#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n GLN 39 N 0.00 0.00 -0.93 0.38 6.02 -1.26 -4.97 117.38 116.62 3hkz n GLN 39 Ca 0.00 0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 57.07 3hkz n GLN 39 Cb 0.00 -3.14 -0.15 0.00 1.02 0.00 0.00 30.24 27.98 3hkz n GLN 39 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hkz n ASP 40 N 1.67 4.95 0.38 1.08 8.00 -1.26 -4.64 116.55 126.74 3hkz n ASP 40 Ca 0.00 -2.40 -0.15 0.00 0.71 0.00 0.00 54.79 52.95 3hkz n ASP 40 Cb 0.21 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 39.94 3hkz n ASP 40 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hkz h ILE 41 N 2.15 0.00 0.00 0.53 2.04 -2.00 -3.15 117.51 117.09 3hkz h ILE 41 Ca 0.21 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3hkz h ILE 41 Cb 1.32 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3hkz h ILE 41 CO 0.34 0.00 -1.12 -0.62 0.00 0.00 0.00 178.15 176.75 3hkz n GLU 42 N -5.14 0.61 -0.10 2.37 4.71 -1.26 -3.97 120.64 117.85 3hkz n GLU 42 Ca -0.12 0.11 -0.11 0.00 -0.01 0.00 0.00 57.16 57.03 3hkz n GLU 42 Cb 0.39 -1.81 -0.03 0.00 -1.01 0.00 0.00 31.44 28.98 3hkz n GLU 42 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hkz h LEU 43 N 0.00 0.55 -2.17 -4.62 4.07 -1.90 -3.25 115.31 108.00 3hkz h LEU 43 Ca -0.02 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3hkz h LEU 43 Cb 1.07 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3hkz h LEU 43 CO 0.01 0.75 0.00 0.18 -1.08 0.00 0.00 178.44 178.30 3hkz n LEU 44 N -4.53 3.22 -0.04 1.67 4.32 -1.19 -3.23 117.00 117.22 3hkz n LEU 44 Ca -0.03 -1.33 -0.12 0.00 -0.02 0.00 0.00 56.01 54.51 3hkz n LEU 44 Cb 0.28 -0.15 -0.07 0.00 -1.62 0.00 0.00 43.42 41.86 3hkz n LEU 44 CO 0.39 0.65 0.69 0.24 -1.22 0.00 0.00 177.39 178.14 3hkz h MET 45 N 4.35 0.24 0.19 3.23 2.86 -1.69 -3.41 114.93 120.69 3hkz h MET 45 Ca 0.00 -0.10 -0.29 0.00 -2.06 0.00 0.00 59.70 57.26 3hkz h MET 45 Cb 0.95 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.62 3hkz h MET 45 CO 0.00 0.56 -1.34 0.00 1.06 0.00 0.00 176.91 177.18 3hkz h ARG 46 N -0.09 0.39 -0.39 1.72 3.08 -1.61 -3.34 114.38 114.14 3hkz h ARG 46 Ca 0.03 -0.67 0.07 0.00 0.07 0.00 0.00 59.98 59.48 3hkz h ARG 46 Cb 0.47 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.68 3hkz h ARG 46 CO 0.01 1.32 -0.37 -0.91 -1.07 0.00 0.00 179.97 178.96 3hkz h ASN 47 N -0.09 -1.22 1.27 7.04 -0.26 -1.78 0.79 115.58 121.33 3hkz h ASN 47 Ca -0.25 0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.61 3hkz h ASN 47 Cb 1.94 0.55 -0.01 0.00 -1.06 0.00 0.00 38.32 39.74 3hkz h ASN 47 CO 0.18 -0.34 -0.39 0.00 -1.06 0.00 0.00 177.43 175.82 3hkz h THR 48 N -0.29 0.76 0.00 2.81 1.03 -1.85 -3.06 112.91 112.30 3hkz h THR 48 Ca 0.16 -1.79 -0.00 0.00 -0.01 0.00 0.00 66.41 64.77 3hkz h THR 48 Cb 0.56 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 3hkz h THR 48 CO -0.55 0.39 -0.00 -0.08 -0.01 0.00 0.00 175.52 175.27 3hkz h GLU 49 N 0.00 -0.00 0.00 0.00 4.81 -1.23 -2.31 114.58 115.84 3hkz h GLU 49 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hkz h GLU 49 Cb 1.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3hkz h GLU 49 CO 0.05 0.56 -0.03 0.82 -0.73 0.00 0.00 179.01 179.68 3hkz h ILE 50 N -0.57 0.09 0.00 2.32 1.08 -1.05 -1.64 117.51 117.74 3hkz h ILE 50 Ca -0.00 -0.52 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3hkz h ILE 50 Cb 0.56 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 3hkz h ILE 50 CO 0.00 0.03 -0.01 -0.50 -0.69 0.00 0.00 178.15 176.97 3hkz h TRP 51 N 0.00 0.00 0.00 1.37 4.06 -1.37 -2.38 115.95 117.63 3hkz h TRP 51 Ca -0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 3hkz h TRP 51 Cb 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.60 3hkz h TRP 51 CO 0.00 0.01 -0.88 0.22 -3.56 0.00 0.00 178.44 174.23 3hkz h ASP 52 N 0.00 0.00 0.26 -3.49 1.82 -0.75 -3.22 116.42 111.04 3hkz h ASP 52 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 3hkz h ASP 52 Cb 0.49 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 3hkz h ASP 52 CO 0.00 0.88 -0.12 0.78 -1.61 0.00 0.00 179.24 179.17 3hkz h ASN 53 N 0.00 0.00 0.00 2.28 2.35 -1.44 0.47 115.58 119.24 3hkz h ASN 53 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3hkz h ASN 53 Cb 1.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.97 3hkz h ASN 53 CO 0.11 0.12 0.00 0.18 -1.65 0.00 0.00 177.43 176.20 3hkz n LEU 54 N -3.86 0.49 0.00 1.61 4.77 -1.19 -4.78 117.00 114.04 3hkz n LEU 54 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3hkz n LEU 54 Cb 0.22 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3hkz n LEU 54 CO 0.31 0.12 0.00 0.18 -1.33 0.00 0.00 177.39 176.68 3hkz n LEU 55 N -0.23 0.00 0.00 2.23 4.77 0.16 -5.11 117.00 118.82 3hkz n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hkz n LEU 55 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3hkz n LEU 55 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 3hkz n ASN 56 N 0.00 1.38 -2.93 -1.43 0.23 -1.22 -5.01 115.26 106.28 3hkz n ASN 56 Ca 0.00 -0.38 -0.13 0.00 -0.53 0.00 0.00 54.58 53.54 3hkz n ASN 56 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 3hkz n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkz n GLY 57 N 3.45 2.17 2.66 4.83 0.00 -1.26 -4.71 105.19 112.33 3hkz n GLY 57 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 3hkz n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 58 N -1.42 0.74 0.00 1.61 -0.14 -1.26 -4.79 119.74 114.48 3hkz s LYS 58 Ca 0.31 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 3hkz s LYS 58 Cb 0.35 -0.83 0.00 0.00 -1.68 0.00 0.00 37.83 35.67 3hkz s LYS 58 CO -0.06 -1.25 0.00 -0.89 -0.76 0.00 0.00 175.35 172.39 3hkz n ILE 59 N 3.77 0.00 0.92 2.17 -0.00 -1.26 -4.75 119.36 120.21 3hkz n ILE 59 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 63.03 3hkz n ILE 59 Cb 0.46 0.00 0.30 0.00 -0.00 0.00 0.00 39.64 40.40 3hkz n ILE 59 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3hkz n THR 60 N 0.00 0.07 0.55 1.39 -2.24 -1.26 -3.18 114.28 109.61 3hkz n THR 60 Ca 0.00 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3hkz n THR 60 Cb 0.00 0.05 0.31 0.00 -2.10 0.00 0.00 70.33 68.60 3hkz n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hkz n LEU 61 N -1.62 0.00 0.00 3.22 4.77 -1.26 -0.10 117.00 122.02 3hkz n LEU 61 Ca 0.05 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 3hkz n LEU 61 Cb 0.36 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3hkz n LEU 61 CO 0.34 -0.21 0.13 -0.62 -1.33 0.00 0.00 177.39 175.70 3hkz n GLU 62 N -1.38 0.07 -0.02 3.23 1.02 -1.19 -4.26 120.64 118.11 3hkz n GLU 62 Ca 0.05 -0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3hkz n GLU 62 Cb 0.13 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.02 3hkz n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hkz n GLU 63 N -1.60 0.08 0.08 3.49 1.02 0.86 -3.44 120.64 121.12 3hkz n GLU 63 Ca 0.04 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3hkz n GLU 63 Cb 0.36 -0.69 0.24 0.00 -0.02 0.00 0.00 31.44 31.33 3hkz n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkz n ALA 64 N -3.10 2.71 0.00 0.62 0.00 0.30 -0.39 120.51 120.67 3hkz n ALA 64 Ca -0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 3hkz n ALA 64 Cb 0.55 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 3hkz n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hkz h LYS 65 N 0.00 0.01 -0.87 0.00 1.57 -1.74 -2.26 116.57 113.28 3hkz h LYS 65 Ca 0.00 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3hkz h LYS 65 Cb 0.75 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 3hkz h LYS 65 CO 0.00 0.31 0.52 -0.22 -0.57 0.00 0.00 179.45 179.49 3hkz h LYS 66 N -0.28 0.85 -0.39 3.15 3.64 -1.52 0.56 116.57 122.57 3hkz h LYS 66 Ca 0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3hkz h LYS 66 Cb 0.30 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3hkz h LYS 66 CO 0.00 0.56 -0.10 1.25 -2.27 0.00 0.00 179.45 178.89 3hkz h LEU 67 N 0.88 0.67 -0.43 5.20 5.85 -0.74 0.15 115.31 126.89 3hkz h LEU 67 Ca 0.42 -0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 3hkz h LEU 67 Cb 0.35 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hkz h LEU 67 CO -0.24 0.81 -0.42 0.15 -0.34 0.00 0.00 178.44 178.40 3hkz h PHE 68 N 0.63 1.03 0.00 1.25 3.57 -1.05 -2.30 116.94 120.07 3hkz h PHE 68 Ca 0.11 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.29 3hkz h PHE 68 Cb 0.55 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3hkz h PHE 68 CO 0.02 1.12 0.00 0.93 -2.23 0.00 0.00 178.31 178.16 3hkz h GLU 69 N 0.69 0.00 0.08 1.11 3.07 -0.33 -2.85 114.58 116.35 3hkz h GLU 69 Ca 0.05 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.71 3hkz h GLU 69 Cb 1.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3hkz h GLU 69 CO 0.10 0.00 -0.99 -0.44 -1.40 0.00 0.00 179.01 176.27 3hkz h ASP 70 N 0.00 0.26 0.00 1.42 3.45 -0.56 -3.35 116.42 117.63 3hkz h ASP 70 Ca 0.00 -0.84 0.00 0.00 0.43 0.00 0.00 57.03 56.62 3hkz h ASP 70 Cb 0.22 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3hkz h ASP 70 CO 0.00 1.43 0.04 0.59 -1.57 0.00 0.00 179.24 179.73 3hkz n ASN 71 N -4.18 0.00 0.01 6.45 4.13 -0.88 -1.16 115.26 119.62 3hkz n ASN 71 Ca -0.21 0.41 0.11 0.00 1.68 0.00 0.00 54.58 56.56 3hkz n ASN 71 Cb 0.77 -0.41 -0.11 0.00 -1.54 0.00 0.00 39.78 38.49 3hkz n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hkz n TYR 72 N -1.40 0.13 -0.02 3.10 9.36 -1.21 -4.08 117.16 123.03 3hkz n TYR 72 Ca 0.00 0.04 0.06 0.00 3.32 0.00 0.00 57.90 61.32 3hkz n TYR 72 Cb 0.04 -0.41 0.26 0.00 -0.63 0.00 0.00 39.34 38.59 3hkz n TYR 72 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hkz n LYS 73 N -2.06 3.08 -0.09 2.98 4.76 -0.31 -4.54 118.16 121.98 3hkz n LYS 73 Ca -0.01 -2.02 -0.16 0.00 -2.87 0.00 0.00 58.31 53.25 3hkz n LYS 73 Cb 0.49 -1.78 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 3hkz n LYS 73 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hkz n GLU 74 N 0.64 0.42 0.28 1.97 1.02 -1.26 -4.62 120.64 119.10 3hkz n GLU 74 Ca 0.18 0.14 0.15 0.00 -0.02 0.00 0.00 57.16 57.61 3hkz n GLU 74 Cb 0.71 -1.27 0.79 0.00 -0.02 0.00 0.00 31.44 31.66 3hkz n GLU 74 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3hkz h TYR 75 N -0.32 0.00 0.15 -0.32 0.05 -1.81 -3.16 116.97 111.56 3hkz h TYR 75 Ca -0.43 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 3hkz h TYR 75 Cb 1.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.26 3hkz h TYR 75 CO -0.02 0.00 -0.07 0.93 -1.05 0.00 0.00 178.16 177.95 3hkz h GLU 76 N 0.00 -0.19 0.00 4.88 4.39 -1.92 -3.50 114.58 118.24 3hkz h GLU 76 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3hkz h GLU 76 Cb 0.40 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3hkz h GLU 76 CO 0.00 0.24 0.00 1.17 -1.16 0.00 0.00 179.01 179.26 3hkz n LYS 77 N -4.95 0.00 -3.92 2.33 0.00 -1.20 -5.16 118.16 105.26 3hkz n LYS 77 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 57.99 3hkz n LYS 77 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.24 3hkz n LYS 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hkz s ARG 78 N -5.37 2.34 0.00 1.64 0.52 -1.26 -5.13 118.95 111.69 3hkz s ARG 78 Ca 0.00 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.47 3hkz s ARG 78 Cb 0.00 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.35 3hkz s ARG 78 CO 0.00 -0.15 0.00 -0.25 0.02 0.00 0.00 175.30 174.92 3hkz n ASP 79 N -1.35 0.62 -4.91 0.23 8.00 -1.26 -5.19 116.55 112.69 3hkz n ASP 79 Ca 0.01 -0.24 -0.26 0.00 0.71 0.00 0.00 54.79 55.01 3hkz n ASP 79 Cb 0.64 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3hkz n ASP 79 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hkz s SER 80 N 0.53 4.66 -0.29 -2.24 0.15 -1.26 -5.05 113.70 110.21 3hkz s SER 80 Ca 0.00 -1.21 -0.32 0.00 0.70 0.00 0.00 55.95 55.12 3hkz s SER 80 Cb 0.00 0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 64.61 3hkz s SER 80 CO 0.00 -1.11 2.20 -1.14 1.20 0.00 0.00 173.24 174.39 3hkz n ARG 81 N -1.79 1.47 0.00 5.44 0.63 -1.26 -5.37 116.66 115.78 3hkz n ARG 81 Ca -0.00 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3hkz n ARG 81 Cb 0.64 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.75 3hkz n ARG 81 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99