#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qox n ILE 4 N 0.00 0.00 -2.47 -0.61 -5.35 -1.26 -4.83 119.36 104.83 2qox n ILE 4 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.07 2qox n ILE 4 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2qox n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qox s ARG 5 N 0.00 3.12 0.40 6.28 1.81 -1.26 -4.69 118.95 124.61 2qox s ARG 5 Ca 0.00 -0.15 -0.25 0.00 -1.72 0.00 0.00 55.73 53.61 2qox s ARG 5 Cb 0.00 -4.26 -0.08 0.00 -0.45 0.00 0.00 34.95 30.16 2qox s ARG 5 CO 0.00 -2.24 1.13 -1.21 -0.68 0.00 0.00 175.30 172.30 2qox s GLU 6 N 5.91 4.07 -1.04 3.54 2.02 0.68 -4.65 118.70 129.23 2qox s GLU 6 Ca 0.40 1.74 -0.20 0.00 0.02 0.00 0.00 54.97 56.94 2qox s GLU 6 Cb -0.08 -2.63 0.10 0.00 0.10 0.00 0.00 34.13 31.62 2qox s GLU 6 CO 0.15 -0.28 1.36 0.15 0.02 0.00 0.00 175.26 176.66 2qox s LYS 7 N -2.36 3.70 0.82 1.61 1.02 -1.26 0.37 119.74 123.64 2qox s LYS 7 Ca 0.58 -1.65 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 2qox s LYS 7 Cb -0.28 -5.18 0.08 0.00 -0.52 0.00 0.00 37.83 31.93 2qox s LYS 7 CO 0.35 -2.00 1.09 -1.50 -0.92 0.00 0.00 175.35 172.38 2qox s ILE 8 N 3.62 3.01 -0.07 2.17 -1.16 0.93 -4.88 121.20 124.82 2qox s ILE 8 Ca 0.42 0.33 0.01 0.00 -0.51 0.00 0.00 60.65 60.89 2qox s ILE 8 Cb -0.02 -2.97 0.02 0.00 0.61 0.00 0.00 42.46 40.11 2qox s ILE 8 CO -0.06 -0.43 -0.06 -1.59 -2.81 0.00 0.00 174.94 169.99 2qox s LYS 9 N -5.05 1.12 -0.18 3.50 0.00 -1.26 -1.96 119.74 115.91 2qox s LYS 9 Ca 0.61 -0.16 -0.15 0.00 0.00 0.00 0.00 55.97 56.27 2qox s LYS 9 Cb -0.16 -1.15 -0.04 0.00 0.00 0.00 0.00 37.83 36.48 2qox s LYS 9 CO 0.55 -0.14 0.36 -0.51 0.00 0.00 0.00 175.35 175.61 2qox s LEU 10 N 1.23 4.20 0.04 2.77 1.02 0.21 -4.23 118.68 123.92 2qox s LEU 10 Ca -0.05 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2qox s LEU 10 Cb -0.14 -2.47 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 2qox s LEU 10 CO -0.02 0.01 0.14 -0.69 0.02 0.00 0.00 176.35 175.80 2qox s VAL 11 N 0.89 5.00 -0.37 -1.59 1.01 -0.37 0.27 120.40 125.24 2qox s VAL 11 Ca 0.18 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2qox s VAL 11 Cb -0.14 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2qox s VAL 11 CO 0.07 0.21 1.27 -0.55 0.00 0.00 0.00 175.10 176.10 2qox s SER 12 N -2.21 6.60 0.59 3.32 0.15 -1.22 -1.22 113.70 119.72 2qox s SER 12 Ca 0.29 0.91 0.29 0.00 0.70 0.00 0.00 55.95 58.15 2qox s SER 12 Cb -0.12 -2.54 1.38 0.00 -1.71 0.00 0.00 66.02 63.03 2qox s SER 12 CO 0.22 -1.19 1.77 0.77 1.20 0.00 0.00 173.24 176.01 2qox h SER 13 N 9.51 0.00 -3.38 5.45 4.64 -1.38 -3.41 113.55 124.98 2qox h SER 13 Ca -0.25 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.64 2qox h SER 13 Cb 1.09 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 63.37 2qox h SER 13 CO 1.07 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 177.07 2qox s ALA 14 N -4.61 -0.10 0.30 5.18 0.00 -1.26 -4.93 121.76 116.33 2qox s ALA 14 Ca -0.04 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.56 2qox s ALA 14 Cb 0.16 -3.11 0.46 0.00 0.00 0.00 0.00 23.12 20.63 2qox s ALA 14 CO 0.56 -3.74 1.70 0.78 0.00 0.00 0.00 175.76 175.05 2qox h GLY 15 N -2.61 0.22 -2.94 0.00 0.00 -2.01 -3.46 103.07 92.27 2qox h GLY 15 Ca -0.55 -0.21 -0.57 0.00 0.00 0.00 0.00 47.33 46.00 2qox h GLY 15 CO 0.47 0.19 -0.67 -0.37 0.00 0.00 0.00 176.54 176.16 2qox n THR 16 N -4.01 1.34 0.79 4.70 5.66 -1.26 -4.91 114.28 116.59 2qox n THR 16 Ca -0.02 -0.44 0.12 0.00 -3.05 0.00 0.00 64.05 60.67 2qox n THR 16 Cb 0.49 -0.53 0.26 0.00 -1.55 0.00 0.00 70.33 69.00 2qox n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qox n GLY 17 N 1.98 -1.38 3.66 1.09 0.00 -1.26 -4.74 105.19 104.55 2qox n GLY 17 Ca 0.09 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2qox n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qox n HIS 18 N -1.81 1.04 -3.34 1.61 -0.00 -1.26 -4.89 115.22 106.56 2qox n HIS 18 Ca 0.05 0.40 -0.00 0.00 -0.00 0.00 0.00 57.72 58.16 2qox n HIS 18 Cb 0.39 -2.11 -0.00 0.00 -0.00 0.00 0.00 29.99 28.27 2qox n HIS 18 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 2qox n PHE 19 N -2.86 -0.69 -4.11 1.57 -1.74 -1.26 -3.42 117.46 104.95 2qox n PHE 19 Ca 0.13 -0.04 -0.15 0.00 -0.56 0.00 0.00 57.45 56.84 2qox n PHE 19 Cb 0.50 0.01 -0.12 0.00 1.52 0.00 0.00 39.48 41.39 2qox n PHE 19 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 2qox s TYR 20 N -6.60 0.82 -0.03 2.97 2.02 0.14 -4.98 117.35 111.69 2qox s TYR 20 Ca 0.00 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 2qox s TYR 20 Cb -0.00 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2qox s TYR 20 CO 0.00 -0.04 -0.23 -0.08 -1.57 0.00 0.00 175.55 173.63 2qox s THR 21 N -1.25 1.87 0.19 -0.71 -1.32 -1.26 0.64 115.64 113.79 2qox s THR 21 Ca -0.07 -1.00 -0.24 0.00 -1.21 0.00 0.00 61.69 59.18 2qox s THR 21 Cb -0.09 -1.56 0.05 0.00 -1.51 0.00 0.00 72.50 69.39 2qox s THR 21 CO 0.01 0.53 0.82 0.28 -2.21 0.00 0.00 174.62 174.05 2qox s THR 22 N -0.43 0.00 0.42 5.08 -1.32 -0.83 -4.97 115.64 113.60 2qox s THR 22 Ca 0.06 -0.65 -0.07 0.00 -1.21 0.00 0.00 61.69 59.81 2qox s THR 22 Cb -0.10 -1.79 0.10 0.00 -1.51 0.00 0.00 72.50 69.20 2qox s THR 22 CO 0.00 0.00 0.54 0.35 -2.21 0.00 0.00 174.62 173.30 2qox n THR 23 N -0.43 0.00 -3.61 5.08 -2.24 -1.26 -0.05 114.28 111.76 2qox n THR 23 Ca -0.07 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.31 2qox n THR 23 Cb 0.61 -1.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 2qox n THR 23 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qox s LYS 24 N -4.18 0.18 -0.52 -0.78 2.20 0.16 -4.21 119.74 112.58 2qox s LYS 24 Ca 0.31 -0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.92 2qox s LYS 24 Cb -0.01 0.08 0.32 0.00 -1.51 0.00 0.00 37.83 36.70 2qox s LYS 24 CO 0.22 -0.08 0.81 -1.71 -0.36 0.00 0.00 175.35 174.23 2qox n ASN 25 N -0.13 2.99 -0.44 1.43 5.15 -1.26 -0.23 115.26 122.77 2qox n ASN 25 Ca 0.01 -3.37 0.39 0.00 -0.60 0.00 0.00 54.58 51.01 2qox n ASN 25 Cb 0.58 -0.60 0.74 0.00 -0.53 0.00 0.00 39.78 39.96 2qox n ASN 25 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2qox h LYS 26 N 3.32 0.05 -0.85 1.20 1.63 -1.76 0.51 116.57 120.68 2qox h LYS 26 Ca 0.13 -0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.09 2qox h LYS 26 Cb 0.69 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.24 2qox h LYS 26 CO 0.71 0.03 0.56 0.00 -3.45 0.00 0.00 179.45 177.29 2qox h ARG 27 N 0.05 0.49 0.00 1.90 2.47 -1.90 -2.97 114.38 114.43 2qox h ARG 27 Ca 0.70 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.39 2qox h ARG 27 Cb 2.63 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.84 2qox h ARG 27 CO -0.09 0.33 0.00 0.25 0.56 0.00 0.00 179.97 181.02 2qox n THR 28 N -4.52 0.53 -3.00 2.04 -2.24 0.16 -4.89 114.28 102.35 2qox n THR 28 Ca 0.17 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 2qox n THR 28 Cb 0.56 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 2qox n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qox n LYS 29 N -0.27 0.74 0.31 -0.78 4.76 0.23 -4.98 118.16 118.17 2qox n LYS 29 Ca 0.00 -2.59 0.17 0.00 -2.87 0.00 0.00 58.31 53.02 2qox n LYS 29 Cb 0.31 -1.32 1.00 0.00 -1.84 0.00 0.00 35.03 33.18 2qox n LYS 29 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2qox h PRO 30 N 3.99 0.00 -6.11 1.97 0.11 -1.80 -3.39 132.00 126.77 2qox h PRO 30 Ca -0.02 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.45 2qox h PRO 30 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2qox h PRO 30 CO 0.40 0.01 1.29 -0.85 -0.21 0.00 0.00 178.00 178.64 2qox n GLU 31 N -3.56 1.70 -1.54 1.05 0.00 -1.26 -4.78 120.64 112.25 2qox n GLU 31 Ca -0.03 0.55 -0.40 0.00 0.00 0.00 0.00 57.16 57.28 2qox n GLU 31 Cb 0.10 -2.68 -0.05 0.00 0.00 0.00 0.00 31.44 28.81 2qox n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qox n LYS 32 N 7.59 1.03 -1.68 3.44 4.01 -1.24 -4.72 118.16 126.59 2qox n LYS 32 Ca 0.31 0.11 -0.45 0.00 -0.51 0.00 0.00 58.31 57.76 2qox n LYS 32 Cb 0.30 -3.02 -0.04 0.00 -0.51 0.00 0.00 35.03 31.76 2qox n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2qox n LEU 33 N 13.82 3.22 -3.78 -0.35 7.94 0.36 -4.77 117.00 133.43 2qox n LEU 33 Ca 0.41 1.08 -0.13 0.00 -1.11 0.00 0.00 56.01 56.26 2qox n LEU 33 Cb 0.42 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 2qox n LEU 33 CO 0.74 -0.24 -0.17 -1.61 -1.11 0.00 0.00 177.39 175.00 2qox s GLU 34 N 0.86 0.18 0.00 1.96 2.02 -1.26 -3.46 118.70 119.00 2qox s GLU 34 Ca 0.78 0.34 0.00 0.00 0.02 0.00 0.00 54.97 56.11 2qox s GLU 34 Cb -0.65 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 33.55 2qox s GLU 34 CO 0.38 -0.09 0.00 1.47 0.02 0.00 0.00 175.26 177.03 2qox n LEU 35 N 3.59 0.00 -1.74 1.80 -0.00 -0.69 -5.01 117.00 114.96 2qox n LEU 35 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2qox n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qox n LEU 35 CO 0.18 0.00 -0.35 1.17 -0.00 0.00 0.00 177.39 178.39 2qox n LYS 36 N 0.00 -4.05 0.00 1.47 4.81 -1.23 -4.80 118.16 114.36 2qox n LYS 36 Ca 0.00 3.01 0.00 0.00 -0.87 0.00 0.00 58.31 60.45 2qox n LYS 36 Cb 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 35.03 31.80 2qox n LYS 36 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qox n LYS 37 N 1.39 0.00 -3.77 1.64 5.02 -1.16 -4.78 118.16 116.49 2qox n LYS 37 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2qox n LYS 37 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 2qox n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qox s PHE 38 N 2.96 -0.21 -0.59 2.13 5.36 -1.26 -4.05 117.98 122.31 2qox s PHE 38 Ca 0.00 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.50 2qox s PHE 38 Cb 0.00 0.01 0.15 0.00 -0.34 0.00 0.00 43.02 42.85 2qox s PHE 38 CO 0.00 -0.15 0.39 0.34 -1.46 0.00 0.00 175.22 174.34 2qox s ASP 39 N 0.70 5.06 0.36 6.13 -1.08 -0.85 -4.97 116.67 122.01 2qox s ASP 39 Ca -0.05 -2.84 0.16 0.00 -0.52 0.00 0.00 52.55 49.31 2qox s ASP 39 Cb -0.07 -1.81 1.11 0.00 -1.46 0.00 0.00 42.92 40.69 2qox s ASP 39 CO -0.04 -0.35 1.68 -0.65 0.52 0.00 0.00 175.17 176.33 2qox h PRO 40 N 6.98 0.33 -0.67 4.34 0.11 -1.95 0.34 132.00 141.48 2qox h PRO 40 Ca -0.03 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.18 2qox h PRO 40 Cb 0.95 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 2qox h PRO 40 CO 0.70 0.22 0.45 0.28 -0.21 0.00 0.00 178.00 179.44 2qox h VAL 41 N 0.34 0.85 -0.00 3.15 2.07 -1.96 -1.46 116.25 119.23 2qox h VAL 41 Ca 0.72 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 68.10 2qox h VAL 41 Cb 1.70 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2qox h VAL 41 CO -0.53 0.08 -0.45 0.52 0.02 0.00 0.00 177.57 177.20 2qox n VAL 42 N -4.47 0.00 -3.84 2.57 0.31 0.56 -5.00 118.33 108.46 2qox n VAL 42 Ca 0.12 -0.27 -0.27 0.00 -0.01 0.00 0.00 64.34 63.90 2qox n VAL 42 Cb 0.44 1.07 0.03 0.00 -0.91 0.00 0.00 33.84 34.48 2qox n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qox n ARG 43 N -0.78 -5.49 -3.88 5.55 1.74 0.87 -4.98 116.66 109.69 2qox n ARG 43 Ca 0.04 0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 57.63 2qox n ARG 43 Cb 0.24 -5.42 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 2qox n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qox s GLN 44 N -6.43 0.43 -1.27 5.56 -1.52 -1.22 -5.01 119.66 110.19 2qox s GLN 44 Ca 0.48 -0.37 -0.10 0.00 -1.95 0.00 0.00 55.36 53.41 2qox s GLN 44 Cb -0.24 0.18 0.17 0.00 -0.22 0.00 0.00 33.01 32.89 2qox s GLN 44 CO 0.82 -0.10 1.82 0.72 -0.25 0.00 0.00 175.29 178.30 2qox n HIS 45 N 1.63 3.26 -2.44 0.91 8.25 -1.26 -2.02 115.22 123.55 2qox n HIS 45 Ca -0.22 -2.88 -0.26 0.00 -0.26 0.00 0.00 57.72 54.10 2qox n HIS 45 Cb 0.56 -2.00 0.03 0.00 1.12 0.00 0.00 29.99 29.70 2qox n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qox s VAL 46 N 0.63 3.60 0.52 1.59 0.11 -1.26 -4.83 120.40 120.75 2qox s VAL 46 Ca 0.40 -0.07 -0.21 0.00 -2.93 0.00 0.00 61.98 59.17 2qox s VAL 46 Cb 0.08 -3.42 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 2qox s VAL 46 CO 0.00 -0.42 1.21 -0.63 -3.33 0.00 0.00 175.10 171.93 2qox s ILE 47 N -2.96 2.79 -0.14 7.04 1.09 -1.26 -2.99 121.20 124.76 2qox s ILE 47 Ca 0.54 0.55 0.01 0.00 -1.10 0.00 0.00 60.65 60.65 2qox s ILE 47 Cb -0.10 -3.26 0.02 0.00 -1.06 0.00 0.00 42.46 38.05 2qox s ILE 47 CO 0.44 -0.04 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.78 2qox s TYR 48 N -1.53 2.24 0.00 3.97 2.02 -1.26 -0.96 117.35 121.83 2qox s TYR 48 Ca 0.69 -1.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2qox s TYR 48 Cb -0.31 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2qox s TYR 48 CO 0.36 -0.64 0.00 1.17 -1.57 0.00 0.00 175.55 174.87 2qox n LYS 49 N 4.60 3.90 -2.50 -0.62 4.81 -0.36 -1.71 118.16 126.28 2qox n LYS 49 Ca -0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.23 2qox n LYS 49 Cb 0.50 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.53 2qox n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2qox n GLU 50 N 0.00 -4.68 0.00 1.64 4.07 -1.22 -1.24 120.64 119.21 2qox n GLU 50 Ca 0.00 3.46 0.00 0.00 -0.06 0.00 0.00 57.16 60.56 2qox n GLU 50 Cb 0.00 -4.67 0.00 0.00 -0.06 0.00 0.00 31.44 26.71 2qox n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qox n ALA 51 N 1.83 0.00 0.00 4.31 0.00 -1.25 -3.54 120.51 121.85 2qox n ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qox n ALA 51 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2qox n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13