#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n ILE 4 N 0.00 0.00 -3.63 -0.61 -5.35 -1.26 -4.85 119.36 103.66 2qao n ILE 4 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.08 2qao n ILE 4 Cb 0.00 -0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 37.50 2qao n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qao s ARG 5 N -0.60 2.44 0.51 6.28 1.81 -1.26 -4.44 118.95 123.70 2qao s ARG 5 Ca 0.00 -1.63 -0.19 0.00 -1.72 0.00 0.00 55.73 52.19 2qao s ARG 5 Cb 0.00 -3.77 -0.07 0.00 -0.45 0.00 0.00 34.95 30.65 2qao s ARG 5 CO 0.00 -1.05 1.05 -1.21 -0.68 0.00 0.00 175.30 173.41 2qao s GLU 6 N 1.34 3.66 -0.50 3.54 8.01 -0.86 -4.78 118.70 129.11 2qao s GLU 6 Ca 0.05 1.34 -0.28 0.00 0.01 0.00 0.00 54.97 56.09 2qao s GLU 6 Cb -0.24 -2.07 0.03 0.00 -4.31 0.00 0.00 34.13 27.54 2qao s GLU 6 CO -0.00 -0.55 1.08 0.15 0.01 0.00 0.00 175.26 175.95 2qao s LYS 7 N -3.44 3.60 0.24 1.61 1.02 -1.26 -1.62 119.74 119.89 2qao s LYS 7 Ca 0.67 0.33 -0.11 0.00 0.02 0.00 0.00 55.97 56.88 2qao s LYS 7 Cb -0.17 -3.95 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 2qao s LYS 7 CO 0.24 -1.42 0.58 0.42 -0.92 0.00 0.00 175.35 174.25 2qao s ILE 8 N 4.37 4.89 -0.13 2.17 -1.09 0.35 -4.92 121.20 126.84 2qao s ILE 8 Ca 0.43 0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2qao s ILE 8 Cb -0.08 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2qao s ILE 8 CO 0.28 -0.07 -0.10 -1.59 -1.23 0.00 0.00 174.94 172.23 2qao s LYS 9 N -2.80 1.81 0.03 2.79 0.00 -1.26 -0.13 119.74 120.18 2qao s LYS 9 Ca 0.48 -0.38 -0.21 0.00 0.00 0.00 0.00 55.97 55.87 2qao s LYS 9 Cb -0.11 -1.79 -0.06 0.00 0.00 0.00 0.00 37.83 35.86 2qao s LYS 9 CO 0.20 -0.26 0.61 -0.51 0.00 0.00 0.00 175.35 175.40 2qao s LEU 10 N 1.62 4.46 0.12 2.77 1.02 -1.01 -4.45 118.68 123.22 2qao s LEU 10 Ca 0.05 1.25 0.09 0.00 0.02 0.00 0.00 54.13 55.53 2qao s LEU 10 Cb -0.13 -2.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.08 2qao s LEU 10 CO -0.09 0.15 -0.17 -0.69 0.02 0.00 0.00 176.35 175.57 2qao s VAL 11 N -0.51 2.87 0.29 -1.59 1.01 0.14 -0.51 120.40 122.10 2qao s VAL 11 Ca 0.31 -1.52 -0.28 0.00 0.00 0.00 0.00 61.98 60.49 2qao s VAL 11 Cb -0.19 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2qao s VAL 11 CO 0.19 0.08 0.98 -0.55 0.00 0.00 0.00 175.10 175.80 2qao s SER 12 N -2.21 7.40 0.39 3.32 0.15 -1.21 -0.11 113.70 121.43 2qao s SER 12 Ca 0.19 1.99 0.28 0.00 0.70 0.00 0.00 55.95 59.10 2qao s SER 12 Cb -0.10 -2.60 0.96 0.00 -1.71 0.00 0.00 66.02 62.57 2qao s SER 12 CO 0.11 -0.02 1.80 0.77 1.20 0.00 0.00 173.24 177.09 2qao h SER 13 N 3.66 0.00 -4.27 5.45 4.64 -1.48 -3.45 113.55 118.11 2qao h SER 13 Ca -0.46 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.35 2qao h SER 13 Cb 1.20 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.43 2qao h SER 13 CO 0.66 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 176.92 2qao s ALA 14 N -3.38 2.08 -2.00 5.18 0.00 -1.26 -4.88 121.76 117.50 2qao s ALA 14 Ca 0.05 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.29 2qao s ALA 14 Cb 0.09 -3.27 0.31 0.00 0.00 0.00 0.00 23.12 20.25 2qao s ALA 14 CO 0.54 -1.93 0.75 0.41 0.00 0.00 0.00 175.76 175.53 2qao n GLY 15 N -1.11 -0.45 3.91 0.00 0.00 -1.26 -4.77 105.19 101.51 2qao n GLY 15 Ca 0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2qao n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qao s THR 16 N -2.00 4.91 -1.75 2.61 -1.32 -1.26 -5.00 115.64 111.83 2qao s THR 16 Ca 0.08 0.17 0.26 0.00 -1.21 0.00 0.00 61.69 60.99 2qao s THR 16 Cb 0.04 -3.86 0.28 0.00 -1.51 0.00 0.00 72.50 67.44 2qao s THR 16 CO 0.06 -0.84 1.58 0.61 -2.21 0.00 0.00 174.62 173.82 2qao n GLY 17 N -2.24 -0.63 3.60 6.08 0.00 -1.26 -4.74 105.19 106.00 2qao n GLY 17 Ca 0.00 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 2qao n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qao n HIS 18 N -0.67 0.61 -3.78 1.61 -0.00 -1.26 -4.91 115.22 106.83 2qao n HIS 18 Ca 0.12 0.42 -0.06 0.00 -0.00 0.00 0.00 57.72 58.20 2qao n HIS 18 Cb 0.35 -2.10 -0.02 0.00 -0.00 0.00 0.00 29.99 28.21 2qao n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2qao s PHE 19 N -1.60 -0.21 0.37 1.57 -0.71 -1.26 -3.33 117.98 112.81 2qao s PHE 19 Ca 0.75 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.49 2qao s PHE 19 Cb -0.40 0.67 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 2qao s PHE 19 CO 0.48 -1.06 0.13 0.66 -1.34 0.00 0.00 175.22 174.09 2qao n TYR 20 N -0.45 0.06 -3.66 3.49 4.01 0.33 -4.99 117.16 115.95 2qao n TYR 20 Ca -0.06 -1.72 -0.15 0.00 -0.16 0.00 0.00 57.90 55.81 2qao n TYR 20 Cb 0.60 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.28 2qao n TYR 20 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qao s THR 21 N -2.13 0.01 0.00 -0.72 -1.32 -1.26 -2.41 115.64 107.81 2qao s THR 21 Ca 0.10 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 2qao s THR 21 Cb -0.01 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2qao s THR 21 CO 0.06 -0.07 0.00 1.07 -2.21 0.00 0.00 174.62 173.48 2qao n THR 22 N 1.85 0.00 -4.28 5.08 5.66 0.81 -4.95 114.28 118.45 2qao n THR 22 Ca -0.17 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.68 2qao n THR 22 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 2qao n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qao s THR 23 N -2.16 0.53 0.08 1.09 -4.23 -1.26 0.13 115.64 109.83 2qao s THR 23 Ca 0.00 -1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 2qao s THR 23 Cb 0.00 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.44 2qao s THR 23 CO 0.00 -0.16 0.46 -0.75 -0.54 0.00 0.00 174.62 173.63 2qao s LYS 24 N -4.01 1.04 -1.08 3.99 2.20 -0.64 -4.72 119.74 116.52 2qao s LYS 24 Ca 0.33 -0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.47 2qao s LYS 24 Cb 0.07 0.46 0.30 0.00 -1.51 0.00 0.00 37.83 37.16 2qao s LYS 24 CO 0.10 -0.39 1.66 -1.71 -0.36 0.00 0.00 175.35 174.65 2qao n ASN 25 N 0.17 6.79 -0.63 1.43 2.85 -1.26 -2.04 115.26 122.57 2qao n ASN 25 Ca -0.18 -3.50 0.49 0.00 -0.11 0.00 0.00 54.58 51.29 2qao n ASN 25 Cb 0.62 -1.24 0.79 0.00 1.24 0.00 0.00 39.78 41.19 2qao n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qao h LYS 26 N 4.95 0.01 -0.81 1.20 1.63 -1.79 0.42 116.57 122.18 2qao h LYS 26 Ca 0.35 -0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.37 2qao h LYS 26 Cb 0.49 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 2qao h LYS 26 CO 1.30 0.00 0.57 0.00 -3.45 0.00 0.00 179.45 177.87 2qao h ARG 27 N 0.01 0.11 0.00 1.90 3.08 -1.88 -2.97 114.38 114.63 2qao h ARG 27 Ca 0.89 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.93 2qao h ARG 27 Cb 3.45 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 33.48 2qao h ARG 27 CO -0.08 0.07 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 2qao n THR 28 N -4.36 0.00 -2.85 2.04 -2.24 0.13 -4.86 114.28 102.14 2qao n THR 28 Ca 0.17 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2qao n THR 28 Cb 0.80 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 70.16 2qao n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qao n LYS 29 N -0.37 2.46 0.00 -0.78 4.76 -0.24 -4.91 118.16 119.07 2qao n LYS 29 Ca 0.00 -4.21 0.00 0.00 -2.87 0.00 0.00 58.31 51.23 2qao n LYS 29 Cb 0.04 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 2qao n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qao n PRO 30 N -0.15 0.15 -3.41 1.97 -0.02 -1.17 -4.51 135.00 127.86 2qao n PRO 30 Ca 0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2qao n PRO 30 Cb 0.58 -1.02 -0.09 0.00 -0.02 0.00 0.00 33.50 32.94 2qao n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qao s GLU 31 N -1.74 3.15 -0.07 -0.52 1.03 -1.25 -4.94 118.70 114.36 2qao s GLU 31 Ca 0.00 -0.81 -0.38 0.00 0.03 0.00 0.00 54.97 53.81 2qao s GLU 31 Cb 0.00 -3.93 -0.17 0.00 -0.80 0.00 0.00 34.13 29.23 2qao s GLU 31 CO 0.00 -0.72 1.49 1.63 -1.33 0.00 0.00 175.26 176.32 2qao n LYS 32 N 5.34 1.06 -3.26 -4.83 5.02 -1.26 -4.80 118.16 115.43 2qao n LYS 32 Ca -0.10 0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 56.24 2qao n LYS 32 Cb 0.48 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 2qao n LYS 32 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qao s LEU 33 N 1.69 4.24 -0.02 -0.35 2.96 -1.21 -4.79 118.68 121.20 2qao s LEU 33 Ca 0.91 1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 2qao s LEU 33 Cb -1.03 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.05 2qao s LEU 33 CO 0.55 -0.02 0.24 -1.83 -1.32 0.00 0.00 176.35 173.97 2qao s GLU 34 N -2.39 0.56 0.00 1.98 -1.05 -1.26 -3.14 118.70 113.40 2qao s GLU 34 Ca 0.45 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 2qao s GLU 34 Cb -0.13 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2qao s GLU 34 CO 0.20 -0.14 0.00 1.47 0.95 0.00 0.00 175.26 177.73 2qao n LEU 35 N 1.51 0.00 -0.97 1.83 -0.00 -1.08 -5.00 117.00 113.29 2qao n LEU 35 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 2qao n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qao n LEU 35 CO 0.21 0.17 -0.22 0.29 -0.00 0.00 0.00 177.39 177.84 2qao n LYS 36 N 0.00 -2.49 -3.88 1.47 5.02 -1.26 -4.89 118.16 112.13 2qao n LYS 36 Ca 0.00 1.86 -0.14 0.00 -2.02 0.00 0.00 58.31 58.01 2qao n LYS 36 Cb 0.17 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.20 2qao n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qao n LYS 37 N 0.24 0.70 -2.94 1.97 5.02 0.05 -4.84 118.16 118.36 2qao n LYS 37 Ca 0.00 -2.68 -0.40 0.00 -2.02 0.00 0.00 58.31 53.21 2qao n LYS 37 Cb 0.00 2.61 -0.05 0.00 -0.02 0.00 0.00 35.03 37.57 2qao n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qao s PHE 38 N -2.97 3.76 -0.56 2.13 5.36 -1.26 -1.26 117.98 123.18 2qao s PHE 38 Ca 0.27 1.54 -0.03 0.00 -0.96 0.00 0.00 56.93 57.75 2qao s PHE 38 Cb -0.01 -2.86 0.15 0.00 -0.34 0.00 0.00 43.02 39.96 2qao s PHE 38 CO 0.20 0.28 0.38 0.34 -1.46 0.00 0.00 175.22 174.95 2qao s ASP 39 N -0.13 5.31 0.30 6.13 -1.08 -1.16 -4.94 116.67 121.10 2qao s ASP 39 Ca 0.40 -2.56 0.03 0.00 -0.52 0.00 0.00 52.55 49.89 2qao s ASP 39 Cb -0.21 -1.86 0.74 0.00 -1.46 0.00 0.00 42.92 40.13 2qao s ASP 39 CO 0.24 -0.44 1.62 -0.65 0.52 0.00 0.00 175.17 176.46 2qao h PRO 40 N 7.42 0.13 0.23 4.34 0.11 -1.95 0.98 132.00 143.26 2qao h PRO 40 Ca -0.06 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.05 2qao h PRO 40 Cb 0.99 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2qao h PRO 40 CO 0.72 0.08 -0.30 0.28 -0.21 0.00 0.00 178.00 178.57 2qao h VAL 41 N 0.13 0.37 -0.00 3.15 2.07 -1.97 -2.16 116.25 117.84 2qao h VAL 41 Ca 0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.09 2qao h VAL 41 Cb 1.19 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2qao h VAL 41 CO -0.74 0.00 -0.14 0.52 0.02 0.00 0.00 177.57 177.24 2qao n VAL 42 N -5.41 0.00 -3.68 2.57 0.31 -0.66 -4.92 118.33 106.54 2qao n VAL 42 Ca -0.08 -0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 2qao n VAL 42 Cb 0.32 -0.25 0.03 0.00 -0.91 0.00 0.00 33.84 33.02 2qao n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qao n ARG 43 N -1.40 -5.27 -3.70 5.55 1.74 0.33 -4.97 116.66 108.95 2qao n ARG 43 Ca 0.08 0.63 -0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2qao n ARG 43 Cb 0.32 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 2qao n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qao s GLN 44 N -6.38 0.55 0.05 5.56 -1.52 -1.15 -4.97 119.66 111.79 2qao s GLN 44 Ca 0.57 0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 54.43 2qao s GLN 44 Cb -0.28 0.20 -0.08 0.00 -0.22 0.00 0.00 33.01 32.63 2qao s GLN 44 CO 0.71 -0.10 1.73 -1.01 -0.25 0.00 0.00 175.29 176.37 2qao s HIS 45 N 0.62 2.12 0.10 0.91 3.76 -1.26 -2.96 115.29 118.59 2qao s HIS 45 Ca -0.03 0.13 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 2qao s HIS 45 Cb -0.05 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.61 2qao s HIS 45 CO -0.04 -4.26 0.07 1.55 -0.85 0.00 0.00 174.74 171.21 2qao n VAL 46 N 5.00 0.00 -3.16 -0.90 3.14 -0.39 -4.95 118.33 117.07 2qao n VAL 46 Ca 0.17 -0.71 -0.39 0.00 -2.96 0.00 0.00 64.34 60.45 2qao n VAL 46 Cb 0.41 0.32 -0.05 0.00 -1.06 0.00 0.00 33.84 33.46 2qao n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qao s ILE 47 N -2.27 5.00 -0.13 1.55 1.09 -1.26 -0.77 121.20 124.41 2qao s ILE 47 Ca 0.10 1.27 -0.01 0.00 -1.10 0.00 0.00 60.65 60.92 2qao s ILE 47 Cb 0.00 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2qao s ILE 47 CO 0.07 0.34 -0.11 -0.31 -0.10 0.00 0.00 174.94 174.83 2qao s TYR 48 N 0.31 2.84 0.00 3.97 2.02 -1.26 -1.11 117.35 124.12 2qao s TYR 48 Ca 0.33 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2qao s TYR 48 Cb -0.18 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2qao s TYR 48 CO 0.16 -0.16 0.00 1.17 -1.57 0.00 0.00 175.55 175.16 2qao n LYS 49 N 3.45 3.24 -2.01 -0.62 3.00 0.85 -2.63 118.16 123.44 2qao n LYS 49 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2qao n LYS 49 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2qao n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qao n GLU 50 N -0.04 -4.00 -2.67 1.64 4.07 -1.19 -0.68 120.64 117.78 2qao n GLU 50 Ca 0.00 3.01 -0.05 0.00 -0.06 0.00 0.00 57.16 60.07 2qao n GLU 50 Cb 0.00 -3.71 0.03 0.00 -0.06 0.00 0.00 31.44 27.70 2qao n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qao n ALA 51 N 1.40 -1.28 0.00 4.31 0.00 -1.26 -3.73 120.51 119.96 2qao n ALA 51 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2qao n ALA 51 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2qao n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13