#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 7.38 5.81 0.03 0.00 3.04 0.84 -4.84 114.94 127.20 1bk8 s ASN 3 Ca 0.89 -1.42 -0.30 0.00 0.04 0.00 0.00 52.86 52.07 1bk8 s ASN 3 Cb -0.26 -2.57 -0.05 0.00 -1.54 0.00 0.00 41.25 36.82 1bk8 s ASN 3 CO 0.33 -2.18 1.23 -0.70 -3.04 0.00 0.00 177.10 172.75 1bk8 s GLU 4 N 5.82 4.39 0.00 0.43 2.12 -1.26 -0.77 118.70 129.43 1bk8 s GLU 4 Ca 0.60 1.79 -0.13 0.00 0.36 0.00 0.00 54.97 57.59 1bk8 s GLU 4 Cb -0.02 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1bk8 s GLU 4 CO 0.01 -0.35 0.28 -0.98 -0.54 0.00 0.00 175.26 173.69 1bk8 s ARG 5 N 1.46 0.67 1.14 4.30 1.70 0.31 -4.99 118.95 123.54 1bk8 s ARG 5 Ca 0.59 -0.29 -0.17 0.00 -0.47 0.00 0.00 55.73 55.39 1bk8 s ARG 5 Cb -0.29 0.29 0.26 0.00 -0.57 0.00 0.00 34.95 34.64 1bk8 s ARG 5 CO 0.27 -0.19 1.12 -1.25 -1.08 0.00 0.00 175.30 174.17 1bk8 s PRO 6 N -1.61 -0.69 -0.47 3.89 0.04 -1.26 -0.75 135.00 134.15 1bk8 s PRO 6 Ca -0.12 0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.68 1bk8 s PRO 6 Cb -0.05 -1.65 -0.15 0.00 0.04 0.00 0.00 34.50 32.70 1bk8 s PRO 6 CO 0.02 -3.38 1.71 -1.13 0.04 0.00 0.00 177.00 174.26 1bk8 n SER 7 N -4.55 0.48 -0.05 6.66 3.41 -0.16 -4.47 113.62 114.94 1bk8 n SER 7 Ca 0.11 0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 59.12 1bk8 n SER 7 Cb 0.59 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 7.31 0.00 0.02 4.33 1.08 -1.88 -3.43 115.11 122.53 1bk8 h GLN 8 Ca -0.07 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1bk8 h GLN 8 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1bk8 h GLN 8 CO 0.87 0.00 -0.01 1.79 -0.95 0.00 0.00 178.83 180.54 1bk8 h THR 9 N -0.75 0.26 -0.07 -0.54 1.35 -1.89 -3.43 112.91 107.83 1bk8 h THR 9 Ca 0.00 -1.17 -0.52 0.00 -0.55 0.00 0.00 66.41 64.17 1bk8 h THR 9 Cb 0.22 0.48 0.07 0.00 -1.73 0.00 0.00 68.15 67.19 1bk8 h THR 9 CO 0.00 0.09 1.58 1.87 -0.25 0.00 0.00 175.52 178.81 1bk8 n TRP 10 N -4.77 1.26 -1.66 4.73 -0.00 -1.26 -4.82 117.44 110.92 1bk8 n TRP 10 Ca -0.02 -1.15 -0.41 0.00 -0.00 0.00 0.00 57.50 55.92 1bk8 n TRP 10 Cb 0.08 -1.60 -0.01 0.00 -0.00 0.00 0.00 31.31 29.77 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 10.22 6.58 0.00 5.87 7.64 -1.26 -4.71 113.62 137.96 1bk8 n SER 11 Ca 0.47 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1bk8 n SER 11 Cb 0.42 -1.56 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 3.43 1.23 3.89 0.23 0.00 -1.26 -5.15 105.19 107.56 1bk8 n GLY 12 Ca 0.63 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 6.53 0.69 1.61 2.47 -1.26 -4.67 114.94 122.31 1bk8 s ASN 13 Ca 0.00 0.66 -0.17 0.00 0.42 0.00 0.00 52.86 53.77 1bk8 s ASN 13 Cb 0.00 -2.12 -0.01 0.00 -1.45 0.00 0.00 41.25 37.67 1bk8 s ASN 13 CO 0.00 0.08 0.94 0.00 -3.72 0.00 0.00 177.10 174.40 1bk8 n GLY 15 N 1.20 -0.08 3.28 0.00 0.00 -1.26 -4.98 105.19 103.34 1bk8 n GLY 15 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.50 -0.51 0.46 1.61 3.84 -1.26 -5.04 114.94 108.53 1bk8 s ASN 16 Ca -0.05 0.89 0.11 0.00 0.21 0.00 0.00 52.86 54.02 1bk8 s ASN 16 Cb 0.02 0.78 1.03 0.00 -0.55 0.00 0.00 41.25 42.53 1bk8 s ASN 16 CO 0.07 -0.19 2.09 0.00 -2.79 0.00 0.00 177.10 176.28 1bk8 h THR 17 N 5.46 1.07 0.00 -5.21 1.03 -1.97 0.14 112.91 113.42 1bk8 h THR 17 Ca -0.36 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1bk8 h THR 17 Cb 1.18 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.03 1bk8 h THR 17 CO 0.29 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 175.87 1bk8 h ALA 18 N 1.85 1.00 0.06 0.00 0.00 -1.96 -0.50 119.26 119.70 1bk8 h ALA 18 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1bk8 h ALA 18 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1bk8 h ALA 18 CO -0.01 0.00 -1.64 1.58 0.00 0.00 0.00 179.25 179.18 1bk8 n HIS 19 N -2.86 1.11 -0.27 0.00 -0.00 0.27 -4.07 115.22 109.40 1bk8 n HIS 19 Ca -0.01 0.35 0.04 0.00 -0.00 0.00 0.00 57.72 58.10 1bk8 n HIS 19 Cb 0.18 -1.13 0.13 0.00 -0.00 0.00 0.00 29.99 29.17 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 0.03 0.63 -0.08 0.00 3.58 -1.30 -1.17 116.42 118.11 1bk8 h ASP 21 Ca 0.41 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1bk8 h ASP 21 Cb 0.67 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1bk8 h ASP 21 CO -0.78 0.62 0.04 0.11 -2.88 0.00 0.00 179.24 176.35 1bk8 h LYS 22 N 0.67 0.12 -1.53 0.28 1.57 -0.87 -0.03 116.57 116.79 1bk8 h LYS 22 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bk8 h LYS 22 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1bk8 h LYS 22 CO -0.01 0.21 0.00 1.04 -0.57 0.00 0.00 179.45 180.12 1bk8 n GLN 23 N -4.96 0.82 0.00 3.15 6.02 -0.24 -0.11 117.38 122.07 1bk8 n GLN 23 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1bk8 n GLN 23 Cb 0.09 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 0.29 0.00 0.00 4.20 -0.78 0.97 115.11 119.79 1bk8 h GLN 25 Ca 0.00 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 1bk8 h GLN 25 Cb 0.00 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1bk8 h GLN 25 CO 0.00 1.10 -0.28 -0.44 -0.67 0.00 0.00 178.83 178.54 1bk8 h ASP 26 N -0.35 0.00 0.29 1.46 3.32 -0.71 -3.38 116.42 117.06 1bk8 h ASP 26 Ca -0.08 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1bk8 h ASP 26 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1bk8 h ASP 26 CO 0.10 0.87 -0.14 -0.50 -1.72 0.00 0.00 179.24 177.85 1bk8 h TRP 27 N -1.00 -0.37 0.00 4.55 4.06 -1.76 -3.44 115.95 117.99 1bk8 h TRP 27 Ca -0.06 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1bk8 h TRP 27 Cb 0.62 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 1bk8 h TRP 27 CO 0.08 -0.23 0.00 0.39 -3.56 0.00 0.00 178.44 175.12 1bk8 n GLU 28 N -4.99 3.43 -2.72 0.49 -0.58 -1.24 -4.97 120.64 110.06 1bk8 n GLU 28 Ca -0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1bk8 n GLU 28 Cb 0.16 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.12 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bk8 n LYS 29 N 0.00 0.97 -3.35 3.49 4.76 -0.70 -4.68 118.16 118.67 1bk8 n LYS 29 Ca 0.00 -1.78 -0.26 0.00 -2.87 0.00 0.00 58.31 53.40 1bk8 n LYS 29 Cb 0.00 -0.71 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 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 0.23 3.66 0.18 7.82 0.00 0.25 -4.84 121.76 129.07 1bk8 s ALA 30 Ca 0.21 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1bk8 s ALA 30 Cb 0.31 -2.21 0.17 0.00 0.00 0.00 0.00 23.12 21.39 1bk8 s ALA 30 CO -0.07 0.12 1.74 0.77 0.00 0.00 0.00 175.76 178.32 1bk8 h SER 31 N 1.25 0.14 -2.71 0.00 0.02 -0.08 -3.37 113.55 108.81 1bk8 h SER 31 Ca -0.48 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1bk8 h SER 31 Cb 1.20 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1bk8 h SER 31 CO 0.64 0.11 0.21 0.00 -1.14 0.00 0.00 176.83 176.65 1bk8 n HIS 32 N -5.03 -2.10 -4.42 3.45 1.44 -1.04 -4.89 115.22 102.63 1bk8 n HIS 32 Ca 0.05 -1.58 -0.21 0.00 -2.01 0.00 0.00 57.72 53.97 1bk8 n HIS 32 Cb 0.21 0.76 -0.10 0.00 0.12 0.00 0.00 29.99 30.97 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 -2.74 1.78 -0.28 -1.39 0.00 -1.26 -0.67 107.32 102.77 1bk8 s GLY 33 Ca 0.14 -1.88 -0.23 0.00 0.00 0.00 0.00 44.72 42.75 1bk8 s GLY 33 CO 0.10 -1.82 0.93 0.00 0.00 0.00 0.00 173.10 172.31 1bk8 s ALA 34 N -3.04 -1.96 0.30 3.20 0.00 0.30 -4.31 121.76 116.24 1bk8 s ALA 34 Ca 0.29 2.00 -0.25 0.00 0.00 0.00 0.00 51.96 54.00 1bk8 s ALA 34 Cb 0.04 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1bk8 s ALA 34 CO 0.11 -0.29 0.90 0.00 0.00 0.00 0.00 175.76 176.49 1bk8 s HIS 36 N -1.57 -0.06 -0.23 0.00 3.76 0.27 -4.90 115.29 112.55 1bk8 s HIS 36 Ca 0.48 0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 55.24 1bk8 s HIS 36 Cb -0.19 0.00 -0.00 0.00 1.11 0.00 0.00 32.58 33.51 1bk8 s HIS 36 CO 0.24 -0.24 0.88 0.21 -0.85 0.00 0.00 174.74 174.97 1bk8 s LYS 37 N -0.92 4.21 -0.09 1.40 2.20 -1.26 -0.22 119.74 125.06 1bk8 s LYS 37 Ca -0.10 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 1bk8 s LYS 37 Cb -0.05 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1bk8 s LYS 37 CO 0.01 -0.52 -0.15 1.03 -0.36 0.00 0.00 175.35 175.37 1bk8 s ARG 38 N 2.84 2.08 -1.60 4.03 1.81 0.01 -4.82 118.95 123.30 1bk8 s ARG 38 Ca 0.37 -0.52 -0.13 0.00 -1.72 0.00 0.00 55.73 53.73 1bk8 s ARG 38 Cb -0.15 -1.74 0.10 0.00 -0.45 0.00 0.00 34.95 32.71 1bk8 s ARG 38 CO 0.08 -0.02 0.70 0.39 -0.68 0.00 0.00 175.30 175.77 1bk8 n GLU 39 N 4.03 -3.48 -1.58 3.54 4.71 -1.26 -0.22 120.64 126.38 1bk8 n GLU 39 Ca -0.20 0.41 -0.19 0.00 -0.01 0.00 0.00 57.16 57.16 1bk8 n GLU 39 Cb 0.51 -4.97 -0.08 0.00 -1.01 0.00 0.00 31.44 25.89 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 -2.77 -5.34 -4.15 1.62 5.15 -1.26 -4.99 115.26 103.52 1bk8 n ASN 40 Ca -0.04 0.47 -0.33 0.00 -0.60 0.00 0.00 54.58 54.07 1bk8 n ASN 40 Cb 0.55 -4.54 -0.15 0.00 -0.53 0.00 0.00 39.78 35.11 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 -2.73 2.88 -0.58 1.20 3.76 0.70 -5.08 115.29 115.45 1bk8 s HIS 41 Ca 0.00 -1.59 -0.28 0.00 -0.15 0.00 0.00 55.06 53.04 1bk8 s HIS 41 Cb 0.00 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.74 1bk8 s HIS 41 CO 0.00 -0.77 1.49 -1.58 -0.85 0.00 0.00 174.74 173.03 1bk8 s TRP 42 N 1.31 2.16 -0.10 1.40 0.52 -1.26 -0.81 118.94 122.15 1bk8 s TRP 42 Ca 0.03 0.47 -0.15 0.00 0.02 0.00 0.00 56.10 56.48 1bk8 s TRP 42 Cb -0.14 -4.36 -0.05 0.00 -1.15 0.00 0.00 33.47 27.78 1bk8 s TRP 42 CO -0.10 -2.09 0.38 0.15 0.02 0.00 0.00 176.95 175.31 1bk8 s LYS 43 N 5.78 4.16 -0.13 4.98 -0.14 0.69 0.38 119.74 135.47 1bk8 s LYS 43 Ca 0.54 0.30 -0.29 0.00 -1.36 0.00 0.00 55.97 55.16 1bk8 s LYS 43 Cb -0.11 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.62 1bk8 s LYS 43 CO 0.24 0.36 1.81 0.00 -0.76 0.00 0.00 175.35 177.00 1bk8 s PHE 45 N 5.34 3.53 0.19 0.00 0.40 0.02 -0.98 117.98 126.48 1bk8 s PHE 45 Ca 0.81 0.45 0.09 0.00 -0.60 0.00 0.00 56.93 57.68 1bk8 s PHE 45 Cb -0.32 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1bk8 s PHE 45 CO 0.33 0.55 -0.09 0.00 0.70 0.00 0.00 175.22 176.71 1bk8 s TYR 47 N -1.81 1.46 0.47 0.00 1.51 0.15 -0.53 117.35 118.61 1bk8 s TYR 47 Ca 0.26 -1.43 0.05 0.00 -1.01 0.00 0.00 57.07 54.93 1bk8 s TYR 47 Cb -0.08 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.39 1bk8 s TYR 47 CO 0.16 -0.80 0.65 1.19 -1.11 0.00 0.00 175.55 175.64 1bk8 n PHE 48 N 4.92 -2.65 -1.52 2.71 3.01 0.05 0.64 117.46 124.63 1bk8 n PHE 48 Ca -0.05 -1.51 -0.14 0.00 1.01 0.00 0.00 57.45 56.76 1bk8 n PHE 48 Cb 0.43 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.39 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 -2.63 -3.83 0.00 4.37 4.13 -1.26 -0.11 115.26 115.92 1bk8 n ASN 49 Ca 0.12 0.33 0.15 0.00 1.68 0.00 0.00 54.58 56.87 1bk8 n ASN 49 Cb 0.45 -3.51 0.91 0.00 -1.54 0.00 0.00 39.78 36.09 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54