N 2.61 2.11 -1.01 4.03 6.06 0.14 -4.88 118.95 128.01 1bk8 s ARG 38 Ca 0.38 -0.50 -0.15 0.00 -2.50 0.00 0.00 55.73 52.97 1bk8 s ARG 38 Cb -0.16 -1.91 0.00 0.00 0.06 0.00 0.00 34.95 32.95 1bk8 s ARG 38 CO 0.09 -0.17 0.72 0.39 -2.50 0.00 0.00 175.30 173.84 1bk8 n GLU 39 N 4.55 -1.19 0.00 5.12 1.02 -1.26 -0.75 120.64 128.13 1bk8 n GLU 39 Ca -0.17 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1bk8 n GLU 39 Cb 0.51 -3.75 0.00 0.00 -0.02 0.00 0.00 31.44 28.18 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 -2.46 0.00 -4.56 1.62 2.85 -1.26 -4.92 115.26 106.53 1bk8 n ASN 40 Ca -0.13 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.93 1bk8 n ASN 40 Cb 0.60 -0.03 -0.10 0.00 1.24 0.00 0.00 39.78 41.49 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1bk8 s HIS 41 N -0.07 3.22 -0.19 1.20 3.76 0.07 -4.97 115.29 118.30 1bk8 s HIS 41 Ca 0.00 0.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.65 1bk8 s HIS 41 Cb 0.00 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 1bk8 s HIS 41 CO 0.00 -0.37 1.90 -1.58 -0.85 0.00 0.00 174.74 173.85 1bk8 s TRP 42 N 1.96 1.60 -0.13 1.40 0.52 -1.26 -0.68 118.94 122.36 1bk8 s TRP 42 Ca 0.11 0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.55 1bk8 s TRP 42 Cb -0.16 -4.04 -0.04 0.00 -1.15 0.00 0.00 33.47 28.08 1bk8 s TRP 42 CO 0.11 -3.81 0.04 0.15 0.02 0.00 0.00 176.95 173.46 1bk8 s LYS 43 N 5.33 3.41 0.04 4.98 -0.14 0.84 0.45 119.74 134.65 1bk8 s LYS 43 Ca 0.85 -0.35 -0.31 0.00 -1.36 0.00 0.00 55.97 54.80 1bk8 s LYS 43 Cb -0.30 -2.99 -0.06 0.00 -1.68 0.00 0.00 37.83 32.79 1bk8 s LYS 43 CO 0.34 0.55 1.41 0.00 -0.76 0.00 0.00 175.35 176.89 1bk8 s PHE 45 N 1.96 2.70 0.16 0.00 0.40 0.04 -1.10 117.98 122.14 1bk8 s PHE 45 Ca 0.65 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.89 1bk8 s PHE 45 Cb -0.34 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1bk8 s PHE 45 CO 0.28 0.34 -0.07 0.00 0.70 0.00 0.00 175.22 176.48 1bk8 s TYR 47 N -1.58 0.84 0.66 0.00 1.51 0.11 -0.28 117.35 118.62 1bk8 s TYR 47 Ca 0.25 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1bk8 s TYR 47 Cb -0.10 -1.10 0.10 0.00 -0.11 0.00 0.00 41.96 40.76 1bk8 s TYR 47 CO 0.16 -0.73 0.91 -0.06 -1.11 0.00 0.00 175.55 174.72 1bk8 s PHE 48 N 1.92 1.72 -0.96 2.71 0.40 -0.16 0.11 117.98 123.72 1bk8 s PHE 48 Ca 0.05 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1bk8 s PHE 48 Cb -0.17 -2.77 0.04 0.00 0.51 0.00 0.00 43.02 40.63 1bk8 s PHE 48 CO -0.21 -1.46 0.10 0.27 0.70 0.00 0.00 175.22 174.62 1bk8 n ASN 49 N -2.62 0.11 -0.67 1.36 0.23 -1.26 -0.69 115.26 111.73 1bk8 n ASN 49 Ca 0.14 -0.74 0.13 0.00 -0.53 0.00 0.00 54.58 53.58 1bk8 n ASN 49 Cb 0.61 -0.93 0.36 0.00 -2.08 0.00 0.00 39.78 37.73 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33