#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 0.19 -1.22 5.56 4.81 -1.26 -5.13 118.16 121.11 1iox n LYS 2 Ca 0.00 -0.81 0.00 0.00 -0.87 0.00 0.00 58.31 56.63 1iox n LYS 2 Cb 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 34.71 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 1.61 -4.19 2.47 3.14 0.00 -1.26 -4.93 105.19 102.03 1iox n GLY 3 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.13 0.92 -2.23 1.61 8.25 -1.26 -5.09 115.22 116.30 1iox n HIS 4 Ca 0.00 -3.27 0.00 0.00 -0.26 0.00 0.00 57.72 54.19 1iox n HIS 4 Cb 0.05 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 0.06 0.00 -4.27 4.41 3.72 -1.26 -5.00 117.46 115.13 1iox n PHE 5 Ca 0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.38 1iox n PHE 5 Cb 0.73 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.00 0.35 4.37 0.01 -1.22 -5.03 113.70 114.18 1iox s SER 6 Ca 0.00 -0.15 -0.15 0.00 1.31 0.00 0.00 55.95 56.96 1iox s SER 6 Cb 0.00 -0.33 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1iox s SER 6 CO 0.00 0.02 0.78 0.00 0.41 0.00 0.00 173.24 174.45 1iox s ARG 7 N 0.41 4.01 -0.06 12.44 3.03 -1.26 -1.67 118.95 135.85 1iox s ARG 7 Ca -0.06 0.72 -0.19 0.00 2.03 0.00 0.00 55.73 58.24 1iox s ARG 7 Cb -0.10 -2.38 -0.05 0.00 -1.03 0.00 0.00 34.95 31.40 1iox s ARG 7 CO 0.00 0.09 0.53 0.00 -1.13 0.00 0.00 175.30 174.80 1iox s PRO 9 N 0.18 2.51 0.39 0.00 0.04 -1.26 -4.76 135.00 132.10 1iox s PRO 9 Ca 0.29 0.96 0.13 0.00 0.04 0.00 0.00 61.00 62.41 1iox s PRO 9 Cb -0.17 -1.94 0.80 0.00 0.04 0.00 0.00 34.50 33.23 1iox s PRO 9 CO 0.14 -1.40 1.88 -0.22 0.04 0.00 0.00 177.00 177.43 1iox h LYS 10 N -0.94 0.02 0.00 4.56 3.64 -1.97 -1.85 116.57 120.04 1iox h LYS 10 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1iox h LYS 10 Cb 1.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1iox h LYS 10 CO 0.55 0.33 0.00 0.94 -2.27 0.00 0.00 179.45 179.00 1iox n GLN 11 N -4.17 0.01 0.00 1.90 7.27 -1.26 -2.08 117.38 119.05 1iox n GLN 11 Ca -0.02 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1iox n GLN 11 Cb 0.35 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.50 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1iox n TYR 12 N -1.49 0.00 -1.77 3.69 4.01 -0.73 -4.81 117.16 116.06 1iox n TYR 12 Ca 0.03 -0.27 -0.35 0.00 -0.16 0.00 0.00 57.90 57.15 1iox n TYR 12 Cb 0.12 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.27 3.85 0.08 -0.72 5.02 -0.88 -4.48 118.16 120.75 1iox n LYS 13 Ca 0.00 -2.98 0.12 0.00 -2.02 0.00 0.00 58.31 53.44 1iox n LYS 13 Cb 0.19 -2.49 0.23 0.00 -0.02 0.00 0.00 35.03 32.94 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 4.13 0.00 -0.09 2.13 3.86 -1.87 -3.16 115.15 120.15 1iox h HIS 14 Ca 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.82 1iox h HIS 14 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1iox h HIS 14 CO 1.60 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.87 1iox n TYR 15 N -2.19 0.10 -3.64 2.45 0.18 -1.26 -4.81 117.16 108.00 1iox n TYR 15 Ca 0.04 -0.05 -0.03 0.00 1.88 0.00 0.00 57.90 59.74 1iox n TYR 15 Cb 0.44 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.35 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 5.64 0.00 -2.33 0.00 2.04 -1.58 -3.40 117.51 117.88 1iox h ILE 17 Ca -0.22 -0.58 -0.74 0.00 1.00 0.00 0.00 64.86 64.32 1iox h ILE 17 Cb 1.14 0.00 -0.32 0.00 -0.74 0.00 0.00 36.82 36.91 1iox h ILE 17 CO 0.12 0.00 0.51 2.29 0.00 0.00 0.00 178.15 181.07 1iox n LYS 18 N -3.60 4.65 -3.74 2.37 2.85 -0.71 -4.98 118.16 114.99 1iox n LYS 18 Ca -0.01 -4.71 -0.11 0.00 -1.05 0.00 0.00 58.31 52.43 1iox n LYS 18 Cb 0.02 -2.41 -0.07 0.00 -0.65 0.00 0.00 35.03 31.92 1iox n LYS 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1iox s GLY 19 N -1.99 -0.13 -0.11 2.58 0.00 -1.26 -2.18 107.32 104.22 1iox s GLY 19 Ca 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 45.07 1iox s GLY 19 CO -0.10 -0.25 0.01 -1.60 0.00 0.00 0.00 173.10 171.16 1iox s ARG 20 N -2.78 3.27 0.10 2.90 3.52 0.15 -4.90 118.95 121.21 1iox s ARG 20 Ca -0.03 -0.40 0.10 0.00 -0.13 0.00 0.00 55.73 55.27 1iox s ARG 20 Cb -0.00 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 1iox s ARG 20 CO -0.05 0.57 -0.26 0.00 -0.81 0.00 0.00 175.30 174.75 1iox s ARG 22 N -1.77 2.12 -0.32 0.00 3.52 -0.51 -1.70 118.95 120.29 1iox s ARG 22 Ca 0.12 -0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 55.05 1iox s ARG 22 Cb -0.10 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.20 1iox s ARG 22 CO 0.05 -0.27 0.20 0.12 -0.81 0.00 0.00 175.30 174.59 1iox s PHE 23 N 1.51 3.21 -0.36 5.12 2.19 -0.67 -1.75 117.98 127.23 1iox s PHE 23 Ca 0.04 -0.23 -0.23 0.00 0.33 0.00 0.00 56.93 56.83 1iox s PHE 23 Cb -0.13 -2.42 0.01 0.00 -1.31 0.00 0.00 43.02 39.16 1iox s PHE 23 CO -0.10 -0.34 0.79 0.08 1.83 0.00 0.00 175.22 177.48 1iox s VAL 24 N 1.70 4.73 -0.05 3.12 1.01 -0.95 -3.43 120.40 126.53 1iox s VAL 24 Ca 0.06 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 1iox s VAL 24 Cb -0.17 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1iox s VAL 24 CO 0.09 -0.44 0.33 0.58 0.00 0.00 0.00 175.10 175.67 1iox h VAL 25 N 5.75 0.00 -0.89 2.92 2.07 -1.94 -2.52 116.25 121.65 1iox h VAL 25 Ca -0.25 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.74 1iox h VAL 25 Cb 1.09 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1iox h VAL 25 CO 0.91 0.00 -0.58 0.00 0.02 0.00 0.00 177.57 177.93 1iox h ALA 26 N -1.27 -0.57 -2.90 1.67 0.00 -1.96 -2.92 119.26 111.31 1iox h ALA 26 Ca -0.03 0.10 -0.76 0.00 0.00 0.00 0.00 54.91 54.22 1iox h ALA 26 Cb 0.19 1.32 -0.29 0.00 0.00 0.00 0.00 17.79 19.01 1iox h ALA 26 CO 0.04 -0.97 0.00 -1.21 0.00 0.00 0.00 179.25 177.11 1iox s GLU 27 N -5.54 3.38 -0.64 0.00 0.41 -1.26 -4.98 118.70 110.08 1iox s GLU 27 Ca -0.13 -2.57 -0.07 0.00 -0.41 0.00 0.00 54.97 51.79 1iox s GLU 27 Cb 0.11 -4.25 -0.21 0.00 -1.78 0.00 0.00 34.13 28.00 1iox s GLU 27 CO 0.62 -1.26 1.42 1.04 -0.49 0.00 0.00 175.26 176.59 1iox n GLN 28 N 3.68 0.00 -3.35 1.61 6.02 -1.10 -4.59 117.38 119.65 1iox n GLN 28 Ca 0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 1iox n GLN 28 Cb 0.44 -0.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.93 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iox s THR 29 N 0.70 -0.15 -0.87 5.09 2.01 -0.95 -4.98 115.64 116.48 1iox s THR 29 Ca 0.85 -1.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.16 1iox s THR 29 Cb -0.58 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1iox s THR 29 CO 0.36 -0.76 1.47 -2.16 -0.69 0.00 0.00 174.62 172.84 1iox s PRO 30 N 1.07 3.27 -0.01 4.92 0.04 -1.26 -2.23 135.00 140.79 1iox s PRO 30 Ca 0.21 -0.58 -0.12 0.00 0.04 0.00 0.00 61.00 60.55 1iox s PRO 30 Cb -0.13 -4.82 -0.05 0.00 0.04 0.00 0.00 34.50 29.53 1iox s PRO 30 CO -0.05 -2.34 0.34 -1.12 0.04 0.00 0.00 177.00 173.87 1iox s SER 31 N 5.07 6.67 -0.14 6.66 0.01 -0.72 -5.00 113.70 126.26 1iox s SER 31 Ca 0.46 0.80 0.01 0.00 1.31 0.00 0.00 55.95 58.53 1iox s SER 31 Cb -0.05 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 64.02 1iox s SER 31 CO 0.02 0.31 -0.16 0.00 0.41 0.00 0.00 173.24 173.82 1iox s VAL 33 N 1.24 1.91 0.33 0.00 1.01 -0.35 -4.99 120.40 119.55 1iox s VAL 33 Ca 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 61.98 60.82 1iox s VAL 33 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1iox s VAL 33 CO -0.07 0.33 0.02 0.00 0.00 0.00 0.00 175.10 175.38 1iox n ASP 35 N -0.97 1.88 -0.30 0.00 8.00 -0.93 -4.80 116.55 119.43 1iox n ASP 35 Ca -0.04 1.11 -0.01 0.00 0.71 0.00 0.00 54.79 56.56 1iox n ASP 35 Cb 0.62 -1.08 0.05 0.00 -0.02 0.00 0.00 41.12 40.68 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1iox h GLU 36 N 6.05 -0.05 -2.04 -1.24 3.07 -1.96 0.15 114.58 118.56 1iox h GLU 36 Ca -0.46 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.89 1iox h GLU 36 Cb 1.34 0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 29.09 1iox h GLU 36 CO 0.91 -0.03 0.50 0.41 -1.40 0.00 0.00 179.01 179.39 1iox n GLY 37 N -1.48 4.37 3.71 -3.84 0.00 -1.26 -4.92 105.19 101.76 1iox n GLY 37 Ca 0.09 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.63 2.49 0.09 1.61 1.13 0.53 -1.25 117.35 120.32 1iox s TYR 38 Ca 0.59 -0.65 -0.13 0.00 -1.41 0.00 0.00 57.07 55.47 1iox s TYR 38 Cb 0.37 -1.87 0.02 0.00 -1.10 0.00 0.00 41.96 39.37 1iox s TYR 38 CO -0.21 0.25 0.29 0.42 -2.51 0.00 0.00 175.55 173.79 1iox s ILE 39 N -2.67 0.10 0.00 -3.49 1.01 -0.66 -4.79 121.20 110.71 1iox s ILE 39 Ca 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1iox s ILE 39 Cb 0.06 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1iox s ILE 39 CO 0.20 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.28 1iox n GLY 40 N 0.07 2.67 0.18 6.18 0.00 -1.26 -1.07 105.19 111.96 1iox n GLY 40 Ca -0.16 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 1.31 -0.69 4.61 0.00 -2.00 -2.57 119.26 119.91 1iox h ALA 41 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iox h ALA 41 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iox h ALA 41 CO 0.00 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.31 1iox n ARG 42 N -4.04 2.70 -3.05 0.00 3.00 -1.26 -4.95 116.66 109.06 1iox n ARG 42 Ca -0.02 -2.63 -0.13 0.00 -0.01 0.00 0.00 57.85 55.07 1iox n ARG 42 Cb 0.44 -1.57 0.06 0.00 0.00 0.00 0.00 32.46 31.40 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iox n GLU 44 N -3.28 1.81 -2.58 0.00 2.13 -1.20 -1.74 120.64 115.78 1iox n GLU 44 Ca -0.19 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.34 1iox n GLU 44 Cb 0.62 -1.32 -0.01 0.00 0.27 0.00 0.00 31.44 31.00 1iox n GLU 44 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1iox s ARG 45 N -2.30 3.67 0.09 5.31 0.52 -0.23 -4.97 118.95 121.04 1iox s ARG 45 Ca -0.08 0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 1iox s ARG 45 Cb 0.04 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1iox s ARG 45 CO 0.49 -0.20 -0.10 0.54 0.02 0.00 0.00 175.30 176.04 1iox s VAL 46 N -2.66 0.91 -0.48 3.52 0.11 -1.26 -1.65 120.40 118.88 1iox s VAL 46 Ca 0.51 -1.54 0.07 0.00 -2.93 0.00 0.00 61.98 58.08 1iox s VAL 46 Cb -0.10 -1.25 0.24 0.00 -1.53 0.00 0.00 36.38 33.74 1iox s VAL 46 CO 0.40 -0.51 0.57 -0.67 -3.33 0.00 0.00 175.10 171.56 1iox n ASP 47 N 0.73 1.27 -1.80 3.54 -0.08 -0.38 -4.81 116.55 115.01 1iox n ASP 47 Ca -0.17 -2.90 -0.02 0.00 -1.51 0.00 0.00 54.79 50.19 1iox n ASP 47 Cb 0.57 -0.65 0.07 0.00 2.34 0.00 0.00 41.12 43.45 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1iox n LEU 48 N 1.42 2.23 0.13 -2.67 4.77 -1.26 -4.79 117.00 116.83 1iox n LEU 48 Ca 0.24 -3.18 0.12 0.00 -0.03 0.00 0.00 56.01 53.16 1iox n LEU 48 Cb 0.48 -0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1iox n LEU 48 CO 0.24 1.13 0.39 -0.26 -1.33 0.00 0.00 177.39 177.56 1iox h PHE 49 N 1.68 0.00 0.00 -1.77 -1.00 -1.98 -3.55 116.94 110.32 1iox h PHE 49 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1iox h PHE 49 Cb 1.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.03 1iox h PHE 49 CO 0.51 0.00 0.00 0.98 -1.61 0.00 0.00 178.31 178.19