#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 7.79 5.71 -0.08 0.00 -0.87 0.02 -4.80 114.94 122.70 1bk8 s ASN 3 Ca 0.69 -0.75 -0.30 0.00 -1.57 0.00 0.00 52.86 50.93 1bk8 s ASN 3 Cb -0.06 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 1bk8 s ASN 3 CO -0.01 -2.20 1.31 -0.70 -2.57 0.00 0.00 177.10 172.94 1bk8 s GLU 4 N 6.23 4.27 0.00 -0.60 2.12 -1.26 -0.84 118.70 128.63 1bk8 s GLU 4 Ca 0.58 1.79 0.00 0.00 0.36 0.00 0.00 54.97 57.70 1bk8 s GLU 4 Cb -0.06 -3.68 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 1bk8 s GLU 4 CO 0.01 -0.61 -0.02 0.50 -0.54 0.00 0.00 175.26 174.60 1bk8 s ARG 5 N 2.91 0.15 1.10 4.30 3.52 0.69 -4.99 118.95 126.62 1bk8 s ARG 5 Ca 0.59 -0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.91 1bk8 s ARG 5 Cb -0.26 -0.09 0.24 0.00 -1.56 0.00 0.00 34.95 33.28 1bk8 s ARG 5 CO 0.21 0.02 1.09 -1.25 -0.81 0.00 0.00 175.30 174.56 1bk8 s PRO 6 N -0.24 -0.38 -0.25 5.12 0.04 -1.26 -0.58 135.00 137.45 1bk8 s PRO 6 Ca -0.02 0.30 -0.32 0.00 0.04 0.00 0.00 61.00 61.00 1bk8 s PRO 6 Cb -0.02 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1bk8 s PRO 6 CO -0.00 -3.23 2.15 -1.13 0.04 0.00 0.00 177.00 174.83 1bk8 n SER 7 N -4.48 2.83 -0.08 6.66 3.41 -0.79 -4.52 113.62 116.65 1bk8 n SER 7 Ca 0.08 0.42 -0.07 0.00 -0.26 0.00 0.00 58.87 59.04 1bk8 n SER 7 Cb 0.58 -1.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 8.17 0.47 -0.03 4.33 6.02 -1.26 -4.65 117.38 130.43 1bk8 n GLN 8 Ca 0.33 0.52 -0.13 0.00 -0.01 0.00 0.00 57.00 57.71 1bk8 n GLN 8 Cb 0.33 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.00 1.48 -4.06 5.09 1.35 -1.95 -3.46 112.91 110.37 1bk8 h THR 9 Ca -0.05 -1.61 -0.53 0.00 -0.55 0.00 0.00 66.41 63.67 1bk8 h THR 9 Cb 0.64 2.55 0.11 0.00 -1.73 0.00 0.00 68.15 69.73 1bk8 h THR 9 CO -0.03 0.41 0.52 0.86 -0.25 0.00 0.00 175.52 177.02 1bk8 s TRP 10 N -3.37 2.48 0.00 4.73 -0.11 -1.26 -5.04 118.94 116.37 1bk8 s TRP 10 Ca -0.17 1.48 0.00 0.00 1.22 0.00 0.00 56.10 58.63 1bk8 s TRP 10 Cb -0.00 -3.56 0.00 0.00 -1.50 0.00 0.00 33.47 28.41 1bk8 s TRP 10 CO 0.66 -2.26 0.00 0.43 -4.62 0.00 0.00 176.95 171.16 1bk8 n SER 11 N -1.13 0.00 0.00 5.86 7.64 -1.26 -4.81 113.62 119.92 1bk8 n SER 11 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1bk8 n SER 11 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 5.00 -1.03 3.92 0.23 0.00 -1.26 -4.84 105.19 107.21 1bk8 n GLY 12 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.70 4.51 0.04 1.61 2.47 -1.25 -4.21 114.94 116.41 1bk8 s ASN 13 Ca 0.00 0.56 -0.17 0.00 0.42 0.00 0.00 52.86 53.68 1bk8 s ASN 13 Cb 0.00 -1.08 0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1bk8 s ASN 13 CO 0.00 -1.85 0.38 0.00 -3.72 0.00 0.00 177.10 171.91 1bk8 n GLY 15 N 0.60 -0.56 3.35 0.00 0.00 -1.26 -4.76 105.19 102.56 1bk8 n GLY 15 Ca -0.19 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.33 3.47 0.26 1.61 2.85 -1.26 -4.73 115.26 115.14 1bk8 n ASN 16 Ca 0.00 -2.76 0.12 0.00 -0.11 0.00 0.00 54.58 51.83 1bk8 n ASN 16 Cb 0.00 -1.58 0.73 0.00 1.24 0.00 0.00 39.78 40.17 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 5.33 0.63 0.40 -0.44 1.03 -1.98 0.44 112.91 118.31 1bk8 h THR 17 Ca 0.37 -0.46 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 1bk8 h THR 17 Cb 0.82 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1bk8 h THR 17 CO 1.55 0.11 -0.19 0.00 -0.01 0.00 0.00 175.52 176.98 1bk8 h ALA 18 N 1.89 -0.53 -0.76 0.00 0.00 -1.94 -0.51 119.26 117.41 1bk8 h ALA 18 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1bk8 h ALA 18 Cb 0.28 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1bk8 h ALA 18 CO 0.01 -0.80 0.46 1.25 0.00 0.00 0.00 179.25 180.18 1bk8 h HIS 19 N -0.53 0.85 -0.40 0.00 6.17 -1.56 0.11 115.15 119.78 1bk8 h HIS 19 Ca -0.05 0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.14 1bk8 h HIS 19 Cb 0.41 -0.27 -0.09 0.00 2.52 0.00 0.00 27.41 29.98 1bk8 h HIS 19 CO -0.05 0.44 -0.18 0.00 0.71 0.00 0.00 177.93 178.85 1bk8 h ASP 21 N -0.10 0.81 -0.06 0.00 3.58 -0.18 -0.65 116.42 119.82 1bk8 h ASP 21 Ca 0.20 -0.17 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1bk8 h ASP 21 Cb 0.41 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 1bk8 h ASP 21 CO -0.47 0.76 -0.38 0.11 -2.88 0.00 0.00 179.24 176.37 1bk8 h LYS 22 N 0.82 -0.48 -0.06 0.28 1.57 0.16 -0.63 116.57 118.22 1bk8 h LYS 22 Ca 0.20 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1bk8 h LYS 22 Cb 0.19 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1bk8 h LYS 22 CO -0.02 -0.32 -0.29 1.96 -0.57 0.00 0.00 179.45 180.21 1bk8 h GLN 23 N -0.50 -0.39 -0.94 3.15 4.20 -0.38 0.31 115.11 120.57 1bk8 h GLN 23 Ca 0.07 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1bk8 h GLN 23 Cb 0.61 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 1bk8 h GLN 23 CO -0.34 -0.26 0.61 0.00 -0.67 0.00 0.00 178.83 178.17 1bk8 h GLN 25 N 1.09 0.35 0.00 0.00 4.20 -0.89 0.76 115.11 120.62 1bk8 h GLN 25 Ca 0.40 -0.59 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1bk8 h GLN 25 Cb 0.18 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1bk8 h GLN 25 CO -0.15 1.28 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.64 1bk8 h ASP 26 N -0.15 0.00 0.25 1.46 3.32 -0.03 -3.36 116.42 117.90 1bk8 h ASP 26 Ca -0.27 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1bk8 h ASP 26 Cb 1.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.43 1bk8 h ASP 26 CO 0.15 0.65 -0.12 -0.50 -1.72 0.00 0.00 179.24 177.70 1bk8 h TRP 27 N -1.00 -0.31 0.00 4.55 4.06 -0.58 -3.44 115.95 119.23 1bk8 h TRP 27 Ca -0.01 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1bk8 h TRP 27 Cb 0.27 0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1bk8 h TRP 27 CO -0.05 -0.09 0.00 0.39 -3.56 0.00 0.00 178.44 175.13 1bk8 n GLU 28 N -4.99 3.05 -2.71 0.49 1.02 -0.23 -5.03 120.64 112.24 1bk8 n GLU 28 Ca -0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.01 1bk8 n GLU 28 Cb 0.18 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.70 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 1.04 -3.37 3.49 4.76 -0.57 -4.58 118.16 118.93 1bk8 n LYS 29 Ca 0.00 -1.76 -0.24 0.00 -2.87 0.00 0.00 58.31 53.45 1bk8 n LYS 29 Cb 0.00 -0.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.76 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 0.21 3.70 0.16 7.82 0.00 0.16 -4.82 121.76 128.98 1bk8 s ALA 30 Ca 0.21 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 1bk8 s ALA 30 Cb 0.34 -2.11 0.09 0.00 0.00 0.00 0.00 23.12 21.43 1bk8 s ALA 30 CO -0.08 -0.03 1.77 0.77 0.00 0.00 0.00 175.76 178.19 1bk8 h SER 31 N 0.75 0.24 -2.89 0.00 0.02 -0.33 -3.37 113.55 107.95 1bk8 h SER 31 Ca -0.50 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 1bk8 h SER 31 Cb 1.22 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1bk8 h SER 31 CO 0.61 0.18 0.18 0.00 -1.14 0.00 0.00 176.83 176.66 1bk8 n HIS 32 N -4.96 -2.06 -4.40 3.45 1.44 -1.14 -4.89 115.22 102.65 1bk8 n HIS 32 Ca 0.02 -1.70 -0.20 0.00 -2.01 0.00 0.00 57.72 53.83 1bk8 n HIS 32 Cb 0.13 0.76 -0.10 0.00 0.12 0.00 0.00 29.99 30.89 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 -2.83 1.79 -0.28 -1.39 0.00 -1.26 -0.77 107.32 102.59 1bk8 s GLY 33 Ca 0.16 -1.89 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 1bk8 s GLY 33 CO 0.12 -1.79 0.89 0.00 0.00 0.00 0.00 173.10 172.32 1bk8 s ALA 34 N -3.18 -1.91 0.36 3.20 0.00 0.41 -4.28 121.76 116.35 1bk8 s ALA 34 Ca 0.30 1.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.99 1bk8 s ALA 34 Cb 0.05 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 1bk8 s ALA 34 CO 0.12 -0.29 1.09 0.00 0.00 0.00 0.00 175.76 176.68 1bk8 s HIS 36 N -1.43 -0.01 -0.16 0.00 3.76 0.62 -4.88 115.29 113.19 1bk8 s HIS 36 Ca 0.53 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.17 1bk8 s HIS 36 Cb -0.27 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 1bk8 s HIS 36 CO 0.34 -0.27 0.87 0.21 -0.85 0.00 0.00 174.74 175.05 1bk8 s LYS 37 N -1.16 4.32 -0.06 1.40 2.20 -1.26 0.08 119.74 125.26 1bk8 s LYS 37 Ca -0.12 1.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 1bk8 s LYS 37 Cb -0.06 -3.57 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1bk8 s LYS 37 CO 0.02 -0.33 -0.00 0.50 -0.36 0.00 0.00 175.35 175.17 1bk8 s ARG 38 N 2.16 0.56 -1.57 4.03 6.06 0.05 -4.81 118.95 125.42 1bk8 s ARG 38 Ca 0.40 0.09 -0.15 0.00 -2.50 0.00 0.00 55.73 53.57 1bk8 s ARG 38 Cb -0.17 -0.85 0.10 0.00 0.06 0.00 0.00 34.95 34.09 1bk8 s ARG 38 CO 0.13 -0.24 0.91 0.39 -2.50 0.00 0.00 175.30 173.99 1bk8 n GLU 39 N 4.84 -4.84 -1.56 5.12 1.02 -1.26 -0.48 120.64 123.47 1bk8 n GLU 39 Ca -0.12 0.54 -0.18 0.00 -0.02 0.00 0.00 57.16 57.37 1bk8 n GLU 39 Cb 0.50 -5.39 -0.08 0.00 -0.02 0.00 0.00 31.44 26.46 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 -5.22 -4.18 1.62 5.15 -1.26 -5.00 115.26 103.62 1bk8 n ASN 40 Ca 0.05 0.44 -0.34 0.00 -0.60 0.00 0.00 54.58 54.13 1bk8 n ASN 40 Cb 0.52 -4.33 -0.15 0.00 -0.53 0.00 0.00 39.78 35.28 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 -2.69 2.82 -0.62 1.20 3.76 0.37 -5.08 115.29 115.06 1bk8 s HIS 41 Ca 0.00 -1.41 -0.27 0.00 -0.15 0.00 0.00 55.06 53.23 1bk8 s HIS 41 Cb 0.00 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1bk8 s HIS 41 CO 0.00 -0.71 1.53 -1.58 -0.85 0.00 0.00 174.74 173.12 1bk8 s TRP 42 N 1.30 2.07 -0.03 1.40 0.52 -1.26 -0.77 118.94 122.17 1bk8 s TRP 42 Ca 0.04 0.42 -0.14 0.00 0.02 0.00 0.00 56.10 56.45 1bk8 s TRP 42 Cb -0.14 -4.36 -0.05 0.00 -1.15 0.00 0.00 33.47 27.77 1bk8 s TRP 42 CO -0.09 -2.14 0.37 0.15 0.02 0.00 0.00 176.95 175.25 1bk8 s LYS 43 N 6.06 3.87 -0.47 4.98 -0.14 0.11 -0.25 119.74 133.90 1bk8 s LYS 43 Ca 0.53 0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 55.18 1bk8 s LYS 43 Cb -0.11 -3.23 -0.02 0.00 -1.68 0.00 0.00 37.83 32.79 1bk8 s LYS 43 CO 0.21 0.67 1.80 0.00 -0.76 0.00 0.00 175.35 177.27 1bk8 s PHE 45 N 7.86 3.58 0.16 0.00 0.40 0.18 -1.89 117.98 128.26 1bk8 s PHE 45 Ca 0.72 1.23 0.09 0.00 -0.60 0.00 0.00 56.93 58.37 1bk8 s PHE 45 Cb -0.17 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1bk8 s PHE 45 CO 0.27 0.32 -0.16 0.00 0.70 0.00 0.00 175.22 176.36 1bk8 s TYR 47 N -1.47 1.91 0.64 0.00 1.51 0.05 -0.22 117.35 119.78 1bk8 s TYR 47 Ca 0.21 -1.72 0.06 0.00 -1.01 0.00 0.00 57.07 54.61 1bk8 s TYR 47 Cb -0.09 -1.70 0.11 0.00 -0.11 0.00 0.00 41.96 40.17 1bk8 s TYR 47 CO 0.12 -0.82 0.89 -0.06 -1.11 0.00 0.00 175.55 174.56 1bk8 s PHE 48 N 1.55 1.29 -0.40 2.71 0.40 -0.02 0.42 117.98 123.94 1bk8 s PHE 48 Ca 0.06 -0.62 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1bk8 s PHE 48 Cb -0.18 -2.47 0.05 0.00 0.51 0.00 0.00 43.02 40.93 1bk8 s PHE 48 CO -0.18 -1.44 0.13 0.09 0.70 0.00 0.00 175.22 174.52 1bk8 n ASN 49 N -2.49 -0.91 0.00 1.36 3.02 -1.26 -0.80 115.26 114.17 1bk8 n ASN 49 Ca 0.16 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 1bk8 n ASN 49 Cb 0.61 -0.86 0.68 0.00 -0.61 0.00 0.00 39.78 39.60 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64