#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox n LYS 2 N 0.00 1.61 -1.79 5.56 4.81 -1.26 -2.17 118.16 124.93 1iox n LYS 2 Ca 0.00 0.45 -0.01 0.00 -0.87 0.00 0.00 58.31 57.88 1iox n LYS 2 Cb 0.00 -2.87 0.01 0.00 0.02 0.00 0.00 35.03 32.18 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iox n GLY 3 N 6.00 0.63 2.74 3.14 0.00 -1.26 -5.04 105.19 111.41 1iox n GLY 3 Ca 0.34 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1iox n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iox n HIS 4 N -1.49 -3.05 -0.29 1.61 8.25 -0.92 -5.14 115.22 114.19 1iox n HIS 4 Ca -0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.98 1iox n HIS 4 Cb 0.51 1.47 0.00 0.00 1.12 0.00 0.00 29.99 33.09 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1iox n PHE 5 N 2.03 0.00 -3.90 4.41 3.72 -1.26 -4.93 117.46 117.53 1iox n PHE 5 Ca 0.11 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1iox n PHE 5 Cb 0.62 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.03 1iox n PHE 5 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1iox s SER 6 N 1.00 0.06 -0.41 4.37 0.01 -1.22 -5.03 113.70 112.48 1iox s SER 6 Ca 0.00 -0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.02 1iox s SER 6 Cb 0.00 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1iox s SER 6 CO 0.00 -0.07 0.27 -0.13 0.41 0.00 0.00 173.24 173.71 1iox s ARG 7 N -0.36 2.79 -0.39 12.44 0.52 -1.26 -2.03 118.95 130.67 1iox s ARG 7 Ca -0.04 -1.25 -0.44 0.00 -0.52 0.00 0.00 55.73 53.48 1iox s ARG 7 Cb -0.02 -3.85 -0.19 0.00 0.52 0.00 0.00 34.95 31.41 1iox s ARG 7 CO -0.00 -0.85 1.58 0.00 0.02 0.00 0.00 175.30 176.05 1iox s PRO 9 N 2.78 1.15 0.44 0.00 0.04 -1.26 -4.68 135.00 133.47 1iox s PRO 9 Ca 1.02 0.50 0.19 0.00 0.04 0.00 0.00 61.00 62.74 1iox s PRO 9 Cb -1.36 -1.82 1.04 0.00 0.04 0.00 0.00 34.50 32.40 1iox s PRO 9 CO 0.75 -2.23 1.95 1.57 0.04 0.00 0.00 177.00 179.08 1iox h LYS 10 N -1.53 0.00 0.00 4.56 2.10 -1.96 -1.73 116.57 118.01 1iox h LYS 10 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1iox h LYS 10 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1iox h LYS 10 CO 0.59 0.23 0.00 1.04 -2.00 0.00 0.00 179.45 179.31 1iox n GLN 11 N -3.97 0.11 0.00 0.07 1.13 -1.26 -2.11 117.38 111.35 1iox n GLN 11 Ca -0.02 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1iox n GLN 11 Cb 0.31 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1iox n TYR 12 N -1.95 0.00 -1.55 1.08 4.01 -0.69 -4.79 117.16 113.27 1iox n TYR 12 Ca 0.01 -0.41 -0.28 0.00 -0.16 0.00 0.00 57.90 57.06 1iox n TYR 12 Cb 0.14 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1iox n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1iox n LYS 13 N -0.41 2.74 0.15 -0.72 5.02 -0.90 -4.41 118.16 119.63 1iox n LYS 13 Ca 0.00 -2.47 0.11 0.00 -2.02 0.00 0.00 58.31 53.94 1iox n LYS 13 Cb 0.27 -2.22 0.07 0.00 -0.02 0.00 0.00 35.03 33.13 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iox h HIS 14 N 3.26 0.00 -0.01 2.13 3.86 -1.87 -3.15 115.15 119.37 1iox h HIS 14 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1iox h HIS 14 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1iox h HIS 14 CO 1.50 0.01 -0.08 2.48 0.86 0.00 0.00 177.93 182.70 1iox n TYR 15 N -2.86 0.00 -3.16 2.45 0.18 -1.26 -4.69 117.16 107.82 1iox n TYR 15 Ca 0.02 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.83 1iox n TYR 15 Cb 0.55 -0.04 -0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox h ILE 17 N 5.78 0.44 -0.48 0.00 2.04 -1.55 -3.32 117.51 120.42 1iox h ILE 17 Ca -0.00 -1.20 -0.32 0.00 1.00 0.00 0.00 64.86 64.34 1iox h ILE 17 Cb 1.19 0.81 -0.14 0.00 -0.74 0.00 0.00 36.82 37.94 1iox h ILE 17 CO 0.13 0.14 0.41 0.29 0.00 0.00 0.00 178.15 179.12 1iox n LYS 18 N -4.83 1.79 -3.56 2.37 5.02 -0.45 -4.85 118.16 113.66 1iox n LYS 18 Ca -0.04 -1.56 -0.17 0.00 -2.02 0.00 0.00 58.31 54.52 1iox n LYS 18 Cb 0.16 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iox s GLY 19 N 0.15 -0.51 0.01 0.72 0.00 -1.25 -2.33 107.32 104.10 1iox s GLY 19 Ca 0.31 1.13 0.03 0.00 0.00 0.00 0.00 44.72 46.19 1iox s GLY 19 CO 0.00 0.79 -0.05 0.50 0.00 0.00 0.00 173.10 174.34 1iox s ARG 20 N -1.30 2.57 -0.04 2.90 0.52 0.12 -4.76 118.95 118.96 1iox s ARG 20 Ca -0.11 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1iox s ARG 20 Cb -0.01 -2.52 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1iox s ARG 20 CO 0.08 0.60 -0.17 0.00 0.02 0.00 0.00 175.30 175.83 1iox s ARG 22 N -0.02 3.72 -0.22 0.00 6.06 -0.11 -1.46 118.95 126.92 1iox s ARG 22 Ca -0.02 0.10 -0.00 0.00 -2.50 0.00 0.00 55.73 53.30 1iox s ARG 22 Cb -0.11 -3.23 0.02 0.00 0.06 0.00 0.00 34.95 31.69 1iox s ARG 22 CO 0.02 0.68 -0.13 0.12 -2.50 0.00 0.00 175.30 173.49 1iox s PHE 23 N -0.87 2.95 -0.27 5.12 2.19 -0.86 -1.49 117.98 124.75 1iox s PHE 23 Ca 0.18 -1.61 -0.24 0.00 0.33 0.00 0.00 56.93 55.59 1iox s PHE 23 Cb -0.14 -1.99 -0.00 0.00 -1.31 0.00 0.00 43.02 39.58 1iox s PHE 23 CO 0.07 -0.76 0.81 0.08 1.83 0.00 0.00 175.22 177.26 1iox s VAL 24 N 1.30 4.81 -0.05 3.12 1.01 -0.95 -3.46 120.40 126.19 1iox s VAL 24 Ca 0.02 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 63.41 1iox s VAL 24 Cb -0.15 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1iox s VAL 24 CO -0.08 -0.15 -0.01 0.58 0.00 0.00 0.00 175.10 175.44 1iox h VAL 25 N 5.50 0.00 -1.66 2.92 2.07 -1.94 -2.56 116.25 120.58 1iox h VAL 25 Ca -0.24 -0.45 0.52 0.00 0.82 0.00 0.00 66.70 67.35 1iox h VAL 25 Cb 1.09 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 1iox h VAL 25 CO 0.88 0.00 1.14 0.00 0.02 0.00 0.00 177.57 179.61 1iox h ALA 26 N -1.55 3.34 -2.87 1.67 0.00 -1.96 -2.78 119.26 115.12 1iox h ALA 26 Ca 0.00 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.34 1iox h ALA 26 Cb 0.02 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 1iox h ALA 26 CO 0.00 -1.96 -0.77 -2.00 0.00 0.00 0.00 179.25 174.52 1iox s GLU 27 N -5.07 1.14 -0.73 0.00 -6.30 -1.25 -5.05 118.70 101.45 1iox s GLU 27 Ca -0.06 -1.91 -0.08 0.00 -2.50 0.00 0.00 54.97 50.42 1iox s GLU 27 Cb 0.29 -2.10 -0.24 0.00 0.00 0.00 0.00 34.13 32.08 1iox s GLU 27 CO 0.86 -1.19 1.61 0.94 0.02 0.00 0.00 175.26 177.50 1iox n GLN 28 N 3.56 0.00 -3.41 4.30 7.27 -1.05 -4.50 117.38 123.56 1iox n GLN 28 Ca 0.11 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.96 1iox n GLN 28 Cb 0.36 -0.77 -0.10 0.00 2.41 0.00 0.00 30.24 32.15 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1iox s THR 29 N 0.65 -0.18 0.10 1.69 2.01 -0.98 -4.97 115.64 113.97 1iox s THR 29 Ca 0.97 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1iox s THR 29 Cb -0.65 -0.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.94 1iox s THR 29 CO 0.41 -0.71 0.93 -2.16 -0.69 0.00 0.00 174.62 172.40 1iox s PRO 30 N 1.45 4.67 -0.15 4.92 0.04 -1.26 -2.24 135.00 142.43 1iox s PRO 30 Ca 0.16 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1iox s PRO 30 Cb -0.18 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 31.05 1iox s PRO 30 CO -0.07 0.23 0.11 -1.12 0.04 0.00 0.00 177.00 176.19 1iox s SER 31 N -0.03 1.89 -0.01 6.66 0.01 -0.55 -5.01 113.70 116.65 1iox s SER 31 Ca 0.46 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 1iox s SER 31 Cb -0.23 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1iox s SER 31 CO 0.29 -0.32 0.23 0.00 0.41 0.00 0.00 173.24 173.84 1iox s VAL 33 N -1.27 -0.11 0.32 0.00 1.01 -0.44 -4.95 120.40 114.95 1iox s VAL 33 Ca 0.26 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1iox s VAL 33 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1iox s VAL 33 CO 0.15 0.09 0.37 0.00 0.00 0.00 0.00 175.10 175.72 1iox s ASP 35 N -4.06 6.23 0.53 0.00 1.01 -0.99 -4.81 116.67 114.58 1iox s ASP 35 Ca 0.41 2.17 0.43 0.00 0.71 0.00 0.00 52.55 56.27 1iox s ASP 35 Cb -0.08 -2.53 1.62 0.00 1.01 0.00 0.00 42.92 42.95 1iox s ASP 35 CO 0.29 -1.30 1.65 1.05 0.21 0.00 0.00 175.17 177.06 1iox h GLU 36 N 11.54 0.02 -1.67 8.23 4.11 -1.96 0.48 114.58 135.34 1iox h GLU 36 Ca -0.42 -0.00 -0.38 0.00 0.07 0.00 0.00 59.36 58.63 1iox h GLU 36 Cb 1.21 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1iox h GLU 36 CO 0.96 0.01 0.40 0.41 0.07 0.00 0.00 179.01 180.87 1iox n GLY 37 N -1.80 4.19 3.51 1.06 0.00 -1.26 -4.90 105.19 105.99 1iox n GLY 37 Ca 0.38 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 1iox n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iox s TYR 38 N -1.76 2.14 -0.08 1.61 1.13 0.17 -1.79 117.35 118.76 1iox s TYR 38 Ca 0.41 -0.87 -0.14 0.00 -1.41 0.00 0.00 57.07 55.06 1iox s TYR 38 Cb 0.29 -1.45 0.03 0.00 -1.10 0.00 0.00 41.96 39.74 1iox s TYR 38 CO -0.07 0.15 0.34 0.42 -2.51 0.00 0.00 175.55 173.88 1iox s ILE 39 N -3.10 0.02 0.00 -3.49 1.01 -0.79 -4.64 121.20 110.21 1iox s ILE 39 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1iox s ILE 39 Cb 0.09 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1iox s ILE 39 CO 0.16 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1iox n GLY 40 N 2.20 3.63 0.06 6.18 0.00 -1.26 -0.75 105.19 115.26 1iox n GLY 40 Ca -0.17 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1iox n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iox h ALA 41 N 0.00 -0.03 -0.35 4.61 0.00 -2.00 -3.03 119.26 118.45 1iox h ALA 41 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1iox h ALA 41 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iox h ALA 41 CO 0.00 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 179.50 1iox n ARG 42 N -4.89 2.19 -2.75 0.00 1.74 -1.26 -4.91 116.66 106.79 1iox n ARG 42 Ca -0.08 -1.41 -0.10 0.00 -0.77 0.00 0.00 57.85 55.48 1iox n ARG 42 Cb 0.24 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iox n GLU 44 N -2.78 1.93 -4.30 0.00 -0.58 -1.24 -1.34 120.64 112.33 1iox n GLU 44 Ca -0.09 -0.04 -0.27 0.00 -0.42 0.00 0.00 57.16 56.34 1iox n GLU 44 Cb 0.59 -1.17 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1iox s ARG 45 N -2.46 2.18 0.04 3.49 3.00 0.08 -5.02 118.95 120.27 1iox s ARG 45 Ca 0.01 -2.04 -0.06 0.00 0.00 0.00 0.00 55.73 53.64 1iox s ARG 45 Cb 0.09 -1.85 -0.01 0.00 0.00 0.00 0.00 34.95 33.18 1iox s ARG 45 CO 0.53 -0.25 0.12 0.54 0.00 0.00 0.00 175.30 176.24 1iox s VAL 46 N -2.71 0.13 -0.54 3.52 0.11 -1.26 -1.88 120.40 117.78 1iox s VAL 46 Ca 0.31 -1.08 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 1iox s VAL 46 Cb 0.03 -0.95 0.17 0.00 -1.53 0.00 0.00 36.38 34.10 1iox s VAL 46 CO 0.17 -0.60 0.40 -0.62 -3.33 0.00 0.00 175.10 171.12 1iox s ASP 47 N -2.20 3.13 0.00 3.54 -1.08 -0.74 -4.72 116.67 114.60 1iox s ASP 47 Ca -0.04 -3.36 0.00 0.00 -0.52 0.00 0.00 52.55 48.63 1iox s ASP 47 Cb -0.00 -1.01 0.00 0.00 -1.46 0.00 0.00 42.92 40.44 1iox s ASP 47 CO -0.05 -0.14 0.00 -0.11 0.52 0.00 0.00 175.17 175.39 1iox n LEU 48 N 2.54 0.00 0.00 -1.34 7.94 -1.26 -4.75 117.00 120.13 1iox n LEU 48 Ca 0.23 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.24 1iox n LEU 48 Cb 0.41 0.00 0.64 0.00 0.53 0.00 0.00 43.42 45.00 1iox n LEU 48 CO 0.18 0.00 0.88 0.49 -1.11 0.00 0.00 177.39 177.83 1iox n PHE 49 N 0.00 0.00 1.48 1.96 3.01 -1.26 -5.21 117.46 117.44 1iox n PHE 49 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 1iox n PHE 49 Cb 0.00 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 39.98 1iox n PHE 49 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75