#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knt s THR 2 N 0.00 2.76 0.28 6.31 -1.32 -1.26 -4.91 115.64 117.50 2knt s THR 2 Ca 0.00 0.38 0.30 0.00 -1.21 0.00 0.00 61.69 61.16 2knt s THR 2 Cb 0.00 -2.95 0.30 0.00 -1.51 0.00 0.00 72.50 68.34 2knt s THR 2 CO 0.00 -0.19 1.91 0.44 -2.21 0.00 0.00 174.62 174.56 2knt h ASP 3 N 0.05 0.00 -0.00 8.08 5.19 -2.02 -0.21 116.42 127.51 2knt h ASP 3 Ca -0.48 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 2knt h ASP 3 Cb 1.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2knt h ASP 3 CO 0.52 0.00 -0.04 0.40 -3.12 0.00 0.00 179.24 177.01 2knt h ILE 4 N 0.00 1.08 0.00 0.35 1.08 -1.97 -1.79 117.51 116.26 2knt h ILE 4 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2knt h ILE 4 Cb 0.19 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2knt h ILE 4 CO 0.00 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 2knt n LYS 6 N -2.16 2.07 -2.09 0.00 5.02 -0.68 -4.60 118.16 115.72 2knt n LYS 6 Ca 0.02 -1.68 -0.36 0.00 -2.02 0.00 0.00 58.31 54.27 2knt n LYS 6 Cb 0.21 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 2knt n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2knt s LEU 7 N -2.09 3.75 0.65 -0.35 1.43 -0.94 -4.98 118.68 116.16 2knt s LEU 7 Ca 0.27 2.36 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 2knt s LEU 7 Cb 0.20 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 2knt s LEU 7 CO 0.35 -1.40 1.14 -2.16 0.23 0.00 0.00 176.35 174.52 2knt s PRO 8 N -3.19 2.76 0.22 1.29 0.04 -1.26 -4.91 135.00 129.95 2knt s PRO 8 Ca 0.74 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 63.01 2knt s PRO 8 Cb -0.29 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 2knt s PRO 8 CO 0.33 -1.31 1.50 1.17 0.04 0.00 0.00 177.00 178.73 2knt n LYS 9 N -2.21 2.17 -3.62 4.56 4.81 -1.26 -4.88 118.16 117.72 2knt n LYS 9 Ca 0.12 0.78 -0.28 0.00 -0.87 0.00 0.00 58.31 58.05 2knt n LYS 9 Cb 0.51 -2.49 -0.16 0.00 0.02 0.00 0.00 35.03 32.91 2knt n LYS 9 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2knt s ASP 10 N 0.56 3.36 0.30 3.14 2.15 -1.26 -4.98 116.67 119.94 2knt s ASP 10 Ca 0.72 -1.19 0.25 0.00 0.43 0.00 0.00 52.55 52.76 2knt s ASP 10 Cb -0.64 -0.48 1.01 0.00 -0.30 0.00 0.00 42.92 42.52 2knt s ASP 10 CO 0.45 -0.40 1.76 -0.33 -0.17 0.00 0.00 175.17 176.47 2knt h GLU 11 N 8.32 0.00 0.00 4.34 5.08 -1.93 -3.43 114.58 126.96 2knt h GLU 11 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2knt h GLU 11 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2knt h GLU 11 CO 0.41 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 2knt n GLY 12 N 0.15 0.01 1.70 -3.84 0.00 -1.26 -1.60 105.19 100.35 2knt n GLY 12 Ca 0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2knt n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2knt n THR 13 N 0.00 0.00 0.00 2.61 -2.24 -0.25 -4.74 114.28 109.66 2knt n THR 13 Ca 0.00 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 2knt n THR 13 Cb 0.00 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2knt n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2knt n ARG 15 N -1.50 1.73 -2.99 0.00 5.12 -1.15 -4.50 116.66 113.37 2knt n ARG 15 Ca 0.00 -3.31 -0.40 0.00 -1.93 0.00 0.00 57.85 52.21 2knt n ARG 15 Cb 0.00 -1.57 -0.00 0.00 -1.16 0.00 0.00 32.46 29.73 2knt n ARG 15 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2knt n ASP 16 N -0.91 6.17 -4.71 0.55 8.00 0.12 -5.02 116.55 120.74 2knt n ASP 16 Ca 0.21 -3.49 -0.42 0.00 0.71 0.00 0.00 54.79 51.80 2knt n ASP 16 Cb 0.77 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2knt n ASP 16 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2knt s PHE 17 N -3.10 2.95 -0.01 1.24 0.08 -1.26 -4.08 117.98 113.80 2knt s PHE 17 Ca 0.35 0.62 0.01 0.00 0.12 0.00 0.00 56.93 58.02 2knt s PHE 17 Cb 0.10 -3.89 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 2knt s PHE 17 CO 0.03 -3.32 -0.01 -1.50 -0.10 0.00 0.00 175.22 170.33 2knt s ILE 18 N 1.50 0.17 -0.05 0.64 2.07 -0.39 -4.97 121.20 120.17 2knt s ILE 18 Ca 0.70 -0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.63 2knt s ILE 18 Cb -0.41 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 2knt s ILE 18 CO 0.31 0.10 1.03 -0.76 -1.91 0.00 0.00 174.94 173.71 2knt s LEU 19 N 0.47 4.31 0.40 8.50 1.43 -1.26 -1.20 118.68 131.32 2knt s LEU 19 Ca -0.04 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2knt s LEU 19 Cb -0.07 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2knt s LEU 19 CO -0.01 -0.39 0.06 -0.54 0.23 0.00 0.00 176.35 175.70 2knt s LYS 20 N 1.57 1.88 0.08 1.70 -0.14 -0.19 -4.93 119.74 119.71 2knt s LYS 20 Ca 0.51 -2.11 0.08 0.00 -1.36 0.00 0.00 55.97 53.10 2knt s LYS 20 Cb -0.21 -1.03 -0.03 0.00 -1.68 0.00 0.00 37.83 34.88 2knt s LYS 20 CO 0.23 -0.28 -0.22 -1.58 -0.76 0.00 0.00 175.35 172.75 2knt s TRP 21 N -3.11 1.87 0.10 3.18 0.52 -0.16 -0.86 118.94 120.48 2knt s TRP 21 Ca 0.27 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.04 2knt s TRP 21 Cb 0.06 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.28 2knt s TRP 21 CO 0.13 0.16 -0.11 1.52 0.02 0.00 0.00 176.95 178.67 2knt s TYR 22 N -0.97 1.16 -0.08 -1.98 1.13 -0.52 -0.82 117.35 115.27 2knt s TYR 22 Ca 0.08 -0.62 -0.20 0.00 -1.41 0.00 0.00 57.07 54.92 2knt s TYR 22 Cb -0.09 -0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 40.10 2knt s TYR 22 CO 0.03 0.04 0.56 -0.47 -2.51 0.00 0.00 175.55 173.21 2knt s TYR 23 N -2.29 3.56 -0.40 -3.49 5.04 -1.26 -0.86 117.35 117.65 2knt s TYR 23 Ca 0.06 1.05 -0.12 0.00 -2.44 0.00 0.00 57.07 55.61 2knt s TYR 23 Cb -0.04 -2.63 0.03 0.00 0.35 0.00 0.00 41.96 39.67 2knt s TYR 23 CO 0.01 0.18 0.26 0.34 -1.34 0.00 0.00 175.55 175.00 2knt s ASP 24 N 0.51 5.88 0.58 4.32 -1.08 -0.06 -4.82 116.67 121.98 2knt s ASP 24 Ca 0.30 -1.04 0.35 0.00 -0.52 0.00 0.00 52.55 51.64 2knt s ASP 24 Cb -0.16 -2.08 1.68 0.00 -1.46 0.00 0.00 42.92 40.90 2knt s ASP 24 CO 0.14 -0.44 2.11 1.55 0.52 0.00 0.00 175.17 179.05 2knt h PRO 25 N 8.52 0.00 0.00 4.34 0.13 -1.85 0.98 132.00 144.13 2knt h PRO 25 Ca -0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 2knt h PRO 25 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2knt h PRO 25 CO 0.71 0.04 -0.63 -0.91 -0.23 0.00 0.00 178.00 176.98 2knt h ASN 26 N 0.00 0.00 -0.01 1.44 2.35 -1.94 -3.16 115.58 114.27 2knt h ASN 26 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2knt h ASN 26 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2knt h ASN 26 CO 0.00 0.63 -0.52 0.35 -1.65 0.00 0.00 177.43 176.24 2knt n THR 27 N -3.52 0.00 -3.23 2.81 -2.24 -0.92 -4.98 114.28 102.21 2knt n THR 27 Ca -0.00 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 2knt n THR 27 Cb 0.69 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 70.09 2knt n THR 27 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2knt n LYS 28 N -0.63 -6.05 -3.77 -0.78 5.02 0.29 -4.97 118.16 107.28 2knt n LYS 28 Ca 0.05 0.89 -0.10 0.00 -2.02 0.00 0.00 58.31 57.14 2knt n LYS 28 Cb 0.31 -5.83 -0.04 0.00 -0.02 0.00 0.00 35.03 29.45 2knt n LYS 28 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2knt s SER 29 N -2.93 -0.20 0.13 4.39 1.04 -1.13 -4.79 113.70 110.21 2knt s SER 29 Ca 0.41 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.23 2knt s SER 29 Cb -0.18 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 2knt s SER 29 CO 0.50 -1.01 0.40 0.00 0.98 0.00 0.00 173.24 174.12 2knt s ALA 31 N -1.59 1.12 0.38 0.00 0.00 -0.04 -4.94 121.76 116.68 2knt s ALA 31 Ca 0.39 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 2knt s ALA 31 Cb -0.13 0.27 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 2knt s ALA 31 CO 0.22 -0.25 0.76 1.03 0.00 0.00 0.00 175.76 177.52 2knt s ARG 32 N -3.85 3.85 0.06 0.00 0.52 -1.26 -1.43 118.95 116.84 2knt s ARG 32 Ca 0.16 0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 55.73 2knt s ARG 32 Cb 0.05 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 33.16 2knt s ARG 32 CO -0.02 0.03 0.41 -0.59 0.02 0.00 0.00 175.30 175.15 2knt s PHE 33 N -2.24 -0.25 -0.24 -0.53 -0.71 -0.04 -4.92 117.98 109.05 2knt s PHE 33 Ca 0.52 0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 56.39 2knt s PHE 33 Cb -0.10 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.90 2knt s PHE 33 CO 0.27 -0.60 0.43 -1.58 -1.34 0.00 0.00 175.22 172.39 2knt s TRP 34 N -2.82 3.30 -0.16 3.49 0.52 -1.26 -1.02 118.94 120.99 2knt s TRP 34 Ca -0.03 0.55 -0.05 0.00 0.02 0.00 0.00 56.10 56.59 2knt s TRP 34 Cb -0.00 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 2knt s TRP 34 CO -0.05 -0.17 0.03 -0.47 0.02 0.00 0.00 176.95 176.31 2knt s TYR 35 N 1.88 3.19 -0.98 -1.98 5.04 -0.34 -4.57 117.35 119.59 2knt s TYR 35 Ca 0.18 0.01 0.28 0.00 -2.44 0.00 0.00 57.07 55.11 2knt s TYR 35 Cb -0.15 -1.99 1.15 0.00 0.35 0.00 0.00 41.96 41.31 2knt s TYR 35 CO 0.09 0.18 1.88 0.41 -1.34 0.00 0.00 175.55 176.76 2knt n GLY 36 N 3.25 -1.50 0.00 8.97 0.00 -0.63 -1.27 105.19 114.02 2knt n GLY 36 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2knt n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2knt n GLY 37 N 1.48 2.62 3.20 -0.02 0.00 -1.09 -0.70 105.19 110.69 2knt n GLY 37 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2knt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2knt n GLY 39 N 0.43 0.59 0.00 0.00 0.00 -1.26 -1.09 105.19 103.86 2knt n GLY 39 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2knt n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2knt n GLY 40 N -1.12 -0.06 2.81 -0.02 0.00 -1.26 -4.56 105.19 100.98 2knt n GLY 40 Ca -0.16 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 2knt n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2knt n ASN 41 N -2.77 1.28 -0.02 1.61 0.23 -1.26 -5.06 115.26 109.26 2knt n ASN 41 Ca 0.00 -2.81 0.15 0.00 -0.53 0.00 0.00 54.58 51.38 2knt n ASN 41 Cb 0.00 0.83 0.72 0.00 -2.08 0.00 0.00 39.78 39.25 2knt n ASN 41 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2knt n GLU 42 N -0.78 0.42 -2.44 -3.83 1.02 -1.26 -4.28 120.64 109.49 2knt n GLU 42 Ca -0.05 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.62 2knt n GLU 42 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2knt n GLU 42 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2knt n ASN 43 N -1.26 4.97 -3.57 1.62 2.85 -1.26 -4.80 115.26 113.81 2knt n ASN 43 Ca 0.14 -3.03 -0.00 0.00 -0.11 0.00 0.00 54.58 51.57 2knt n ASN 43 Cb 0.26 -1.54 -0.04 0.00 1.24 0.00 0.00 39.78 39.70 2knt n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2knt s LYS 44 N 1.30 0.56 0.06 1.20 2.20 -1.25 -4.48 119.74 119.33 2knt s LYS 44 Ca 0.42 1.35 0.03 0.00 -0.36 0.00 0.00 55.97 57.41 2knt s LYS 44 Cb 0.06 0.81 -0.03 0.00 -1.51 0.00 0.00 37.83 37.16 2knt s LYS 44 CO -0.00 -0.25 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.58 2knt s PHE 45 N 2.87 0.88 -0.78 4.03 0.40 0.00 -4.93 117.98 120.45 2knt s PHE 45 Ca -0.02 -0.56 0.26 0.00 -0.60 0.00 0.00 56.93 56.01 2knt s PHE 45 Cb -0.12 -0.51 0.81 0.00 0.51 0.00 0.00 43.02 43.71 2knt s PHE 45 CO -0.19 -0.04 1.72 0.41 0.70 0.00 0.00 175.22 177.82 2knt n GLY 46 N 1.10 -1.61 3.14 4.36 0.00 -1.26 -0.99 105.19 109.93 2knt n GLY 46 Ca -0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2knt n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2knt s SER 47 N -4.13 0.20 0.36 1.61 1.04 -1.26 -4.84 113.70 106.68 2knt s SER 47 Ca 0.11 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2knt s SER 47 Cb 0.14 0.26 0.67 0.00 0.10 0.00 0.00 66.02 67.19 2knt s SER 47 CO 0.61 -0.60 1.95 -0.61 0.98 0.00 0.00 173.24 175.57 2knt h GLN 48 N 3.27 0.61 -0.36 4.02 4.15 -1.97 -2.69 115.11 122.14 2knt h GLN 48 Ca -0.33 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 58.94 2knt h GLN 48 Cb 1.18 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 2knt h GLN 48 CO 0.55 0.51 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.70 2knt h LYS 49 N 0.60 0.66 -0.45 1.69 3.64 -1.99 -0.54 116.57 120.19 2knt h LYS 49 Ca 0.15 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2knt h LYS 49 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2knt h LYS 49 CO -0.01 0.80 -0.02 1.49 -2.27 0.00 0.00 179.45 179.43 2knt h GLU 50 N 0.46 0.81 -0.56 1.90 4.57 -1.95 -1.81 114.58 118.01 2knt h GLU 50 Ca 0.10 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2knt h GLU 50 Cb 0.53 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 2knt h GLU 50 CO 0.03 0.88 0.33 0.00 -1.18 0.00 0.00 179.01 179.07 2knt h GLU 52 N 0.64 0.64 -0.36 0.00 4.39 -0.95 -1.46 114.58 117.49 2knt h GLU 52 Ca 0.24 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2knt h GLU 52 Cb 0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2knt h GLU 52 CO -0.12 0.78 0.08 0.87 -1.16 0.00 0.00 179.01 179.46 2knt h LYS 53 N 0.58 0.57 -0.00 2.33 1.57 -0.95 -1.96 116.57 118.70 2knt h LYS 53 Ca 0.09 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2knt h LYS 53 Cb 0.62 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2knt h LYS 53 CO 0.04 0.62 -0.79 0.28 -0.57 0.00 0.00 179.45 179.04 2knt h VAL 54 N 0.42 1.54 0.00 0.50 2.07 -1.24 -3.41 116.25 116.13 2knt h VAL 54 Ca 0.11 -2.62 -0.07 0.00 0.82 0.00 0.00 66.70 64.94 2knt h VAL 54 Cb 0.31 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2knt h VAL 54 CO 0.00 0.75 -1.27 0.00 0.02 0.00 0.00 177.57 177.07 2knt s ALA 56 N -2.10 3.02 0.10 0.00 0.00 -0.75 -3.31 121.76 118.72 2knt s ALA 56 Ca -0.04 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.22 2knt s ALA 56 Cb 0.01 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 2knt s ALA 56 CO 0.14 -0.03 1.70 -1.00 0.00 0.00 0.00 175.76 176.56 2knt h PRO 57 N 2.05 0.18 0.00 0.00 0.13 -1.87 -3.47 132.00 129.02 2knt h PRO 57 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2knt h PRO 57 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2knt h PRO 57 CO 0.61 0.19 0.00 1.55 -0.23 0.00 0.00 178.00 180.12