#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 0.58 -0.20 -0.14 4.01 -1.26 -5.06 118.16 116.09 1iox n LYS 2 Ca 0.00 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 56.88 1iox n LYS 2 Cb 0.00 -1.14 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1iox n GLY 3 N 0.55 1.72 3.03 0.72 0.00 -1.26 -5.15 105.19 104.80 1iox n GLY 3 Ca 0.05 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1iox n GLY 3 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1iox s HIS 4 N -2.84 -0.18 0.00 1.61 -3.43 -1.26 -5.17 115.29 104.01 1iox s HIS 4 Ca 0.00 0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1iox s HIS 4 Cb 0.00 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.18 1iox s HIS 4 CO 0.00 -0.11 0.00 1.19 -2.00 0.00 0.00 174.74 173.82 1iox n PHE 5 N 4.66 0.00 -3.77 0.38 3.72 -1.26 -4.96 117.46 116.23 1iox n PHE 5 Ca 0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1iox n PHE 5 Cb 0.60 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.03 1iox n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iox s SER 6 N -0.30 -0.33 -0.28 4.37 0.15 -1.23 -5.03 113.70 111.06 1iox s SER 6 Ca 0.00 0.62 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 1iox s SER 6 Cb 0.00 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1iox s SER 6 CO 0.00 -0.12 0.23 -0.13 1.20 0.00 0.00 173.24 174.42 1iox s ARG 7 N 0.14 3.94 0.28 5.44 0.52 -1.26 -1.97 118.95 126.05 1iox s ARG 7 Ca -0.00 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1iox s ARG 7 Cb -0.02 -3.67 -0.13 0.00 0.52 0.00 0.00 34.95 31.66 1iox s ARG 7 CO 0.00 -0.21 1.40 0.00 0.02 0.00 0.00 175.30 176.51 1iox s PRO 9 N -0.93 0.56 0.24 0.00 0.04 -1.26 -4.69 135.00 128.96 1iox s PRO 9 Ca 0.63 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.86 1iox s PRO 9 Cb -0.60 -1.78 0.26 0.00 0.04 0.00 0.00 34.50 32.43 1iox s PRO 9 CO 0.54 -2.58 1.79 -0.22 0.04 0.00 0.00 177.00 176.57 1iox h LYS 10 N -1.77 1.02 0.00 4.56 3.64 -1.95 -0.76 116.57 121.31 1iox h LYS 10 Ca -0.50 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1iox h LYS 10 Cb 1.32 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1iox h LYS 10 CO 0.55 0.88 0.00 0.37 -2.27 0.00 0.00 179.45 178.98 1iox h GLN 11 N 0.98 0.00 -0.02 1.90 -0.00 -2.02 -1.58 115.11 114.38 1iox h GLN 11 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1iox h GLN 11 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.76 1iox h GLN 11 CO -0.01 0.00 -0.12 0.66 0.00 0.00 0.00 178.83 179.36 1iox n TYR 12 N -2.96 0.00 -1.76 3.99 4.01 -0.64 -4.64 117.16 115.16 1iox n TYR 12 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 1iox n TYR 12 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.42 3.65 0.08 -0.72 5.02 -0.39 -4.47 118.16 121.76 1iox n LYS 13 Ca 0.08 -2.95 0.12 0.00 -2.02 0.00 0.00 58.31 53.54 1iox n LYS 13 Cb 0.34 -2.42 0.21 0.00 -0.02 0.00 0.00 35.03 33.14 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 3.92 0.00 -0.14 2.13 3.86 -1.82 -3.15 115.15 119.94 1iox h HIS 14 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1iox h HIS 14 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1iox h HIS 14 CO 1.56 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.83 1iox n TYR 15 N -2.24 0.17 -3.15 2.45 0.18 -1.26 -4.72 117.16 108.59 1iox n TYR 15 Ca 0.04 -0.08 0.04 0.00 1.88 0.00 0.00 57.90 59.77 1iox n TYR 15 Cb 0.45 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.40 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 5.43 0.00 -2.52 0.00 2.08 -0.93 -3.90 119.36 119.52 1iox n ILE 17 Ca 0.01 1.12 -0.41 0.00 0.56 0.00 0.00 62.75 64.03 1iox n ILE 17 Cb 0.52 -2.05 0.01 0.00 -0.75 0.00 0.00 39.64 37.37 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 -1.36 4.82 -3.47 0.38 2.85 -0.94 -4.92 118.16 115.51 1iox n LYS 18 Ca 0.00 -4.21 -0.15 0.00 -1.05 0.00 0.00 58.31 52.91 1iox n LYS 18 Cb 0.00 -2.57 -0.04 0.00 -0.65 0.00 0.00 35.03 31.77 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 -0.76 -0.59 0.54 2.58 0.00 -1.25 -2.25 107.32 105.59 1iox s GLY 19 Ca 0.41 0.84 0.08 0.00 0.00 0.00 0.00 44.72 46.05 1iox s GLY 19 CO -0.05 0.50 0.69 0.54 0.00 0.00 0.00 173.10 174.77 1iox n ARG 20 N 0.20 0.65 -3.68 2.90 1.74 0.14 -4.85 116.66 113.76 1iox n ARG 20 Ca -0.18 -2.98 -0.10 0.00 -0.77 0.00 0.00 57.85 53.83 1iox n ARG 20 Cb 0.61 -0.12 -0.10 0.00 -1.02 0.00 0.00 32.46 31.83 1iox n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iox s ARG 22 N 1.67 2.85 -0.34 0.00 3.52 0.12 -1.88 118.95 124.89 1iox s ARG 22 Ca -0.08 -1.39 -0.14 0.00 -0.13 0.00 0.00 55.73 53.99 1iox s ARG 22 Cb -0.09 -4.01 -0.01 0.00 -1.56 0.00 0.00 34.95 29.27 1iox s ARG 22 CO -0.14 -1.00 0.31 0.12 -0.81 0.00 0.00 175.30 173.78 1iox s PHE 23 N 1.57 3.22 -0.31 5.12 2.19 -0.83 -1.53 117.98 127.41 1iox s PHE 23 Ca 0.04 -0.09 -0.21 0.00 0.33 0.00 0.00 56.93 57.00 1iox s PHE 23 Cb -0.24 -2.59 -0.01 0.00 -1.31 0.00 0.00 43.02 38.87 1iox s PHE 23 CO 0.05 -0.40 0.65 0.08 1.83 0.00 0.00 175.22 177.43 1iox s VAL 24 N 1.90 4.92 -0.05 3.12 1.01 -0.95 -3.49 120.40 126.86 1iox s VAL 24 Ca 0.09 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1iox s VAL 24 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1iox s VAL 24 CO 0.11 -0.16 0.34 0.58 0.00 0.00 0.00 175.10 175.97 1iox h VAL 25 N 5.56 0.00 -0.75 2.92 2.07 -1.93 -2.63 116.25 121.50 1iox h VAL 25 Ca -0.26 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1iox h VAL 25 Cb 1.11 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 1iox h VAL 25 CO 0.81 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.89 1iox h ALA 26 N -1.31 -0.54 -2.75 1.67 0.00 -1.95 -2.99 119.26 111.38 1iox h ALA 26 Ca -0.03 0.08 -0.78 0.00 0.00 0.00 0.00 54.91 54.18 1iox h ALA 26 Cb 0.19 1.27 -0.26 0.00 0.00 0.00 0.00 17.79 18.99 1iox h ALA 26 CO 0.04 -0.88 0.11 -1.21 0.00 0.00 0.00 179.25 177.31 1iox s GLU 27 N -5.22 3.57 -0.72 0.00 2.02 -1.26 -4.97 118.70 112.13 1iox s GLU 27 Ca -0.11 -2.40 -0.09 0.00 0.02 0.00 0.00 54.97 52.39 1iox s GLU 27 Cb 0.09 -4.44 -0.23 0.00 0.10 0.00 0.00 34.13 29.66 1iox s GLU 27 CO 0.54 -1.31 1.61 0.00 0.02 0.00 0.00 175.26 176.13 1iox n GLN 28 N 4.13 0.00 -3.30 1.61 0.00 -1.13 -4.56 117.38 114.13 1iox n GLN 28 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.93 1iox n GLN 28 Cb 0.47 -0.78 -0.08 0.00 0.00 0.00 0.00 30.24 29.84 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1iox s THR 29 N 1.24 -0.15 -0.71 -0.39 2.01 -0.99 -4.99 115.64 111.66 1iox s THR 29 Ca 0.95 -1.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.05 1iox s THR 29 Cb -0.66 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1iox s THR 29 CO 0.40 -0.77 1.52 -2.16 -0.69 0.00 0.00 174.62 172.91 1iox s PRO 30 N 0.84 2.99 -0.05 4.92 0.04 -1.26 -2.24 135.00 140.24 1iox s PRO 30 Ca 0.24 0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.27 1iox s PRO 30 Cb -0.08 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1iox s PRO 30 CO -0.08 -2.40 0.09 0.45 0.04 0.00 0.00 177.00 175.10 1iox s SER 31 N 5.49 5.84 -0.17 6.66 0.15 -0.58 -4.99 113.70 126.10 1iox s SER 31 Ca 0.48 0.25 0.01 0.00 0.70 0.00 0.00 55.95 57.39 1iox s SER 31 Cb -0.09 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1iox s SER 31 CO 0.15 0.33 -0.14 0.00 1.20 0.00 0.00 173.24 174.79 1iox s VAL 33 N 1.43 3.42 0.30 0.00 1.01 0.09 -4.97 120.40 121.68 1iox s VAL 33 Ca 0.03 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1iox s VAL 33 Cb -0.14 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1iox s VAL 33 CO -0.10 0.26 -0.08 0.00 0.00 0.00 0.00 175.10 175.18 1iox n ASP 35 N -0.79 3.12 -0.37 0.00 -0.08 -0.95 -4.79 116.55 112.69 1iox n ASP 35 Ca -0.05 0.82 0.29 0.00 -1.51 0.00 0.00 54.79 54.33 1iox n ASP 35 Cb 0.61 -1.35 0.55 0.00 2.34 0.00 0.00 41.12 43.27 1iox n ASP 35 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1iox h GLU 36 N 10.14 0.21 -1.80 -0.67 4.11 -1.97 0.39 114.58 124.99 1iox h GLU 36 Ca -0.44 -0.01 -0.44 0.00 0.07 0.00 0.00 59.36 58.54 1iox h GLU 36 Cb 1.28 -0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.32 1iox h GLU 36 CO 0.96 0.14 0.40 0.41 0.07 0.00 0.00 179.01 180.99 1iox n GLY 37 N -1.39 4.28 3.55 1.06 0.00 -1.26 -4.90 105.19 106.53 1iox n GLY 37 Ca 0.33 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 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 2.07 -0.09 1.61 1.13 0.14 -2.06 117.35 118.39 1iox s TYR 38 Ca 0.49 -0.93 -0.14 0.00 -1.41 0.00 0.00 57.07 55.08 1iox s TYR 38 Cb 0.34 -1.44 0.03 0.00 -1.10 0.00 0.00 41.96 39.78 1iox s TYR 38 CO -0.14 0.11 0.35 0.42 -2.51 0.00 0.00 175.55 173.78 1iox s ILE 39 N -3.07 0.02 0.00 -3.49 1.01 -0.79 -4.77 121.20 110.12 1iox s ILE 39 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1iox s ILE 39 Cb 0.07 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.14 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1iox n GLY 40 N 2.24 2.72 0.14 6.18 0.00 -1.26 -0.92 105.19 114.30 1iox n GLY 40 Ca -0.16 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.54 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 0.16 -0.58 4.61 0.00 -2.00 -3.33 119.26 118.11 1iox h ALA 41 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1iox h ALA 41 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iox h ALA 41 CO 0.00 1.02 0.00 0.54 0.00 0.00 0.00 179.25 180.81 1iox n ARG 42 N -3.61 3.09 -2.84 0.00 1.74 -1.26 -4.93 116.66 108.84 1iox n ARG 42 Ca -0.25 -2.41 -0.10 0.00 -0.77 0.00 0.00 57.85 54.32 1iox n ARG 42 Cb 1.06 -1.71 0.05 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.88 0.60 -2.20 0.00 2.13 -1.24 -2.21 120.64 114.83 1iox n GLU 44 Ca -0.16 0.14 -0.28 0.00 0.66 0.00 0.00 57.16 57.52 1iox n GLU 44 Cb 0.60 -1.47 0.04 0.00 0.27 0.00 0.00 31.44 30.88 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 -2.47 2.79 0.05 5.31 0.52 -0.09 -4.96 118.95 120.09 1iox s ARG 45 Ca -0.32 0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 1iox s ARG 45 Cb 0.08 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 1iox s ARG 45 CO 0.55 -0.89 0.17 0.54 0.02 0.00 0.00 175.30 175.69 1iox s VAL 46 N -3.15 0.12 -0.37 3.52 0.11 -1.26 -1.88 120.40 117.49 1iox s VAL 46 Ca 0.56 -1.02 0.13 0.00 -2.93 0.00 0.00 61.98 58.72 1iox s VAL 46 Cb -0.11 -1.02 0.37 0.00 -1.53 0.00 0.00 36.38 34.09 1iox s VAL 46 CO 0.47 -0.56 0.78 -0.67 -3.33 0.00 0.00 175.10 171.79 1iox n ASP 47 N 0.51 1.10 -2.69 3.54 2.03 -0.87 -4.82 116.55 115.36 1iox n ASP 47 Ca -0.18 -3.00 -0.04 0.00 0.52 0.00 0.00 54.79 52.10 1iox n ASP 47 Cb 0.60 -0.60 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1iox n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1iox n LEU 48 N 0.20 -1.42 0.00 -2.67 7.94 -1.26 -4.87 117.00 114.91 1iox n LEU 48 Ca 0.23 -3.30 0.00 0.00 -1.11 0.00 0.00 56.01 51.83 1iox n LEU 48 Cb 0.67 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.72 1iox n LEU 48 CO 0.23 1.74 0.00 0.49 -1.11 0.00 0.00 177.39 178.74 1iox n PHE 49 N -1.19 0.00 0.00 1.96 3.01 -1.26 -5.18 117.46 114.80 1iox n PHE 49 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1iox n PHE 49 Cb 0.87 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 1iox n PHE 49 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25