#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 0.00 -0.11 -0.14 3.00 -1.26 -4.68 118.16 114.97 1iox n LYS 2 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1iox n LYS 2 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.16 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iox n GLY 3 N 0.00 -3.81 2.39 3.14 0.00 -1.26 -4.96 105.19 100.69 1iox n GLY 3 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.27 2.77 -2.04 1.61 8.25 -1.26 -5.04 115.22 115.23 1iox n HIS 4 Ca 0.06 -2.72 0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1iox n HIS 4 Cb 0.27 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.51 0.00 -3.75 4.41 3.72 -1.26 -4.83 117.46 115.24 1iox n PHE 5 Ca 0.34 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.62 1iox n PHE 5 Cb 0.79 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.45 -0.38 0.14 4.37 0.01 -1.22 -4.99 113.70 112.08 1iox s SER 6 Ca 0.00 0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.89 1iox s SER 6 Cb 0.00 0.72 -0.06 0.00 0.21 0.00 0.00 66.02 66.89 1iox s SER 6 CO 0.00 -0.13 0.45 -0.13 0.41 0.00 0.00 173.24 173.84 1iox s ARG 7 N 0.30 3.76 -0.46 12.44 0.52 -1.26 -2.02 118.95 132.22 1iox s ARG 7 Ca -0.01 0.16 -0.22 0.00 -0.52 0.00 0.00 55.73 55.14 1iox s ARG 7 Cb -0.03 -2.85 0.03 0.00 0.52 0.00 0.00 34.95 32.61 1iox s ARG 7 CO -0.01 0.46 0.73 0.00 0.02 0.00 0.00 175.30 176.51 1iox s PRO 9 N 3.12 -0.16 0.45 0.00 0.04 -1.26 -4.62 135.00 132.58 1iox s PRO 9 Ca 0.26 -0.04 0.22 0.00 0.04 0.00 0.00 61.00 61.48 1iox s PRO 9 Cb -0.13 -1.72 1.07 0.00 0.04 0.00 0.00 34.50 33.76 1iox s PRO 9 CO 0.20 -3.01 1.92 1.57 0.04 0.00 0.00 177.00 177.73 1iox h LYS 10 N -2.08 0.00 0.00 4.56 2.10 -1.96 -2.27 116.57 116.93 1iox h LYS 10 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1iox h LYS 10 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1iox h LYS 10 CO 0.43 0.23 0.00 0.94 -2.00 0.00 0.00 179.45 179.05 1iox n GLN 11 N -3.71 0.03 -0.16 0.07 -0.06 -1.26 -2.17 117.38 110.13 1iox n GLN 11 Ca -0.01 0.47 0.01 0.00 -2.00 0.00 0.00 57.00 55.46 1iox n GLN 11 Cb 0.35 -1.59 0.01 0.00 -4.06 0.00 0.00 30.24 24.94 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1iox n TYR 12 N -1.66 0.00 -1.31 3.69 4.01 -0.89 -4.86 117.16 116.13 1iox n TYR 12 Ca 0.01 -0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.35 1iox n TYR 12 Cb 0.05 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.19 2.23 0.14 -0.72 5.02 -0.92 -4.36 118.16 119.36 1iox n LYS 13 Ca 0.01 -2.09 0.10 0.00 -2.02 0.00 0.00 58.31 54.31 1iox n LYS 13 Cb 0.54 -2.00 0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 2.58 0.00 -0.06 2.13 3.86 -1.89 -3.15 115.15 118.61 1iox h HIS 14 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1iox h HIS 14 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1iox h HIS 14 CO 1.30 0.08 0.00 2.48 0.86 0.00 0.00 177.93 182.65 1iox n TYR 15 N -2.89 0.07 -3.19 2.45 0.18 -1.26 -4.65 117.16 107.87 1iox n TYR 15 Ca 0.01 -0.03 0.02 0.00 1.88 0.00 0.00 57.90 59.77 1iox n TYR 15 Cb 0.58 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.53 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox n ILE 17 N 4.60 0.00 -2.40 0.00 2.08 -0.85 -3.57 119.36 119.22 1iox n ILE 17 Ca 0.10 0.93 -0.42 0.00 0.56 0.00 0.00 62.75 63.92 1iox n ILE 17 Cb 0.57 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 1iox n ILE 17 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1iox n LYS 18 N -0.56 3.88 -3.62 0.38 2.85 -0.82 -4.90 118.16 115.38 1iox n LYS 18 Ca 0.00 -3.69 -0.15 0.00 -1.05 0.00 0.00 58.31 53.42 1iox n LYS 18 Cb 0.00 -2.82 -0.07 0.00 -0.65 0.00 0.00 35.03 31.49 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 0.35 -0.52 -0.14 2.58 0.00 -1.23 -2.27 107.32 106.08 1iox s GLY 19 Ca 0.40 1.77 -0.11 0.00 0.00 0.00 0.00 44.72 46.78 1iox s GLY 19 CO 0.01 1.49 0.23 0.50 0.00 0.00 0.00 173.10 175.33 1iox s ARG 20 N -0.01 4.02 -0.02 2.90 3.00 0.54 -4.86 118.95 124.51 1iox s ARG 20 Ca -0.03 -0.00 0.05 0.00 0.00 0.00 0.00 55.73 55.76 1iox s ARG 20 Cb -0.04 -3.35 -0.01 0.00 0.00 0.00 0.00 34.95 31.55 1iox s ARG 20 CO 0.03 0.43 -0.18 0.00 0.00 0.00 0.00 175.30 175.58 1iox s ARG 22 N -0.32 3.27 -0.26 0.00 0.52 -0.08 -1.12 118.95 120.96 1iox s ARG 22 Ca 0.04 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1iox s ARG 22 Cb -0.08 -2.71 0.03 0.00 0.52 0.00 0.00 34.95 32.71 1iox s ARG 22 CO 0.00 0.38 -0.04 0.12 0.02 0.00 0.00 175.30 175.78 1iox s PHE 23 N -0.04 3.12 -0.33 -0.53 2.19 -0.85 -1.33 117.98 120.21 1iox s PHE 23 Ca -0.01 -1.60 -0.22 0.00 0.33 0.00 0.00 56.93 55.43 1iox s PHE 23 Cb -0.14 -2.08 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 1iox s PHE 23 CO 0.03 -0.74 0.73 0.08 1.83 0.00 0.00 175.22 177.16 1iox s VAL 24 N 1.32 4.81 -0.10 3.12 1.01 -0.98 -3.43 120.40 126.15 1iox s VAL 24 Ca -0.01 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 1iox s VAL 24 Cb -0.17 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1iox s VAL 24 CO -0.03 -0.30 0.04 0.58 0.00 0.00 0.00 175.10 175.38 1iox h VAL 25 N 5.66 0.07 -1.32 2.92 2.07 -1.91 -2.52 116.25 121.22 1iox h VAL 25 Ca -0.25 -1.04 0.44 0.00 0.82 0.00 0.00 66.70 66.66 1iox h VAL 25 Cb 1.10 0.13 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1iox h VAL 25 CO 0.87 0.02 0.85 0.00 0.02 0.00 0.00 177.57 179.34 1iox h ALA 26 N -0.96 2.74 -3.12 1.67 0.00 -1.92 -2.98 119.26 114.68 1iox h ALA 26 Ca -0.00 0.12 -0.61 0.00 0.00 0.00 0.00 54.91 54.42 1iox h ALA 26 Cb 0.05 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 17.65 1iox h ALA 26 CO 0.00 -1.38 -0.73 -2.00 0.00 0.00 0.00 179.25 175.14 1iox s GLU 27 N -5.30 1.23 -0.72 0.00 -6.30 -1.24 -5.04 118.70 101.33 1iox s GLU 27 Ca -0.08 -1.83 -0.08 0.00 -2.50 0.00 0.00 54.97 50.48 1iox s GLU 27 Cb 0.30 -2.42 -0.24 0.00 0.00 0.00 0.00 34.13 31.77 1iox s GLU 27 CO 0.82 -1.10 1.58 1.04 0.02 0.00 0.00 175.26 177.63 1iox n GLN 28 N 3.87 0.00 -3.26 4.30 6.02 -1.13 -4.52 117.38 122.67 1iox n GLN 28 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1iox n GLN 28 Cb 0.37 -0.75 -0.07 0.00 1.02 0.00 0.00 30.24 30.81 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 0.48 -0.18 -0.84 5.09 2.01 -0.95 -4.99 115.64 116.26 1iox s THR 29 Ca 0.96 -1.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 1iox s THR 29 Cb -0.64 -0.79 0.04 0.00 0.01 0.00 0.00 72.50 71.13 1iox s THR 29 CO 0.41 -0.75 1.32 -2.16 -0.69 0.00 0.00 174.62 172.75 1iox s PRO 30 N 0.77 3.34 -0.17 4.92 0.04 -1.26 -2.31 135.00 140.33 1iox s PRO 30 Ca 0.26 -0.65 -0.10 0.00 0.04 0.00 0.00 61.00 60.55 1iox s PRO 30 Cb -0.06 -4.63 -0.05 0.00 0.04 0.00 0.00 34.50 29.80 1iox s PRO 30 CO -0.09 -2.14 0.17 0.45 0.04 0.00 0.00 177.00 175.43 1iox s SER 31 N 4.18 6.31 -0.15 6.66 0.15 -0.44 -5.00 113.70 125.41 1iox s SER 31 Ca 0.38 0.35 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1iox s SER 31 Cb -0.06 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1iox s SER 31 CO 0.05 0.22 -0.19 0.00 1.20 0.00 0.00 173.24 174.51 1iox s VAL 33 N 0.89 1.48 0.44 0.00 1.01 -0.45 -4.98 120.40 118.79 1iox s VAL 33 Ca -0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1iox s VAL 33 Cb -0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1iox s VAL 33 CO -0.03 0.33 0.67 0.00 0.00 0.00 0.00 175.10 176.08 1iox n ASP 35 N -2.08 2.20 -0.30 0.00 -0.08 -0.96 -4.81 116.55 110.53 1iox n ASP 35 Ca 0.00 1.09 0.12 0.00 -1.51 0.00 0.00 54.79 54.49 1iox n ASP 35 Cb 0.57 -1.22 0.29 0.00 2.34 0.00 0.00 41.12 43.10 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1iox h GLU 36 N 5.88 0.39 -1.71 -0.67 4.81 -1.94 0.13 114.58 121.48 1iox h GLU 36 Ca -0.47 -0.02 -0.41 0.00 -0.13 0.00 0.00 59.36 58.33 1iox h GLU 36 Cb 1.31 -0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.45 1iox h GLU 36 CO 0.86 0.26 0.42 0.41 -0.73 0.00 0.00 179.01 180.22 1iox n GLY 37 N -1.34 4.27 3.64 1.92 0.00 -1.26 -4.91 105.19 107.51 1iox n GLY 37 Ca 0.21 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.83 2.54 0.16 1.61 1.13 0.45 -1.70 117.35 119.71 1iox s TYR 38 Ca 0.45 -0.48 -0.08 0.00 -1.41 0.00 0.00 57.07 55.55 1iox s TYR 38 Cb 0.31 -1.56 -0.01 0.00 -1.10 0.00 0.00 41.96 39.60 1iox s TYR 38 CO -0.10 0.45 0.26 0.42 -2.51 0.00 0.00 175.55 174.07 1iox s ILE 39 N -2.55 0.07 0.00 -3.49 1.01 -0.72 -4.73 121.20 110.79 1iox s ILE 39 Ca 0.35 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1iox s ILE 39 Cb 0.01 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1iox s ILE 39 CO 0.19 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1iox n GLY 40 N -0.20 2.53 0.08 6.18 0.00 -1.26 -1.19 105.19 111.32 1iox n GLY 40 Ca -0.07 -1.83 0.13 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 n ALA 41 N 1.16 2.33 -0.75 4.61 0.00 -1.26 -3.41 120.51 123.18 1iox n ALA 41 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1iox n ALA 41 Cb 0.00 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 18.08 1iox n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iox n ARG 42 N -2.07 1.77 -2.13 0.00 1.74 -1.26 -4.96 116.66 109.75 1iox n ARG 42 Ca 0.06 -2.16 -0.17 0.00 -0.77 0.00 0.00 57.85 54.82 1iox n ARG 42 Cb 0.41 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.58 0.45 -4.15 0.00 -0.00 -1.24 -1.95 120.64 111.16 1iox n GLU 44 Ca -0.19 -0.32 -0.23 0.00 -0.00 0.00 0.00 57.16 56.41 1iox n GLU 44 Cb 0.63 -1.49 -0.05 0.00 -0.00 0.00 0.00 31.44 30.52 1iox n GLU 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1iox s ARG 45 N -2.77 2.75 0.13 3.44 3.00 -0.33 -5.02 118.95 120.15 1iox s ARG 45 Ca 0.15 -1.11 0.07 0.00 -1.00 0.00 0.00 55.73 53.85 1iox s ARG 45 Cb 0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 34.95 32.61 1iox s ARG 45 CO 0.67 0.41 -0.16 0.54 0.00 0.00 0.00 175.30 176.76 1iox s VAL 46 N -2.09 1.55 -0.65 7.11 0.11 -1.26 -1.76 120.40 123.41 1iox s VAL 46 Ca 0.32 -1.76 0.04 0.00 -2.93 0.00 0.00 61.98 57.65 1iox s VAL 46 Cb -0.08 -1.64 0.33 0.00 -1.53 0.00 0.00 36.38 33.45 1iox s VAL 46 CO 0.23 -0.33 1.05 -0.67 -3.33 0.00 0.00 175.10 172.04 1iox n ASP 47 N 0.52 4.81 0.00 3.54 2.03 -0.69 -4.70 116.55 122.06 1iox n ASP 47 Ca -0.15 -3.65 0.00 0.00 0.52 0.00 0.00 54.79 51.51 1iox n ASP 47 Cb 0.57 -0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 40.19 1iox n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iox n LEU 48 N -0.05 0.56 -0.10 -2.67 -0.00 -1.26 -3.96 117.00 109.52 1iox n LEU 48 Ca 0.33 0.24 0.02 0.00 -0.00 0.00 0.00 56.01 56.60 1iox n LEU 48 Cb 0.38 0.14 0.11 0.00 -0.00 0.00 0.00 43.42 44.04 1iox n LEU 48 CO 0.38 0.18 0.57 0.49 -0.00 0.00 0.00 177.39 179.01 1iox n PHE 49 N -2.75 0.07 0.00 1.47 3.72 -1.26 -5.26 117.46 113.44 1iox n PHE 49 Ca -0.13 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1iox n PHE 49 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1iox n PHE 49 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19