#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 2.04 0.00 5.56 5.02 -1.26 -4.49 118.16 125.04 1iox n LYS 2 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1iox n LYS 2 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1iox n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iox n GLY 3 N 1.61 2.29 2.85 0.72 0.00 -1.26 -4.97 105.19 106.43 1iox n GLY 3 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 13.29 -3.49 -0.91 1.61 -0.00 -1.26 -5.03 115.22 119.44 1iox n HIS 4 Ca 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 57.72 59.20 1iox n HIS 4 Cb 0.00 -3.75 0.00 0.00 -0.00 0.00 0.00 29.99 26.24 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 0.27 0.00 -4.49 1.57 3.72 -1.26 -5.08 117.46 112.19 1iox n PHE 5 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1iox n PHE 5 Cb 0.26 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.46 -0.05 4.37 0.01 -1.26 -5.01 113.70 112.22 1iox s SER 6 Ca 0.00 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 56.84 1iox s SER 6 Cb 0.00 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 1iox s SER 6 CO 0.00 0.07 0.53 -0.13 0.41 0.00 0.00 173.24 174.12 1iox s ARG 7 N 0.26 4.28 0.56 12.44 0.52 -1.26 -2.01 118.95 133.73 1iox s ARG 7 Ca -0.05 0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 55.56 1iox s ARG 7 Cb -0.10 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 1iox s ARG 7 CO 0.01 0.31 1.06 0.00 0.02 0.00 0.00 175.30 176.70 1iox s PRO 9 N -3.74 2.82 0.42 0.00 0.04 -1.26 -4.65 135.00 128.63 1iox s PRO 9 Ca 0.66 1.13 0.20 0.00 0.04 0.00 0.00 61.00 63.03 1iox s PRO 9 Cb -0.17 -1.97 0.93 0.00 0.04 0.00 0.00 34.50 33.34 1iox s PRO 9 CO 0.31 -1.21 1.87 -0.22 0.04 0.00 0.00 177.00 177.79 1iox h LYS 10 N -0.46 0.00 0.00 4.56 3.64 -1.95 -2.28 116.57 120.08 1iox h LYS 10 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1iox h LYS 10 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1iox h LYS 10 CO 0.55 0.29 0.00 0.94 -2.27 0.00 0.00 179.45 178.96 1iox n GLN 11 N -3.73 0.17 0.00 1.90 -0.06 -1.26 -2.13 117.38 112.28 1iox n GLN 11 Ca -0.01 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1iox n GLN 11 Cb 0.39 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.07 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 -1.31 0.00 -2.24 3.69 4.01 -0.86 -4.87 117.16 115.57 1iox n TYR 12 Ca 0.06 -0.25 -0.43 0.00 -0.16 0.00 0.00 57.90 57.13 1iox n TYR 12 Cb 0.11 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1iox n TYR 12 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1iox n LYS 13 N -0.25 3.10 0.08 -0.72 3.00 -0.90 -4.63 118.16 117.85 1iox n LYS 13 Ca 0.00 -3.07 0.01 0.00 -0.00 0.00 0.00 58.31 55.25 1iox n LYS 13 Cb 0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 35.03 31.79 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1iox h HIS 14 N 6.75 0.00 -0.13 5.64 3.86 -1.89 -3.16 115.15 126.23 1iox h HIS 14 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1iox h HIS 14 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1iox h HIS 14 CO 1.40 0.54 0.00 2.48 0.86 0.00 0.00 177.93 183.22 1iox n TYR 15 N -3.05 0.16 -3.62 2.45 0.18 -1.26 -4.79 117.16 107.23 1iox n TYR 15 Ca -0.04 -0.08 -0.01 0.00 1.88 0.00 0.00 57.90 59.66 1iox n TYR 15 Cb 0.79 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.71 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 5.41 0.00 -2.95 0.00 2.08 -0.90 -4.37 119.36 118.63 1iox n ILE 17 Ca -0.12 0.66 -0.43 0.00 0.56 0.00 0.00 62.75 63.43 1iox n ILE 17 Cb 0.49 -1.56 0.01 0.00 -0.75 0.00 0.00 39.64 37.84 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 -1.81 4.61 -3.62 0.38 2.85 -0.96 -4.94 118.16 114.68 1iox n LYS 18 Ca 0.00 -4.57 -0.14 0.00 -1.05 0.00 0.00 58.31 52.55 1iox n LYS 18 Cb 0.00 -2.51 -0.07 0.00 -0.65 0.00 0.00 35.03 31.80 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 -1.75 -0.54 0.01 2.58 0.00 -1.26 -2.24 107.32 104.12 1iox s GLY 19 Ca 0.32 1.94 -0.09 0.00 0.00 0.00 0.00 44.72 46.89 1iox s GLY 19 CO 0.08 1.65 0.31 1.09 0.00 0.00 0.00 173.10 176.23 1iox s ARG 20 N 0.18 3.66 -0.12 2.90 1.70 0.14 -4.86 118.95 122.55 1iox s ARG 20 Ca -0.01 0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.32 1iox s ARG 20 Cb -0.04 -3.09 0.01 0.00 -0.57 0.00 0.00 34.95 31.26 1iox s ARG 20 CO 0.02 0.65 -0.18 0.00 -1.08 0.00 0.00 175.30 174.71 1iox s ARG 22 N 0.92 3.84 -0.37 0.00 3.00 0.12 -1.85 118.95 124.61 1iox s ARG 22 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 55.73 55.51 1iox s ARG 22 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 34.95 31.08 1iox s ARG 22 CO -0.02 -0.44 0.25 0.12 0.00 0.00 0.00 175.30 175.21 1iox s PHE 23 N 2.22 3.23 -0.26 -0.53 2.19 -0.85 -1.52 117.98 122.47 1iox s PHE 23 Ca 0.17 -0.48 -0.24 0.00 0.33 0.00 0.00 56.93 56.71 1iox s PHE 23 Cb -0.16 -2.50 -0.00 0.00 -1.31 0.00 0.00 43.02 39.04 1iox s PHE 23 CO 0.11 -0.49 0.81 0.08 1.83 0.00 0.00 175.22 177.56 1iox s VAL 24 N 1.68 4.83 -0.02 3.12 1.01 -0.94 -3.98 120.40 126.10 1iox s VAL 24 Ca 0.05 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1iox s VAL 24 Cb -0.18 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1iox s VAL 24 CO 0.09 -0.10 0.15 0.58 0.00 0.00 0.00 175.10 175.82 1iox h VAL 25 N 5.46 0.00 -0.95 2.92 2.07 -1.97 -2.52 116.25 121.27 1iox h VAL 25 Ca -0.23 -0.23 0.26 0.00 0.82 0.00 0.00 66.70 67.32 1iox h VAL 25 Cb 1.09 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.69 1iox h VAL 25 CO 0.87 0.00 0.09 0.00 0.02 0.00 0.00 177.57 178.54 1iox h ALA 26 N -1.75 1.20 -3.09 1.67 0.00 -2.02 -2.73 119.26 112.55 1iox h ALA 26 Ca -0.00 0.31 -0.69 0.00 0.00 0.00 0.00 54.91 54.52 1iox h ALA 26 Cb 0.04 0.52 -0.36 0.00 0.00 0.00 0.00 17.79 17.99 1iox h ALA 26 CO 0.01 -0.56 -0.30 -2.00 0.00 0.00 0.00 179.25 176.39 1iox s GLU 27 N -5.98 2.75 -0.74 0.00 2.12 -1.25 -5.01 118.70 110.59 1iox s GLU 27 Ca -0.13 -2.80 -0.09 0.00 0.36 0.00 0.00 54.97 52.31 1iox s GLU 27 Cb 0.28 -3.77 -0.24 0.00 0.26 0.00 0.00 34.13 30.66 1iox s GLU 27 CO 0.78 -1.21 1.67 0.00 -0.54 0.00 0.00 175.26 175.96 1iox n GLN 28 N 3.05 0.00 -3.33 4.30 -0.00 -1.03 -4.45 117.38 115.92 1iox n GLN 28 Ca 0.12 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.91 1iox n GLN 28 Cb 0.37 -0.81 -0.08 0.00 -0.00 0.00 0.00 30.24 29.72 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 1.12 -0.09 -1.14 -0.39 2.01 -0.96 -4.97 115.64 111.23 1iox s THR 29 Ca 0.99 -1.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 1iox s THR 29 Cb -0.68 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1iox s THR 29 CO 0.41 -0.82 1.73 -2.16 -0.69 0.00 0.00 174.62 173.09 1iox s PRO 30 N 0.84 3.36 -0.13 4.92 0.04 -1.26 -2.21 135.00 140.56 1iox s PRO 30 Ca 0.24 -1.32 -0.20 0.00 0.04 0.00 0.00 61.00 59.76 1iox s PRO 30 Cb -0.09 -5.36 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 1iox s PRO 30 CO -0.07 -2.76 0.56 -1.12 0.04 0.00 0.00 177.00 173.64 1iox s SER 31 N 5.48 6.75 -0.54 6.66 0.01 -0.57 -4.96 113.70 126.52 1iox s SER 31 Ca 0.57 0.90 -0.08 0.00 1.31 0.00 0.00 55.95 58.64 1iox s SER 31 Cb 0.00 -2.33 0.14 0.00 0.21 0.00 0.00 66.02 64.04 1iox s SER 31 CO 0.03 -0.09 0.41 0.00 0.41 0.00 0.00 173.24 174.00 1iox s VAL 33 N 0.95 4.99 0.45 0.00 1.01 0.15 -4.90 120.40 123.04 1iox s VAL 33 Ca 0.09 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 1iox s VAL 33 Cb -0.23 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1iox s VAL 33 CO -0.02 0.05 0.77 0.00 0.00 0.00 0.00 175.10 175.90 1iox n ASP 35 N -1.83 2.40 -0.33 0.00 9.92 -0.95 -4.77 116.55 120.99 1iox n ASP 35 Ca 0.01 0.96 0.19 0.00 -0.53 0.00 0.00 54.79 55.43 1iox n ASP 35 Cb 0.55 -1.17 0.40 0.00 -0.64 0.00 0.00 41.12 40.26 1iox n ASP 35 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1iox h GLU 36 N 8.18 0.34 -1.65 -1.24 4.81 -1.92 0.38 114.58 123.47 1iox h GLU 36 Ca -0.43 -0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 58.40 1iox h GLU 36 Cb 1.32 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.47 1iox h GLU 36 CO 0.97 0.23 0.41 0.41 -0.73 0.00 0.00 179.01 180.30 1iox n GLY 37 N -1.32 4.20 3.72 1.92 0.00 -1.26 -4.90 105.19 107.55 1iox n GLY 37 Ca 0.28 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.79 2.02 -0.14 1.61 1.13 0.13 -2.10 117.35 118.21 1iox s TYR 38 Ca 0.41 -0.90 -0.11 0.00 -1.41 0.00 0.00 57.07 55.05 1iox s TYR 38 Cb 0.29 -1.63 0.04 0.00 -1.10 0.00 0.00 41.96 39.56 1iox s TYR 38 CO -0.07 0.26 0.37 0.42 -2.51 0.00 0.00 175.55 174.03 1iox s ILE 39 N -2.85 -0.01 0.00 -3.49 1.01 -0.67 -4.78 121.20 110.41 1iox s ILE 39 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1iox s ILE 39 Cb 0.04 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1iox s ILE 39 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1iox n GLY 40 N 3.30 3.10 0.13 6.18 0.00 -1.26 -1.01 105.19 115.63 1iox n GLY 40 Ca -0.16 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 0.24 -0.60 4.61 0.00 -2.00 -3.33 119.26 118.17 1iox h ALA 41 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1iox h ALA 41 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1iox h ALA 41 CO 0.00 1.11 0.00 0.54 0.00 0.00 0.00 179.25 180.90 1iox n ARG 42 N -3.52 4.29 -3.32 0.00 3.00 -1.26 -4.92 116.66 110.94 1iox n ARG 42 Ca -0.23 -2.96 -0.18 0.00 -0.01 0.00 0.00 57.85 54.48 1iox n ARG 42 Cb 1.06 -2.08 0.07 0.00 0.00 0.00 0.00 32.46 31.51 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 -3.97 0.67 -3.47 0.00 2.13 -1.26 -2.26 120.64 112.48 1iox n GLU 44 Ca -0.08 0.20 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 1iox n GLU 44 Cb 0.58 -1.68 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 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 -2.56 3.50 -0.01 5.31 6.06 -0.18 -4.98 118.95 126.09 1iox s ARG 45 Ca -0.12 -0.35 -0.11 0.00 -2.50 0.00 0.00 55.73 52.65 1iox s ARG 45 Cb 0.07 -2.71 0.01 0.00 0.06 0.00 0.00 34.95 32.39 1iox s ARG 45 CO 0.80 0.21 0.23 0.54 -2.50 0.00 0.00 175.30 174.58 1iox s VAL 46 N -2.21 0.07 -0.39 7.11 0.11 -1.26 -1.67 120.40 122.16 1iox s VAL 46 Ca 0.39 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1iox s VAL 46 Cb -0.10 -0.53 0.44 0.00 -1.53 0.00 0.00 36.38 34.66 1iox s VAL 46 CO 0.34 -0.30 1.10 -0.67 -3.33 0.00 0.00 175.10 172.23 1iox n ASP 47 N 1.41 4.08 0.00 3.54 2.03 -0.89 -4.71 116.55 122.02 1iox n ASP 47 Ca -0.22 -3.49 0.00 0.00 0.52 0.00 0.00 54.79 51.60 1iox n ASP 47 Cb 0.56 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.45 0.00 -0.02 -2.67 7.94 -1.26 -4.89 117.00 115.64 1iox n LEU 48 Ca 0.34 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 55.08 1iox n LEU 48 Cb 0.74 -0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.58 1iox n LEU 48 CO 0.32 -0.41 0.39 -0.26 -1.11 0.00 0.00 177.39 176.32 1iox h PHE 49 N 0.00 0.32 0.00 1.96 -1.00 -1.96 -3.55 116.94 112.71 1iox h PHE 49 Ca 0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.62 1iox h PHE 49 Cb 0.00 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1iox h PHE 49 CO 0.00 0.95 0.00 0.98 -1.61 0.00 0.00 178.31 178.63