#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 6.28 0.32 -3.52 0.00 6.94 -1.26 -4.82 115.26 119.20 1bk8 n ASN 3 Ca 0.51 -1.40 -0.35 0.00 -0.02 0.00 0.00 54.58 53.32 1bk8 n ASN 3 Cb 0.34 -0.16 0.03 0.00 -2.36 0.00 0.00 39.78 37.63 1bk8 n ASN 3 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1bk8 n GLU 4 N -0.20 -1.89 -4.30 -3.83 0.00 -1.25 -4.90 120.64 104.28 1bk8 n GLU 4 Ca 0.00 1.35 -0.24 0.00 0.00 0.00 0.00 57.16 58.27 1bk8 n GLU 4 Cb 0.08 -2.29 -0.12 0.00 0.00 0.00 0.00 31.44 29.11 1bk8 n GLU 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1bk8 s ARG 5 N -2.87 1.15 0.89 5.31 0.52 0.47 -4.95 118.95 119.48 1bk8 s ARG 5 Ca 0.31 -1.19 -0.14 0.00 -0.52 0.00 0.00 55.73 54.19 1bk8 s ARG 5 Cb -0.03 -1.42 0.14 0.00 0.52 0.00 0.00 34.95 34.16 1bk8 s ARG 5 CO 0.88 0.33 1.26 -1.25 0.02 0.00 0.00 175.30 176.53 1bk8 s PRO 6 N -1.98 1.26 -0.51 3.54 0.04 -1.26 -0.30 135.00 135.79 1bk8 s PRO 6 Ca 0.08 -0.17 -0.39 0.00 0.04 0.00 0.00 61.00 60.55 1bk8 s PRO 6 Cb -0.10 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.38 1bk8 s PRO 6 CO 0.05 -2.03 2.23 -1.13 0.04 0.00 0.00 177.00 176.15 1bk8 n SER 7 N -3.56 1.16 -0.13 6.66 3.41 0.83 -4.55 113.62 117.45 1bk8 n SER 7 Ca 0.12 0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 59.00 1bk8 n SER 7 Cb 0.60 -1.03 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 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 7.87 0.63 0.09 4.33 6.02 -1.26 -4.69 117.38 130.37 1bk8 n GLN 8 Ca 0.52 0.21 -0.07 0.00 -0.01 0.00 0.00 57.00 57.65 1bk8 n GLN 8 Cb 0.07 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 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 -0.47 0.25 -1.84 5.09 1.35 -1.99 -3.44 112.91 111.86 1bk8 h THR 9 Ca -0.63 -0.87 -0.49 0.00 -0.55 0.00 0.00 66.41 63.88 1bk8 h THR 9 Cb 1.76 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1bk8 h THR 9 CO -0.24 0.07 1.51 0.86 -0.25 0.00 0.00 175.52 177.47 1bk8 s TRP 10 N -2.91 1.32 -0.84 4.73 -0.11 -1.26 -4.82 118.94 115.05 1bk8 s TRP 10 Ca -0.08 1.17 -0.07 0.00 1.22 0.00 0.00 56.10 58.35 1bk8 s TRP 10 Cb 0.00 -3.81 -0.07 0.00 -1.50 0.00 0.00 33.47 28.10 1bk8 s TRP 10 CO 0.25 -2.62 3.00 0.43 -4.62 0.00 0.00 176.95 173.39 1bk8 n SER 11 N 14.16 7.11 0.00 5.86 7.64 -1.26 -4.79 113.62 142.33 1bk8 n SER 11 Ca 0.30 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1bk8 n SER 11 Cb 0.53 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 2.30 -0.62 3.89 0.23 0.00 -1.26 -5.15 105.19 104.58 1bk8 n GLY 12 Ca 0.59 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 6.30 0.79 1.61 2.47 -1.26 -4.68 114.94 116.17 1bk8 s ASN 13 Ca 0.00 1.07 -0.14 0.00 0.42 0.00 0.00 52.86 54.21 1bk8 s ASN 13 Cb 0.00 -2.31 0.05 0.00 -1.45 0.00 0.00 41.25 37.54 1bk8 s ASN 13 CO 0.00 -0.62 1.06 0.00 -3.72 0.00 0.00 177.10 173.82 1bk8 n GLY 15 N 0.82 -0.10 2.83 0.00 0.00 -1.26 -5.01 105.19 102.46 1bk8 n GLY 15 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.07 1.00 0.53 1.61 3.84 -1.26 -5.02 114.94 110.56 1bk8 s ASN 16 Ca 0.00 0.11 0.20 0.00 0.21 0.00 0.00 52.86 53.38 1bk8 s ASN 16 Cb 0.00 0.40 1.36 0.00 -0.55 0.00 0.00 41.25 42.46 1bk8 s ASN 16 CO 0.00 -0.28 2.10 0.00 -2.79 0.00 0.00 177.10 176.13 1bk8 h THR 17 N 6.33 0.86 0.00 -5.21 1.03 -1.97 0.74 112.91 114.68 1bk8 h THR 17 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1bk8 h THR 17 Cb 1.13 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1bk8 h THR 17 CO 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.72 1bk8 h ALA 18 N 1.90 1.00 0.00 0.00 0.00 -1.97 -0.07 119.26 120.13 1bk8 h ALA 18 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1bk8 h ALA 18 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bk8 h ALA 18 CO -0.00 0.00 -0.75 1.25 0.00 0.00 0.00 179.25 179.75 1bk8 h HIS 19 N 0.00 0.02 -0.88 0.00 6.17 -1.32 -3.38 115.15 115.75 1bk8 h HIS 19 Ca 0.00 -0.01 0.22 0.00 0.71 0.00 0.00 60.37 61.29 1bk8 h HIS 19 Cb 0.31 -0.00 -0.16 0.00 2.52 0.00 0.00 27.41 30.08 1bk8 h HIS 19 CO 0.00 1.29 0.02 0.00 0.71 0.00 0.00 177.93 179.95 1bk8 h ASP 21 N 0.07 0.99 0.41 0.00 3.58 -1.20 -0.85 116.42 119.42 1bk8 h ASP 21 Ca 0.51 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 1bk8 h ASP 21 Cb 0.97 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1bk8 h ASP 21 CO -0.80 0.92 -0.20 0.11 -2.88 0.00 0.00 179.24 176.40 1bk8 h LYS 22 N 1.03 -0.53 -0.57 0.28 1.57 -0.73 -3.17 116.57 114.44 1bk8 h LYS 22 Ca 0.23 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.15 1bk8 h LYS 22 Cb 0.28 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 1bk8 h LYS 22 CO -0.01 -0.24 -0.30 0.37 -0.57 0.00 0.00 179.45 178.70 1bk8 h GLN 23 N -0.80 -0.14 -0.94 3.15 5.75 -0.51 0.23 115.11 121.85 1bk8 h GLN 23 Ca -0.06 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1bk8 h GLN 23 Cb 0.54 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 1bk8 h GLN 23 CO 0.09 -0.09 0.61 0.00 -2.65 0.00 0.00 178.83 176.79 1bk8 h GLN 25 N 1.07 -0.24 0.67 0.00 4.20 -0.84 0.12 115.11 120.09 1bk8 h GLN 25 Ca 0.41 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 1bk8 h GLN 25 Cb 0.21 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1bk8 h GLN 25 CO -0.16 0.06 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.29 1bk8 h ASP 26 N -0.99 -0.76 0.00 1.46 3.32 -0.53 -3.36 116.42 115.55 1bk8 h ASP 26 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1bk8 h ASP 26 Cb 0.41 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1bk8 h ASP 26 CO 0.04 -0.42 -0.01 -0.50 -1.72 0.00 0.00 179.24 176.63 1bk8 h TRP 27 N -1.13 0.00 0.04 4.55 4.06 -0.57 -3.44 115.95 119.46 1bk8 h TRP 27 Ca -0.09 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 1bk8 h TRP 27 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1bk8 h TRP 27 CO 0.00 0.00 -0.02 1.49 -3.56 0.00 0.00 178.44 176.35 1bk8 h GLU 28 N -0.16 -0.05 0.00 0.49 4.81 -1.36 -3.48 114.58 114.82 1bk8 h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bk8 h GLU 28 Cb 0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1bk8 h GLU 28 CO 0.00 0.60 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 1bk8 n LYS 29 N -4.77 0.00 -4.49 1.92 4.76 0.17 -5.04 118.16 110.70 1bk8 n LYS 29 Ca -0.08 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.12 1bk8 n LYS 29 Cb 0.33 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.41 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 2.60 0.17 7.82 0.00 0.15 -4.89 121.76 127.61 1bk8 s ALA 30 Ca 0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.74 1bk8 s ALA 30 Cb 0.00 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.53 1bk8 s ALA 30 CO 0.00 -0.17 1.79 0.77 0.00 0.00 0.00 175.76 178.15 1bk8 h SER 31 N 2.07 0.63 -2.75 0.00 0.02 0.45 -3.37 113.55 110.60 1bk8 h SER 31 Ca -0.41 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.53 1bk8 h SER 31 Cb 1.24 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1bk8 h SER 31 CO 0.72 0.52 0.43 0.00 -1.14 0.00 0.00 176.83 177.35 1bk8 n HIS 32 N -4.67 -1.87 -4.25 3.45 1.44 -1.17 -4.88 115.22 103.28 1bk8 n HIS 32 Ca 0.02 -1.56 -0.15 0.00 -2.01 0.00 0.00 57.72 54.02 1bk8 n HIS 32 Cb 0.06 0.77 -0.09 0.00 0.12 0.00 0.00 29.99 30.85 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 -3.24 1.78 -0.29 -1.39 0.00 -1.23 -0.98 107.32 101.97 1bk8 s GLY 33 Ca 0.19 -1.81 -0.20 0.00 0.00 0.00 0.00 44.72 42.89 1bk8 s GLY 33 CO 0.09 -1.46 1.22 0.00 0.00 0.00 0.00 173.10 172.95 1bk8 s ALA 34 N -3.87 -2.33 0.45 3.20 0.00 0.51 -4.14 121.76 115.58 1bk8 s ALA 34 Ca 0.39 1.91 -0.21 0.00 0.00 0.00 0.00 51.96 54.05 1bk8 s ALA 34 Cb 0.06 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.31 1bk8 s ALA 34 CO 0.17 -0.24 1.00 0.00 0.00 0.00 0.00 175.76 176.70 1bk8 s HIS 36 N -2.00 0.04 0.01 0.00 3.76 0.21 -4.88 115.29 112.43 1bk8 s HIS 36 Ca 0.64 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.90 1bk8 s HIS 36 Cb -0.14 0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 1bk8 s HIS 36 CO 0.18 -0.80 0.82 0.21 -0.85 0.00 0.00 174.74 174.30 1bk8 s LYS 37 N -3.89 4.51 -0.12 1.40 2.20 -1.26 -0.43 119.74 122.16 1bk8 s LYS 37 Ca 0.10 1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 56.76 1bk8 s LYS 37 Cb 0.01 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1bk8 s LYS 37 CO -0.04 0.13 0.31 1.03 -0.36 0.00 0.00 175.35 176.42 1bk8 s ARG 38 N 0.45 0.32 -1.54 4.03 1.81 -0.17 -4.86 118.95 118.98 1bk8 s ARG 38 Ca 0.42 0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 54.96 1bk8 s ARG 38 Cb -0.20 0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.34 1bk8 s ARG 38 CO 0.23 -0.10 0.06 0.39 -0.68 0.00 0.00 175.30 175.20 1bk8 n GLU 39 N 3.60 -2.15 -1.47 3.54 1.02 -1.26 -0.11 120.64 123.81 1bk8 n GLU 39 Ca -0.19 0.87 -0.16 0.00 -0.02 0.00 0.00 57.16 57.66 1bk8 n GLU 39 Cb 0.56 -5.54 -0.07 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.00 -4.23 -4.26 1.62 5.15 -1.26 -4.96 115.26 105.31 1bk8 n ASN 40 Ca -0.20 0.40 -0.35 0.00 -0.60 0.00 0.00 54.58 53.83 1bk8 n ASN 40 Cb 0.66 -3.85 -0.14 0.00 -0.53 0.00 0.00 39.78 35.92 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 -2.36 2.99 -0.54 1.20 3.76 0.84 -5.07 115.29 116.10 1bk8 s HIS 41 Ca 0.00 -1.21 -0.28 0.00 -0.15 0.00 0.00 55.06 53.42 1bk8 s HIS 41 Cb 0.00 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.62 1bk8 s HIS 41 CO 0.00 -0.64 1.41 -1.58 -0.85 0.00 0.00 174.74 173.09 1bk8 s TRP 42 N 1.41 2.30 0.08 1.40 0.52 -1.26 -1.00 118.94 122.38 1bk8 s TRP 42 Ca 0.04 0.50 0.03 0.00 0.02 0.00 0.00 56.10 56.69 1bk8 s TRP 42 Cb -0.15 -4.38 -0.04 0.00 -1.15 0.00 0.00 33.47 27.75 1bk8 s TRP 42 CO -0.04 -1.97 0.08 0.15 0.02 0.00 0.00 176.95 175.19 1bk8 s LYS 43 N 5.44 2.90 0.24 4.98 -0.14 0.43 0.08 119.74 133.67 1bk8 s LYS 43 Ca 0.53 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 1bk8 s LYS 43 Cb -0.11 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.21 1bk8 s LYS 43 CO 0.26 0.57 1.40 0.00 -0.76 0.00 0.00 175.35 176.82 1bk8 s PHE 45 N -0.02 1.98 0.16 0.00 0.40 -0.15 -0.12 117.98 120.24 1bk8 s PHE 45 Ca 0.58 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.57 1bk8 s PHE 45 Cb -0.40 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1bk8 s PHE 45 CO 0.42 0.39 -0.17 0.00 0.70 0.00 0.00 175.22 176.56 1bk8 s TYR 47 N -2.17 1.12 -0.10 0.00 1.51 -0.15 -0.40 117.35 117.15 1bk8 s TYR 47 Ca 0.16 -1.21 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 1bk8 s TYR 47 Cb -0.05 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1bk8 s TYR 47 CO 0.06 -0.77 -0.00 0.74 -1.11 0.00 0.00 175.55 174.47 1bk8 h PHE 48 N 8.22 0.00 -2.06 2.71 -1.00 -1.85 0.19 116.94 123.15 1bk8 h PHE 48 Ca -0.16 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.00 1bk8 h PHE 48 Cb 1.05 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.21 1bk8 h PHE 48 CO 0.31 0.02 -0.44 0.27 -1.61 0.00 0.00 178.31 176.86 1bk8 n ASN 49 N -4.76 4.94 0.00 2.17 0.23 -1.23 -1.54 115.26 115.07 1bk8 n ASN 49 Ca -0.01 -3.70 0.12 0.00 -0.53 0.00 0.00 54.58 50.46 1bk8 n ASN 49 Cb 0.03 -0.61 0.70 0.00 -2.08 0.00 0.00 39.78 37.82 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33