#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kne s TYR 24 N 0.00 1.52 0.15 -1.84 1.51 -1.26 -5.11 117.35 112.32 1kne s TYR 24 Ca 0.00 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1kne s TYR 24 Cb 0.00 -1.02 -0.10 0.00 -0.11 0.00 0.00 41.96 40.73 1kne s TYR 24 CO 0.00 -0.12 1.60 0.00 -1.11 0.00 0.00 175.55 175.92 1kne s ALA 25 N -0.03 3.78 -0.17 3.71 0.00 -1.26 -4.99 121.76 122.79 1kne s ALA 25 Ca -0.01 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.17 1kne s ALA 25 Cb -0.10 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1kne s ALA 25 CO 0.01 -0.84 0.32 0.08 0.00 0.00 0.00 175.76 175.33 1kne s VAL 26 N 1.38 5.28 -0.12 0.00 1.01 -1.26 -2.67 120.40 124.02 1kne s VAL 26 Ca 0.71 0.60 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 1kne s VAL 26 Cb -0.44 -3.66 -0.27 0.00 0.00 0.00 0.00 36.38 32.01 1kne s VAL 26 CO 0.31 0.36 0.71 -0.08 0.00 0.00 0.00 175.10 176.40 1kne h GLU 27 N 6.85 0.12 -1.95 2.72 4.81 -1.20 -3.44 114.58 122.49 1kne h GLU 27 Ca -0.40 -0.21 0.16 0.00 -0.13 0.00 0.00 59.36 58.78 1kne h GLU 27 Cb 1.16 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 1kne h GLU 27 CO 0.75 1.10 0.61 -1.59 -0.73 0.00 0.00 179.01 179.15 1kne s LYS 28 N -2.33 0.62 -0.30 1.92 -2.85 -1.16 -4.99 119.74 110.64 1kne s LYS 28 Ca -0.19 -0.20 -0.17 0.00 -1.00 0.00 0.00 55.97 54.41 1kne s LYS 28 Cb 0.00 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1kne s LYS 28 CO 0.73 -0.27 0.48 0.42 0.10 0.00 0.00 175.35 176.82 1kne s ILE 29 N -2.73 5.07 -0.02 3.79 1.01 -1.26 -1.88 121.20 125.18 1kne s ILE 29 Ca 0.06 0.59 0.12 0.00 0.00 0.00 0.00 60.65 61.42 1kne s ILE 29 Cb -0.01 -3.86 -0.21 0.00 0.01 0.00 0.00 42.46 38.40 1kne s ILE 29 CO -0.07 -0.02 0.84 0.40 0.00 0.00 0.00 174.94 176.09 1kne h ILE 30 N 5.49 1.00 -2.37 2.92 2.04 -0.88 -3.49 117.51 122.22 1kne h ILE 30 Ca -0.29 -2.76 0.17 0.00 1.00 0.00 0.00 64.86 62.98 1kne h ILE 30 Cb 1.14 2.47 -0.08 0.00 -0.74 0.00 0.00 36.82 39.61 1kne h ILE 30 CO 0.72 0.57 0.47 -0.62 0.00 0.00 0.00 178.15 179.29 1kne s ASP 31 N -6.20 -0.18 0.02 1.72 -1.08 -1.14 -4.98 116.67 104.84 1kne s ASP 31 Ca -0.03 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 1kne s ASP 31 Cb 0.08 0.50 -0.02 0.00 -1.46 0.00 0.00 42.92 42.03 1kne s ASP 31 CO 0.82 -0.93 -0.04 -0.60 0.52 0.00 0.00 175.17 174.95 1kne s ARG 32 N -3.31 0.32 0.21 4.34 3.52 -1.26 -0.67 118.95 122.10 1kne s ARG 32 Ca 0.12 -0.55 -0.19 0.00 -0.13 0.00 0.00 55.73 54.98 1kne s ARG 32 Cb -0.02 -0.00 0.03 0.00 -1.56 0.00 0.00 34.95 33.41 1kne s ARG 32 CO 0.03 -0.02 0.58 -0.98 -0.81 0.00 0.00 175.30 174.10 1kne s ARG 33 N -1.25 1.45 -0.24 5.12 1.70 -0.46 -5.00 118.95 120.28 1kne s ARG 33 Ca -0.12 -0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 1kne s ARG 33 Cb -0.08 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1kne s ARG 33 CO -0.01 -0.63 -0.03 0.08 -1.08 0.00 0.00 175.30 173.63 1kne s VAL 34 N -3.86 3.30 -0.08 4.99 1.01 -1.26 0.06 120.40 124.56 1kne s VAL 34 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1kne s VAL 34 Cb -0.02 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1kne s VAL 34 CO -0.03 0.32 -0.11 -0.60 0.00 0.00 0.00 175.10 174.68 1kne s ARG 35 N 1.44 1.66 -1.32 2.72 3.52 0.43 -4.79 118.95 122.61 1kne s ARG 35 Ca 0.04 -0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1kne s ARG 35 Cb -0.15 -1.48 0.01 0.00 -1.56 0.00 0.00 34.95 31.77 1kne s ARG 35 CO -0.03 -0.08 0.82 1.63 -0.81 0.00 0.00 175.30 176.83 1kne n LYS 36 N 4.21 -5.47 -0.78 5.12 5.02 -1.26 -1.04 118.16 123.95 1kne n LYS 36 Ca -0.19 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1kne n LYS 36 Cb 0.51 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1kne n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kne n GLY 37 N -1.54 0.00 3.47 0.72 0.00 -1.26 -4.92 105.19 101.65 1kne n GLY 37 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1kne n GLY 37 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kne s MET 38 N -1.57 3.61 0.11 1.61 0.00 -0.20 -5.10 119.30 117.76 1kne s MET 38 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 55.69 54.84 1kne s MET 38 Cb 0.00 -2.89 -0.06 0.00 0.00 0.00 0.00 34.83 31.88 1kne s MET 38 CO 0.00 0.20 1.14 0.08 0.00 0.00 0.00 175.02 176.43 1kne s VAL 39 N 0.47 4.03 0.04 10.11 1.01 -1.26 -0.43 120.40 134.37 1kne s VAL 39 Ca -0.04 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1kne s VAL 39 Cb -0.14 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1kne s VAL 39 CO 0.03 0.19 -0.17 -1.61 0.00 0.00 0.00 175.10 173.54 1kne s GLU 40 N 0.39 1.12 -0.14 2.72 2.02 0.11 -0.64 118.70 124.29 1kne s GLU 40 Ca 0.54 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1kne s GLU 40 Cb -0.29 -1.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 1kne s GLU 40 CO 0.32 0.30 -0.16 0.71 0.02 0.00 0.00 175.26 176.44 1kne s TYR 41 N -0.84 2.75 -0.60 1.61 2.02 0.13 -1.35 117.35 121.07 1kne s TYR 41 Ca 0.04 -0.90 -0.24 0.00 -0.37 0.00 0.00 57.07 55.60 1kne s TYR 41 Cb -0.08 -1.84 0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1kne s TYR 41 CO 0.02 -0.37 1.00 -0.47 -1.57 0.00 0.00 175.55 174.16 1kne s TYR 42 N 0.57 2.70 0.29 2.71 5.04 0.16 -1.02 117.35 127.79 1kne s TYR 42 Ca -0.10 -0.10 0.11 0.00 -2.44 0.00 0.00 57.07 54.54 1kne s TYR 42 Cb -0.16 -4.22 -0.05 0.00 0.35 0.00 0.00 41.96 37.88 1kne s TYR 42 CO 0.04 -1.52 -0.11 -0.48 -1.34 0.00 0.00 175.55 172.14 1kne s LEU 43 N 4.25 2.82 -0.09 6.97 2.34 -0.91 -0.11 118.68 133.94 1kne s LEU 43 Ca 0.30 -0.94 0.00 0.00 0.06 0.00 0.00 54.13 53.56 1kne s LEU 43 Cb -0.13 -1.29 -0.03 0.00 -0.56 0.00 0.00 46.19 44.19 1kne s LEU 43 CO 0.17 -0.03 -0.09 -0.75 -1.06 0.00 0.00 176.35 174.59 1kne s LYS 44 N -3.59 3.01 -0.08 1.48 2.20 -0.79 -2.63 119.74 119.35 1kne s LYS 44 Ca 0.31 -0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 55.16 1kne s LYS 44 Cb -0.04 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1kne s LYS 44 CO 0.17 0.48 0.43 -1.58 -0.36 0.00 0.00 175.35 174.49 1kne s TRP 45 N -0.32 3.59 0.36 4.03 0.52 -1.26 -0.70 118.94 125.16 1kne s TRP 45 Ca 0.04 0.90 -0.28 0.00 0.02 0.00 0.00 56.10 56.77 1kne s TRP 45 Cb -0.13 -2.43 -0.11 0.00 -1.15 0.00 0.00 33.47 29.66 1kne s TRP 45 CO 0.02 0.36 1.41 -1.59 0.02 0.00 0.00 176.95 177.17 1kne s LYS 46 N -0.05 4.19 0.00 4.98 -2.85 -1.09 -2.25 119.74 122.66 1kne s LYS 46 Ca 0.24 2.41 0.00 0.00 -1.00 0.00 0.00 55.97 57.62 1kne s LYS 46 Cb -0.15 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 1kne s LYS 46 CO 0.11 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1kne n GLY 47 N 0.60 1.97 3.56 0.59 0.00 -1.26 -4.89 105.19 105.77 1kne n GLY 47 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1kne n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kne s TYR 48 N -2.81 2.64 0.70 1.61 1.51 -0.95 -5.13 117.35 114.92 1kne s TYR 48 Ca 0.00 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 55.72 1kne s TYR 48 Cb 0.00 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1kne s TYR 48 CO 0.00 0.50 1.09 -2.14 -1.11 0.00 0.00 175.55 173.88 1kne s PRO 49 N -2.73 2.70 0.50 -1.71 0.02 -1.26 -4.75 135.00 127.76 1kne s PRO 49 Ca 0.24 1.19 0.23 0.00 0.02 0.00 0.00 61.00 62.69 1kne s PRO 49 Cb -0.09 -1.95 1.31 0.00 0.02 0.00 0.00 34.50 33.79 1kne s PRO 49 CO 0.15 -1.31 1.95 0.93 -0.33 0.00 0.00 177.00 178.39 1kne h GLU 50 N -0.50 0.12 0.00 5.54 4.39 -2.00 0.12 114.58 122.25 1kne h GLU 50 Ca -0.45 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1kne h GLU 50 Cb 1.23 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1kne h GLU 50 CO 0.54 0.08 0.00 1.79 -1.16 0.00 0.00 179.01 180.26 1kne h THR 51 N 0.13 0.00 -0.01 1.13 1.35 -2.02 0.02 112.91 113.50 1kne h THR 51 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1kne h THR 51 Cb 1.09 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1kne h THR 51 CO -0.04 0.00 -0.17 -0.62 -0.25 0.00 0.00 175.52 174.44 1kne n GLU 52 N -2.50 1.22 -1.68 4.72 -0.58 0.40 -4.95 120.64 117.28 1kne n GLU 52 Ca -0.02 -0.76 -0.43 0.00 -0.42 0.00 0.00 57.16 55.53 1kne n GLU 52 Cb 0.05 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1kne n GLU 52 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1kne n ASN 53 N -0.22 2.56 -3.98 1.62 3.02 -0.01 -4.87 115.26 113.38 1kne n ASN 53 Ca 0.14 1.20 -0.09 0.00 -0.03 0.00 0.00 54.58 55.81 1kne n ASN 53 Cb 0.37 -1.45 -0.10 0.00 -0.61 0.00 0.00 39.78 37.98 1kne n ASN 53 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kne s THR 54 N -1.04 0.14 -0.12 3.41 -4.23 -1.08 -4.98 115.64 107.74 1kne s THR 54 Ca 0.56 -1.13 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 1kne s THR 54 Cb -0.59 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1kne s THR 54 CO 0.61 -0.62 0.90 0.26 -0.54 0.00 0.00 174.62 175.23 1kne s TRP 55 N -2.26 3.49 -0.03 3.99 0.52 -1.26 -2.15 118.94 121.24 1kne s TRP 55 Ca -0.08 1.42 0.05 0.00 0.02 0.00 0.00 56.10 57.50 1kne s TRP 55 Cb -0.04 -3.07 -0.01 0.00 -1.15 0.00 0.00 33.47 29.21 1kne s TRP 55 CO -0.04 -0.18 -0.18 -1.21 0.02 0.00 0.00 176.95 175.36 1kne s GLU 56 N 1.87 1.73 0.52 4.98 0.41 -0.19 -4.92 118.70 123.10 1kne s GLU 56 Ca 0.43 -0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 54.12 1kne s GLU 56 Cb -0.18 -1.56 -0.06 0.00 -1.78 0.00 0.00 34.13 30.56 1kne s GLU 56 CO 0.16 0.32 1.23 -1.25 -0.49 0.00 0.00 175.26 175.23 1kne s PRO 57 N -0.18 3.35 0.44 0.39 0.04 -1.26 0.18 135.00 137.96 1kne s PRO 57 Ca 0.01 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.19 1kne s PRO 57 Cb -0.10 -2.22 1.23 0.00 0.04 0.00 0.00 34.50 33.45 1kne s PRO 57 CO 0.01 -0.92 1.80 1.05 0.04 0.00 0.00 177.00 178.98 1kne h GLU 58 N 1.53 0.27 0.00 4.56 4.11 -1.23 0.83 114.58 124.65 1kne h GLU 58 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.91 1kne h GLU 58 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1kne h GLU 58 CO 0.58 0.18 0.00 -2.95 0.07 0.00 0.00 179.01 176.89 1kne h ASN 59 N 0.28 0.00 0.93 3.06 -1.07 -1.90 -1.69 115.58 115.19 1kne h ASN 59 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.93 1kne h ASN 59 Cb 1.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.88 1kne h ASN 59 CO -0.20 0.00 -0.40 0.59 0.07 0.00 0.00 177.43 177.50 1kne n ASN 60 N -2.58 0.59 -4.86 6.14 4.13 0.28 -4.91 115.26 114.06 1kne n ASN 60 Ca -0.01 0.18 -0.35 0.00 1.68 0.00 0.00 54.58 56.09 1kne n ASN 60 Cb 0.11 -0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 1kne n ASN 60 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1kne s LEU 61 N -3.87 4.33 -0.49 3.41 1.02 -0.64 -4.95 118.68 117.49 1kne s LEU 61 Ca 0.09 0.92 0.08 0.00 0.02 0.00 0.00 54.13 55.24 1kne s LEU 61 Cb 0.15 -3.16 0.30 0.00 0.02 0.00 0.00 46.19 43.50 1kne s LEU 61 CO 0.67 0.12 0.75 -0.67 0.02 0.00 0.00 176.35 177.24 1kne n ASP 62 N 0.78 2.33 -2.85 2.29 4.64 -1.26 -4.93 116.55 117.54 1kne n ASP 62 Ca -0.06 -3.22 -0.12 0.00 -1.38 0.00 0.00 54.79 50.01 1kne n ASP 62 Cb 0.52 -0.62 0.03 0.00 -1.04 0.00 0.00 41.12 40.01 1kne n ASP 62 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kne h GLN 64 N 3.88 0.00 0.19 0.00 5.75 -1.99 -2.28 115.11 120.67 1kne h GLN 64 Ca -0.09 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1kne h GLN 64 Cb 1.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1kne h GLN 64 CO 0.34 0.00 -0.09 -0.44 -2.65 0.00 0.00 178.83 175.99 1kne h ASP 65 N 0.00 -0.22 -0.62 -0.69 5.19 -1.98 0.52 116.42 118.62 1kne h ASP 65 Ca 0.09 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 1kne h ASP 65 Cb 0.38 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 1kne h ASP 65 CO -0.00 -0.11 0.21 -0.07 -3.12 0.00 0.00 179.24 176.16 1kne h LEU 66 N -0.31 0.88 0.59 1.55 3.38 -1.88 0.56 115.31 120.08 1kne h LEU 66 Ca -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1kne h LEU 66 Cb 0.24 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1kne h LEU 66 CO 0.04 0.84 -0.28 0.40 0.09 0.00 0.00 178.44 179.53 1kne h ILE 67 N 0.88 0.37 -0.94 1.22 2.04 -1.29 0.34 117.51 120.13 1kne h ILE 67 Ca 0.20 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1kne h ILE 67 Cb 0.26 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1kne h ILE 67 CO -0.01 0.03 0.60 -0.61 0.00 0.00 0.00 178.15 178.16 1kne h GLN 68 N -0.92 0.81 -0.37 2.37 4.15 0.07 0.12 115.11 121.35 1kne h GLN 68 Ca -0.08 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 1kne h GLN 68 Cb 0.65 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1kne h GLN 68 CO 0.13 0.54 -0.28 0.37 -1.93 0.00 0.00 178.83 177.66 1kne h GLN 69 N 0.83 0.77 -0.30 1.69 5.75 -0.61 -2.95 115.11 120.30 1kne h GLN 69 Ca 0.47 -0.34 -0.13 0.00 -0.15 0.00 0.00 58.65 58.50 1kne h GLN 69 Cb 0.61 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1kne h GLN 69 CO -0.24 0.96 -0.32 -0.92 -2.65 0.00 0.00 178.83 175.66 1kne h TYR 70 N 0.66 0.90 0.00 3.99 5.03 0.14 -2.91 116.97 124.78 1kne h TYR 70 Ca 0.08 -0.28 0.00 0.00 2.58 0.00 0.00 58.73 61.11 1kne h TYR 70 Cb 0.80 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.89 1kne h TYR 70 CO 0.04 1.04 0.00 0.39 -1.32 0.00 0.00 178.16 178.31 1kne n GLU 71 N -4.22 0.05 -0.01 1.82 -0.58 0.25 -2.11 120.64 115.84 1kne n GLU 71 Ca -0.04 0.40 0.10 0.00 -0.42 0.00 0.00 57.16 57.21 1kne n GLU 71 Cb 0.49 -1.61 -0.16 0.00 -0.57 0.00 0.00 31.44 29.60 1kne n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kne n ALA 72 N -1.57 2.74 1.55 0.62 0.00 -1.12 -4.32 120.51 118.40 1kne n ALA 72 Ca 0.02 -0.53 0.08 0.00 0.00 0.00 0.00 53.44 53.01 1kne n ALA 72 Cb 0.11 -0.75 0.48 0.00 0.00 0.00 0.00 19.45 19.29 1kne n ALA 72 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1kne n SER 73 N -2.31 0.00 -0.91 0.00 7.64 -0.90 -5.12 113.62 112.02 1kne n SER 73 Ca -0.05 -1.04 0.12 0.00 1.01 0.00 0.00 58.87 58.91 1kne n SER 73 Cb 0.59 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.93 1kne n SER 73 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92