#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 9.62 5.87 0.01 0.00 3.84 -1.26 -4.81 114.94 128.22 1bk8 s ASN 3 Ca 0.85 -1.53 -0.30 0.00 0.21 0.00 0.00 52.86 52.09 1bk8 s ASN 3 Cb -0.09 -2.57 -0.05 0.00 -0.55 0.00 0.00 41.25 37.99 1bk8 s ASN 3 CO 0.10 -2.13 1.23 -0.70 -2.79 0.00 0.00 177.10 172.82 1bk8 s GLU 4 N 5.69 4.38 0.04 0.43 2.12 -1.26 -0.95 118.70 129.15 1bk8 s GLU 4 Ca 0.59 1.77 -0.10 0.00 0.36 0.00 0.00 54.97 57.59 1bk8 s GLU 4 Cb -0.01 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1bk8 s GLU 4 CO 0.02 -0.37 0.21 -0.98 -0.54 0.00 0.00 175.26 173.61 1bk8 s ARG 5 N 1.64 0.70 1.20 4.30 1.70 0.18 -4.99 118.95 123.67 1bk8 s ARG 5 Ca 0.59 -0.59 -0.18 0.00 -0.47 0.00 0.00 55.73 55.08 1bk8 s ARG 5 Cb -0.28 0.29 0.23 0.00 -0.57 0.00 0.00 34.95 34.62 1bk8 s ARG 5 CO 0.26 -0.21 0.50 -2.30 -1.08 0.00 0.00 175.30 172.47 1bk8 n PRO 6 N 0.72 -2.84 -1.49 3.89 -0.02 -1.26 -0.92 135.00 133.07 1bk8 n PRO 6 Ca -0.19 -0.83 -0.53 0.00 -2.02 0.00 0.00 63.50 59.93 1bk8 n PRO 6 Cb 0.59 -1.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bk8 n SER 7 N -3.24 2.08 -0.05 2.55 3.41 -0.45 -4.30 113.62 113.62 1bk8 n SER 7 Ca 0.06 0.62 -0.04 0.00 -0.26 0.00 0.00 58.87 59.25 1bk8 n SER 7 Cb 0.53 -1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.27 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 7.42 0.28 -0.03 4.33 6.02 -1.26 -4.75 117.38 129.39 1bk8 n GLN 8 Ca 0.39 0.29 -0.13 0.00 -0.01 0.00 0.00 57.00 57.54 1bk8 n GLN 8 Cb 0.18 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 30.14 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 -0.58 1.51 0.00 5.09 1.35 -1.90 -3.33 112.91 115.05 1bk8 h THR 9 Ca 0.00 -1.52 -0.63 0.00 -0.55 0.00 0.00 66.41 63.70 1bk8 h THR 9 Cb 0.41 2.54 0.01 0.00 -1.73 0.00 0.00 68.15 69.38 1bk8 h THR 9 CO 0.00 0.40 2.83 1.87 -0.25 0.00 0.00 175.52 180.37 1bk8 n TRP 10 N -4.77 2.44 -1.40 4.73 -0.00 -1.26 -4.84 117.44 112.34 1bk8 n TRP 10 Ca -0.09 -2.40 -0.39 0.00 -0.00 0.00 0.00 57.50 54.62 1bk8 n TRP 10 Cb 0.33 -2.09 -0.02 0.00 -0.00 0.00 0.00 31.31 29.52 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 6.03 6.55 0.00 5.87 7.64 -1.25 -4.69 113.62 133.77 1bk8 n SER 11 Ca 0.53 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1bk8 n SER 11 Cb 0.34 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 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 1.72 3.90 0.23 0.00 -1.26 -5.15 105.19 108.44 1bk8 n GLY 12 Ca 0.66 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 6.44 0.75 1.61 2.47 -1.26 -4.68 114.94 122.27 1bk8 s ASN 13 Ca 0.00 0.46 -0.15 0.00 0.42 0.00 0.00 52.86 53.59 1bk8 s ASN 13 Cb 0.00 -2.04 0.01 0.00 -1.45 0.00 0.00 41.25 37.76 1bk8 s ASN 13 CO 0.00 0.15 0.83 0.00 -3.72 0.00 0.00 177.10 174.36 1bk8 n GLY 15 N 1.21 -0.03 3.01 0.00 0.00 -1.26 -4.99 105.19 103.13 1bk8 n GLY 15 Ca 0.12 0.00 -0.13 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 -5.28 -0.18 0.48 1.61 3.84 -1.26 -5.05 114.94 109.10 1bk8 s ASN 16 Ca 0.00 0.45 0.23 0.00 0.21 0.00 0.00 52.86 53.75 1bk8 s ASN 16 Cb 0.00 0.34 1.23 0.00 -0.55 0.00 0.00 41.25 42.27 1bk8 s ASN 16 CO 0.00 -0.16 2.01 0.00 -2.79 0.00 0.00 177.10 176.15 1bk8 h THR 17 N 5.96 0.76 0.07 -5.21 1.03 -1.97 0.77 112.91 114.33 1bk8 h THR 17 Ca -0.40 -0.69 -0.00 0.00 -0.01 0.00 0.00 66.41 65.30 1bk8 h THR 17 Cb 1.15 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 69.65 1bk8 h THR 17 CO 0.38 0.17 -0.04 0.00 -0.01 0.00 0.00 175.52 176.02 1bk8 h ALA 18 N 1.83 -0.11 -0.73 0.00 0.00 -1.96 -0.59 119.26 117.70 1bk8 h ALA 18 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bk8 h ALA 18 Cb 0.41 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1bk8 h ALA 18 CO 0.02 -0.56 0.38 1.25 0.00 0.00 0.00 179.25 180.34 1bk8 h HIS 19 N -0.11 1.03 -0.53 0.00 6.17 -1.64 -0.72 115.15 119.36 1bk8 h HIS 19 Ca -0.01 -0.04 0.11 0.00 0.71 0.00 0.00 60.37 61.14 1bk8 h HIS 19 Cb 0.09 -0.32 -0.10 0.00 2.52 0.00 0.00 27.41 29.60 1bk8 h HIS 19 CO -0.08 0.75 -0.12 0.00 0.71 0.00 0.00 177.93 179.19 1bk8 h ASP 21 N 0.01 0.89 -0.15 0.00 3.58 -0.29 -1.59 116.42 118.88 1bk8 h ASP 21 Ca 0.26 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.59 1bk8 h ASP 21 Cb 0.39 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 1bk8 h ASP 21 CO -0.54 0.81 -0.28 0.11 -2.88 0.00 0.00 179.24 176.47 1bk8 h LYS 22 N 0.91 -0.33 -1.38 0.28 1.57 -0.26 -1.01 116.57 116.35 1bk8 h LYS 22 Ca 0.22 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1bk8 h LYS 22 Cb 0.20 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bk8 h LYS 22 CO -0.02 -0.22 0.00 1.04 -0.57 0.00 0.00 179.45 179.68 1bk8 n GLN 23 N -5.39 0.93 0.01 3.15 6.02 0.22 0.07 117.38 122.38 1bk8 n GLN 23 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1bk8 n GLN 23 Cb 0.30 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.36 0.18 0.00 4.20 -1.04 0.14 115.11 118.24 1bk8 h GLN 25 Ca 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1bk8 h GLN 25 Cb 0.35 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1bk8 h GLN 25 CO 0.00 -0.18 -0.09 -0.44 -0.67 0.00 0.00 178.83 177.45 1bk8 h ASP 26 N -1.08 -0.21 0.00 1.46 3.32 -0.56 -3.37 116.42 115.99 1bk8 h ASP 26 Ca -0.04 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1bk8 h ASP 26 Cb 0.34 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1bk8 h ASP 26 CO 0.06 0.16 0.00 0.79 -1.72 0.00 0.00 179.24 178.53 1bk8 n TRP 27 N -5.04 0.00 0.06 4.55 7.02 -1.13 -4.80 117.44 118.10 1bk8 n TRP 27 Ca -0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.29 1bk8 n TRP 27 Cb 0.24 -0.01 -0.07 0.00 -2.42 0.00 0.00 31.31 29.05 1bk8 n TRP 27 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1bk8 h GLU 28 N 0.00 -0.24 0.00 -0.99 4.57 -1.65 -3.48 114.58 112.80 1bk8 h GLU 28 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1bk8 h GLU 28 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1bk8 h GLU 28 CO 0.00 0.15 0.00 1.63 -1.18 0.00 0.00 179.01 179.61 1bk8 n LYS 29 N -4.94 0.00 -4.35 1.92 4.76 -0.02 -5.05 118.16 110.49 1bk8 n LYS 29 Ca -0.07 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.15 1bk8 n LYS 29 Cb 0.25 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.33 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 0.00 2.10 0.22 7.82 0.00 0.29 -4.92 121.76 127.27 1bk8 s ALA 30 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.32 1bk8 s ALA 30 Cb 0.00 -0.19 0.19 0.00 0.00 0.00 0.00 23.12 23.12 1bk8 s ALA 30 CO 0.00 0.24 1.87 0.77 0.00 0.00 0.00 175.76 178.64 1bk8 h SER 31 N 3.12 0.85 -5.07 0.00 0.02 -0.05 -3.26 113.55 109.16 1bk8 h SER 31 Ca -0.42 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.46 1bk8 h SER 31 Cb 1.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1bk8 h SER 31 CO 0.52 0.60 0.22 -1.38 -1.14 0.00 0.00 176.83 175.65 1bk8 s HIS 32 N -6.12 0.25 0.28 3.45 -3.43 -1.16 -4.81 115.29 103.73 1bk8 s HIS 32 Ca -0.13 -0.87 0.08 0.00 -0.80 0.00 0.00 55.06 53.34 1bk8 s HIS 32 Cb 0.16 0.73 -0.06 0.00 -1.43 0.00 0.00 32.58 31.98 1bk8 s HIS 32 CO 0.78 -1.53 -0.10 0.20 -2.00 0.00 0.00 174.74 172.09 1bk8 s GLY 33 N -3.10 1.83 -0.28 -1.38 0.00 -1.26 -0.88 107.32 102.25 1bk8 s GLY 33 Ca 0.17 -1.89 -0.21 0.00 0.00 0.00 0.00 44.72 42.80 1bk8 s GLY 33 CO 0.13 -1.88 0.84 0.00 0.00 0.00 0.00 173.10 172.18 1bk8 s ALA 34 N -2.85 -1.95 0.33 3.20 0.00 0.26 -4.35 121.76 116.40 1bk8 s ALA 34 Ca 0.29 2.14 -0.26 0.00 0.00 0.00 0.00 51.96 54.13 1bk8 s ALA 34 Cb 0.01 -1.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 1bk8 s ALA 34 CO 0.12 -0.33 0.95 0.00 0.00 0.00 0.00 175.76 176.51 1bk8 s HIS 36 N -1.63 -0.04 -0.15 0.00 3.76 0.35 -4.89 115.29 112.68 1bk8 s HIS 36 Ca 0.51 0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 55.25 1bk8 s HIS 36 Cb -0.19 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.48 1bk8 s HIS 36 CO 0.24 -0.20 0.84 0.21 -0.85 0.00 0.00 174.74 174.99 1bk8 s LYS 37 N -0.76 4.32 -0.04 1.40 2.20 -1.26 -0.09 119.74 125.51 1bk8 s LYS 37 Ca -0.08 1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1bk8 s LYS 37 Cb -0.05 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1bk8 s LYS 37 CO 0.01 -0.30 0.07 0.50 -0.36 0.00 0.00 175.35 175.27 1bk8 s ARG 38 N 2.04 -0.05 -1.63 4.03 6.06 0.11 -4.80 118.95 124.72 1bk8 s ARG 38 Ca 0.39 0.35 -0.15 0.00 -2.50 0.00 0.00 55.73 53.82 1bk8 s ARG 38 Cb -0.17 -0.40 0.12 0.00 0.06 0.00 0.00 34.95 34.57 1bk8 s ARG 38 CO 0.13 -0.28 0.78 0.39 -2.50 0.00 0.00 175.30 173.83 1bk8 n GLU 39 N 4.95 -3.71 -1.55 5.12 -0.58 -1.26 -0.53 120.64 123.08 1bk8 n GLU 39 Ca -0.11 0.43 -0.19 0.00 -0.42 0.00 0.00 57.16 56.87 1bk8 n GLU 39 Cb 0.50 -5.11 -0.08 0.00 -0.57 0.00 0.00 31.44 26.18 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bk8 n ASN 40 N -2.74 -5.29 -4.20 1.62 5.15 -1.26 -4.99 115.26 103.56 1bk8 n ASN 40 Ca 0.01 0.47 -0.34 0.00 -0.60 0.00 0.00 54.58 54.13 1bk8 n ASN 40 Cb 0.53 -4.46 -0.15 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 2.83 -0.63 1.20 3.76 0.31 -5.07 115.29 114.98 1bk8 s HIS 41 Ca 0.00 -1.35 -0.27 0.00 -0.15 0.00 0.00 55.06 53.29 1bk8 s HIS 41 Cb 0.00 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1bk8 s HIS 41 CO 0.00 -0.68 1.52 -1.58 -0.85 0.00 0.00 174.74 173.15 1bk8 s TRP 42 N 1.26 2.07 -0.07 1.40 0.52 -1.26 -0.71 118.94 122.15 1bk8 s TRP 42 Ca 0.03 0.40 -0.16 0.00 0.02 0.00 0.00 56.10 56.39 1bk8 s TRP 42 Cb -0.14 -4.37 -0.05 0.00 -1.15 0.00 0.00 33.47 27.77 1bk8 s TRP 42 CO -0.08 -2.14 0.43 0.15 0.02 0.00 0.00 176.95 175.32 1bk8 s LYS 43 N 6.08 4.16 -0.38 4.98 -0.14 0.87 0.25 119.74 135.56 1bk8 s LYS 43 Ca 0.52 0.40 -0.28 0.00 -1.36 0.00 0.00 55.97 55.24 1bk8 s LYS 43 Cb -0.11 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.68 1bk8 s LYS 43 CO 0.20 0.40 1.79 0.00 -0.76 0.00 0.00 175.35 176.98 1bk8 s PHE 45 N 7.17 3.54 0.18 0.00 0.40 -0.09 -1.33 117.98 127.85 1bk8 s PHE 45 Ca 0.77 1.04 0.09 0.00 -0.60 0.00 0.00 56.93 58.23 1bk8 s PHE 45 Cb -0.20 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1bk8 s PHE 45 CO 0.32 0.36 -0.13 0.00 0.70 0.00 0.00 175.22 176.46 1bk8 s TYR 47 N -1.68 2.17 0.00 0.00 1.51 -0.06 -0.65 117.35 118.64 1bk8 s TYR 47 Ca 0.24 -1.89 0.00 0.00 -1.01 0.00 0.00 57.07 54.40 1bk8 s TYR 47 Cb -0.09 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1bk8 s TYR 47 CO 0.14 -0.84 0.00 1.19 -1.11 0.00 0.00 175.55 174.92 1bk8 n PHE 48 N 4.72 0.00 0.01 2.71 3.01 -0.12 0.26 117.46 128.05 1bk8 n PHE 48 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.36 1bk8 n PHE 48 Cb 0.43 -0.15 0.03 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.29 4.25 -0.01 4.37 4.13 -1.25 -2.88 115.26 122.58 1bk8 n ASN 49 Ca 0.00 -2.52 0.16 0.00 1.68 0.00 0.00 54.58 53.90 1bk8 n ASN 49 Cb 0.00 -0.78 0.94 0.00 -1.54 0.00 0.00 39.78 38.40 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54