#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 -4.37 -2.75 5.56 4.81 -1.26 -5.03 118.16 115.12 1iox n LYS 2 Ca 0.00 3.17 -0.06 0.00 -0.87 0.00 0.00 58.31 60.55 1iox n LYS 2 Cb 0.00 -3.38 0.03 0.00 0.02 0.00 0.00 35.03 31.71 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 1.05 -0.29 2.38 3.14 0.00 -1.26 -5.02 105.19 105.18 1iox n GLY 3 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1iox n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iox n HIS 4 N 2.23 1.80 -2.05 1.61 -0.00 -1.26 -4.84 115.22 112.71 1iox n HIS 4 Ca 0.13 -2.35 0.00 0.00 -0.00 0.00 0.00 57.72 55.50 1iox n HIS 4 Cb 0.60 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.84 1iox n HIS 4 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1iox n PHE 5 N 1.86 0.00 -3.68 1.57 3.72 -1.26 -4.97 117.46 114.70 1iox n PHE 5 Ca 0.57 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.80 1iox n PHE 5 Cb 0.46 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.48 0.69 0.15 4.37 0.01 -1.24 -5.04 113.70 114.13 1iox s SER 6 Ca 0.00 0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 1iox s SER 6 Cb 0.00 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1iox s SER 6 CO 0.00 -0.23 0.89 -0.13 0.41 0.00 0.00 173.24 174.18 1iox s ARG 7 N 2.10 4.70 0.26 12.44 0.52 -1.26 -1.77 118.95 135.93 1iox s ARG 7 Ca 0.02 1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 56.29 1iox s ARG 7 Cb -0.12 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 31.93 1iox s ARG 7 CO -0.05 0.38 1.35 0.00 0.02 0.00 0.00 175.30 177.00 1iox s PRO 9 N -0.73 2.30 0.34 0.00 0.04 -1.26 -4.78 135.00 130.91 1iox s PRO 9 Ca 0.55 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1iox s PRO 9 Cb -0.39 -1.92 0.61 0.00 0.04 0.00 0.00 34.50 32.84 1iox s PRO 9 CO 0.44 -1.54 1.79 -0.22 0.04 0.00 0.00 177.00 177.51 1iox h LYS 10 N -1.04 0.16 0.00 4.56 3.64 -1.94 -1.63 116.57 120.32 1iox h LYS 10 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1iox h LYS 10 Cb 1.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1iox h LYS 10 CO 0.56 0.48 0.00 1.04 -2.27 0.00 0.00 179.45 179.26 1iox n GLN 11 N -4.10 0.03 0.00 1.90 6.02 -1.26 -1.91 117.38 118.05 1iox n GLN 11 Ca -0.01 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 1iox n GLN 11 Cb 0.41 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1iox n TYR 12 N -1.63 0.00 -1.82 1.08 4.01 -0.82 -4.82 117.16 113.15 1iox n TYR 12 Ca 0.01 -0.10 -0.36 0.00 -0.16 0.00 0.00 57.90 57.30 1iox n TYR 12 Cb 0.07 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.10 3.94 0.04 -0.72 5.02 -0.68 -4.49 118.16 121.17 1iox n LYS 13 Ca 0.00 -3.09 0.12 0.00 -2.02 0.00 0.00 58.31 53.33 1iox n LYS 13 Cb 0.15 -2.49 0.30 0.00 -0.02 0.00 0.00 35.03 32.97 1iox n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1iox n HIS 14 N 1.53 0.36 1.41 2.13 8.25 -1.26 -3.17 115.22 124.47 1iox n HIS 14 Ca 0.59 0.10 0.14 0.00 -0.26 0.00 0.00 57.72 58.29 1iox n HIS 14 Cb 0.34 -0.55 0.47 0.00 1.12 0.00 0.00 29.99 31.37 1iox n HIS 14 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1iox n TYR 15 N -1.86 0.00 -3.15 4.41 0.18 -1.26 -4.72 117.16 110.76 1iox n TYR 15 Ca 0.05 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.87 1iox n TYR 15 Cb 0.39 -0.04 -0.00 0.00 -0.38 0.00 0.00 39.34 39.31 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 5.42 0.00 -1.66 0.00 2.08 -0.83 -3.89 119.36 120.48 1iox n ILE 17 Ca 0.02 0.92 -0.31 0.00 0.56 0.00 0.00 62.75 63.94 1iox n ILE 17 Cb 0.53 -1.81 -0.04 0.00 -0.75 0.00 0.00 39.64 37.56 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 -1.66 3.05 -3.72 0.38 2.85 -0.93 -4.86 118.16 113.29 1iox n LYS 18 Ca 0.00 -2.73 -0.12 0.00 -1.05 0.00 0.00 58.31 54.41 1iox n LYS 18 Cb 0.00 -2.28 -0.10 0.00 -0.65 0.00 0.00 35.03 32.00 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 0.26 -0.31 -0.23 2.58 0.00 -1.25 -2.24 107.32 106.13 1iox s GLY 19 Ca 0.57 1.31 -0.11 0.00 0.00 0.00 0.00 44.72 46.49 1iox s GLY 19 CO -0.20 1.28 0.17 0.50 0.00 0.00 0.00 173.10 174.85 1iox s ARG 20 N 0.70 4.10 -0.21 2.90 0.52 0.64 -4.81 118.95 122.80 1iox s ARG 20 Ca -0.04 -0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 1iox s ARG 20 Cb -0.05 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1iox s ARG 20 CO -0.05 0.10 0.05 0.00 0.02 0.00 0.00 175.30 175.42 1iox s ARG 22 N 0.89 3.44 -0.52 0.00 6.06 0.71 -1.87 118.95 127.67 1iox s ARG 22 Ca 0.03 -0.23 -0.19 0.00 -2.50 0.00 0.00 55.73 52.84 1iox s ARG 22 Cb -0.14 -3.89 0.07 0.00 0.06 0.00 0.00 34.95 31.05 1iox s ARG 22 CO 0.02 -0.87 0.62 0.12 -2.50 0.00 0.00 175.30 172.70 1iox s PHE 23 N 2.69 3.06 -0.35 5.12 2.19 -0.73 -2.12 117.98 127.84 1iox s PHE 23 Ca 0.22 -0.63 -0.29 0.00 0.33 0.00 0.00 56.93 56.57 1iox s PHE 23 Cb -0.15 -3.57 0.02 0.00 -1.31 0.00 0.00 43.02 38.01 1iox s PHE 23 CO 0.17 -1.05 1.07 0.08 1.83 0.00 0.00 175.22 177.31 1iox s VAL 24 N 2.55 4.47 -0.07 3.12 1.01 -0.97 -3.71 120.40 126.81 1iox s VAL 24 Ca 0.14 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 1iox s VAL 24 Cb -0.20 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1iox s VAL 24 CO 0.11 -0.57 0.14 0.58 0.00 0.00 0.00 175.10 175.35 1iox h VAL 25 N 5.83 0.00 -0.94 2.92 2.07 -1.93 -2.47 116.25 121.73 1iox h VAL 25 Ca -0.21 -0.72 0.28 0.00 0.82 0.00 0.00 66.70 66.87 1iox h VAL 25 Cb 1.06 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.67 1iox h VAL 25 CO 1.04 0.00 0.18 0.00 0.02 0.00 0.00 177.57 178.82 1iox h ALA 26 N -1.24 1.35 -3.26 1.67 0.00 -1.94 -2.92 119.26 112.92 1iox h ALA 26 Ca -0.01 0.28 -0.68 0.00 0.00 0.00 0.00 54.91 54.51 1iox h ALA 26 Cb 0.08 0.44 -0.37 0.00 0.00 0.00 0.00 17.79 17.93 1iox h ALA 26 CO 0.02 -0.58 -0.47 -1.21 0.00 0.00 0.00 179.25 177.01 1iox s GLU 27 N -5.91 2.33 -0.75 0.00 2.02 -1.25 -5.01 118.70 110.13 1iox s GLU 27 Ca -0.12 -2.56 -0.08 0.00 0.02 0.00 0.00 54.97 52.23 1iox s GLU 27 Cb 0.28 -3.57 -0.25 0.00 0.10 0.00 0.00 34.13 30.69 1iox s GLU 27 CO 0.78 -1.15 1.65 1.04 0.02 0.00 0.00 175.26 177.60 1iox n GLN 28 N 3.36 0.00 -3.16 1.61 1.13 -1.10 -4.49 117.38 114.73 1iox n GLN 28 Ca 0.07 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 1iox n GLN 28 Cb 0.36 -0.78 -0.05 0.00 0.11 0.00 0.00 30.24 29.88 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1iox s THR 29 N 0.56 -0.39 -0.73 5.09 2.01 -0.94 -4.99 115.64 116.25 1iox s THR 29 Ca 0.99 -1.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 1iox s THR 29 Cb -0.66 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.30 1iox s THR 29 CO 0.42 -0.56 1.25 -2.16 -0.69 0.00 0.00 174.62 172.89 1iox s PRO 30 N 0.83 3.19 -0.12 4.92 0.04 -1.26 -2.30 135.00 140.29 1iox s PRO 30 Ca 0.26 -0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.01 1iox s PRO 30 Cb -0.03 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 1iox s PRO 30 CO -0.09 -2.11 -0.10 -1.54 0.04 0.00 0.00 177.00 173.20 1iox s SER 31 N 3.72 4.33 -0.16 6.66 1.04 -0.90 -4.99 113.70 123.40 1iox s SER 31 Ca 0.34 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 1iox s SER 31 Cb -0.09 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1iox s SER 31 CO 0.15 0.22 0.04 0.00 0.98 0.00 0.00 173.24 174.63 1iox s VAL 33 N 0.17 1.71 0.28 0.00 1.01 -0.49 -4.93 120.40 118.15 1iox s VAL 33 Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1iox s VAL 33 Cb -0.13 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1iox s VAL 33 CO 0.01 0.31 0.51 0.00 0.00 0.00 0.00 175.10 175.93 1iox n ASP 35 N -1.10 2.46 -0.33 0.00 9.92 -0.95 -4.79 116.55 121.76 1iox n ASP 35 Ca -0.03 1.07 0.21 0.00 -0.53 0.00 0.00 54.79 55.51 1iox n ASP 35 Cb 0.54 -1.23 0.43 0.00 -0.64 0.00 0.00 41.12 40.22 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1iox h GLU 36 N 6.67 0.34 -1.81 -1.24 5.08 -1.94 0.29 114.58 121.97 1iox h GLU 36 Ca -0.47 -0.02 -0.43 0.00 -1.00 0.00 0.00 59.36 57.44 1iox h GLU 36 Cb 1.31 -0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 1iox h GLU 36 CO 0.90 0.22 0.39 0.41 -1.00 0.00 0.00 179.01 179.93 1iox n GLY 37 N -1.31 4.26 3.55 -3.84 0.00 -1.26 -4.91 105.19 101.68 1iox n GLY 37 Ca 0.29 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.72 2.38 0.00 1.61 1.13 0.10 -1.58 117.35 119.27 1iox s TYR 38 Ca 0.49 -0.58 -0.10 0.00 -1.41 0.00 0.00 57.07 55.47 1iox s TYR 38 Cb 0.34 -1.47 0.01 0.00 -1.10 0.00 0.00 41.96 39.73 1iox s TYR 38 CO -0.14 0.50 0.20 0.42 -2.51 0.00 0.00 175.55 174.02 1iox s ILE 39 N -2.70 0.08 0.00 -3.49 1.01 -0.70 -4.84 121.20 110.56 1iox s ILE 39 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1iox s ILE 39 Cb 0.05 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.16 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1iox n GLY 40 N 1.31 3.05 0.16 6.18 0.00 -1.26 -1.34 105.19 113.29 1iox n GLY 40 Ca -0.22 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 1.00 -0.16 4.61 0.00 -2.00 -2.75 119.26 119.96 1iox h ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iox h ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iox h ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1iox n ARG 42 N -2.45 1.73 -2.98 0.00 5.12 -1.26 -4.96 116.66 111.85 1iox n ARG 42 Ca 0.02 -1.53 -0.12 0.00 -1.93 0.00 0.00 57.85 54.29 1iox n ARG 42 Cb 0.28 -1.19 0.05 0.00 -1.16 0.00 0.00 32.46 30.44 1iox n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iox n GLU 44 N -2.97 0.82 -3.05 0.00 2.13 -1.22 -2.18 120.64 114.17 1iox n GLU 44 Ca -0.09 0.04 -0.32 0.00 0.66 0.00 0.00 57.16 57.46 1iox n GLU 44 Cb 0.57 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.75 1iox n GLU 44 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1iox s ARG 45 N -2.46 3.92 0.03 5.31 6.06 -0.45 -4.98 118.95 126.37 1iox s ARG 45 Ca -0.17 0.59 0.05 0.00 -2.50 0.00 0.00 55.73 53.69 1iox s ARG 45 Cb 0.07 -2.42 -0.02 0.00 0.06 0.00 0.00 34.95 32.63 1iox s ARG 45 CO 0.69 0.09 -0.15 0.54 -2.50 0.00 0.00 175.30 173.98 1iox s VAL 46 N -2.12 1.15 -0.42 7.11 0.11 -1.26 -1.71 120.40 123.25 1iox s VAL 46 Ca 0.53 -0.93 0.10 0.00 -2.93 0.00 0.00 61.98 58.75 1iox s VAL 46 Cb -0.10 -1.02 0.39 0.00 -1.53 0.00 0.00 36.38 34.12 1iox s VAL 46 CO 0.22 0.08 0.92 -0.67 -3.33 0.00 0.00 175.10 172.33 1iox n ASP 47 N 2.06 2.74 -3.96 3.54 2.03 -0.62 -4.89 116.55 117.45 1iox n ASP 47 Ca -0.17 -3.26 -0.18 0.00 0.52 0.00 0.00 54.79 51.70 1iox n ASP 47 Cb 0.55 -0.55 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 1iox n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iox s LEU 48 N -3.11 1.77 -0.22 -2.67 1.43 -1.26 -4.86 118.68 109.76 1iox s LEU 48 Ca 0.41 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1iox s LEU 48 Cb 0.37 -0.42 0.31 0.00 0.03 0.00 0.00 46.19 46.49 1iox s LEU 48 CO -0.09 0.04 1.46 0.49 0.23 0.00 0.00 176.35 178.48 1iox n PHE 49 N 3.32 1.46 0.00 0.29 3.72 -1.26 -5.21 117.46 119.78 1iox n PHE 49 Ca -0.18 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 1iox n PHE 49 Cb 0.55 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1iox n PHE 49 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19