#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 -0.67 -3.90 5.56 5.02 -1.26 -4.67 118.16 118.24 1iox n LYS 2 Ca 0.00 0.44 -0.30 0.00 -2.02 0.00 0.00 58.31 56.43 1iox n LYS 2 Cb 0.00 -0.82 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 1iox n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iox s GLY 3 N -3.67 1.26 -0.41 0.72 0.00 -1.26 -5.02 107.32 98.94 1iox s GLY 3 Ca 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 44.72 43.40 1iox s GLY 3 CO 0.00 1.05 0.65 1.42 0.00 0.00 0.00 173.10 176.22 1iox n HIS 4 N 4.70 0.45 -1.76 1.90 8.25 -1.26 -5.09 115.22 122.41 1iox n HIS 4 Ca -0.09 -3.74 0.00 0.00 -0.26 0.00 0.00 57.72 53.63 1iox n HIS 4 Cb 0.44 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.81 0.00 -3.95 4.41 3.72 -1.26 -4.96 117.46 116.23 1iox n PHE 5 Ca 0.24 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 1iox n PHE 5 Cb 0.56 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.31 1.38 -0.06 4.37 0.01 -1.18 -5.00 113.70 113.53 1iox s SER 6 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.87 1iox s SER 6 Cb 0.00 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1iox s SER 6 CO 0.00 -0.13 0.86 -0.13 0.41 0.00 0.00 173.24 174.25 1iox s ARG 7 N 1.50 4.47 0.18 12.44 3.00 -1.26 -1.48 118.95 137.79 1iox s ARG 7 Ca -0.02 1.16 -0.30 0.00 0.00 0.00 0.00 55.73 56.57 1iox s ARG 7 Cb -0.13 -3.48 -0.08 0.00 0.00 0.00 0.00 34.95 31.26 1iox s ARG 7 CO -0.03 -0.07 1.18 0.00 0.00 0.00 0.00 175.30 176.38 1iox s PRO 9 N -0.22 2.81 0.47 0.00 0.04 -1.26 -4.71 135.00 132.13 1iox s PRO 9 Ca 0.52 1.06 0.14 0.00 0.04 0.00 0.00 61.00 62.76 1iox s PRO 9 Cb -0.32 -1.97 1.11 0.00 0.04 0.00 0.00 34.50 33.36 1iox s PRO 9 CO 0.36 -1.21 2.07 1.57 0.04 0.00 0.00 177.00 179.83 1iox h LYS 10 N -0.64 0.25 -0.35 4.56 2.10 -1.95 -0.65 116.57 119.89 1iox h LYS 10 Ca -0.44 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 1iox h LYS 10 Cb 1.22 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1iox h LYS 10 CO 0.55 0.16 0.14 1.96 -2.00 0.00 0.00 179.45 180.27 1iox h GLN 11 N 0.25 0.49 -0.02 0.07 1.08 -2.01 -1.71 115.11 113.26 1iox h GLN 11 Ca 0.14 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1iox h GLN 11 Cb 0.23 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1iox h GLN 11 CO -0.03 0.41 -0.20 0.66 -0.95 0.00 0.00 178.83 178.72 1iox n TYR 12 N -4.40 0.00 -1.75 2.96 4.01 -0.37 -4.49 117.16 113.13 1iox n TYR 12 Ca 0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.42 1iox n TYR 12 Cb 0.14 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.38 3.60 0.09 -0.72 4.01 -0.50 -4.47 118.16 120.55 1iox n LYS 13 Ca 0.13 -2.91 0.12 0.00 -0.51 0.00 0.00 58.31 55.14 1iox n LYS 13 Cb 0.48 -2.41 0.18 0.00 -0.51 0.00 0.00 35.03 32.76 1iox n LYS 13 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1iox h HIS 14 N 3.89 0.00 -0.11 2.13 3.86 -1.79 -3.15 115.15 119.98 1iox h HIS 14 Ca 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 1iox h HIS 14 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 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 -2.36 0.13 -3.32 2.45 0.18 -1.26 -4.74 117.16 108.25 1iox n TYR 15 Ca 0.03 -0.07 -0.03 0.00 1.88 0.00 0.00 57.90 59.72 1iox n TYR 15 Cb 0.47 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.38 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 5.40 0.00 -1.84 0.00 2.08 -0.95 -4.28 119.36 119.77 1iox n ILE 17 Ca -0.04 0.41 -0.36 0.00 0.56 0.00 0.00 62.75 63.31 1iox n ILE 17 Cb 0.50 -1.06 -0.02 0.00 -0.75 0.00 0.00 39.64 38.31 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 -1.42 4.02 -3.48 0.38 2.85 -0.94 -4.88 118.16 114.69 1iox n LYS 18 Ca 0.00 -3.13 -0.14 0.00 -1.05 0.00 0.00 58.31 53.99 1iox n LYS 18 Cb 0.00 -2.51 -0.04 0.00 -0.65 0.00 0.00 35.03 31.83 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 0.44 -0.58 -0.05 2.58 0.00 -1.26 -2.13 107.32 106.32 1iox s GLY 19 Ca 0.56 0.80 0.02 0.00 0.00 0.00 0.00 44.72 46.10 1iox s GLY 19 CO -0.12 0.46 -0.10 0.50 0.00 0.00 0.00 173.10 173.84 1iox s ARG 20 N -2.66 2.63 -0.18 2.90 0.52 0.17 -4.89 118.95 117.44 1iox s ARG 20 Ca -0.04 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1iox s ARG 20 Cb -0.01 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 1iox s ARG 20 CO -0.03 0.64 -0.13 0.00 0.02 0.00 0.00 175.30 175.80 1iox s ARG 22 N 1.05 3.12 -0.39 0.00 6.06 0.11 -1.80 118.95 127.09 1iox s ARG 22 Ca -0.01 -0.80 -0.21 0.00 -2.50 0.00 0.00 55.73 52.22 1iox s ARG 22 Cb -0.15 -4.02 0.01 0.00 0.06 0.00 0.00 34.95 30.86 1iox s ARG 22 CO -0.03 -1.00 0.65 0.12 -2.50 0.00 0.00 175.30 172.54 1iox s PHE 23 N 2.33 3.11 -0.38 5.12 2.19 -0.55 -1.67 117.98 128.12 1iox s PHE 23 Ca 0.14 0.19 -0.27 0.00 0.33 0.00 0.00 56.93 57.31 1iox s PHE 23 Cb -0.18 -3.24 0.02 0.00 -1.31 0.00 0.00 43.02 38.31 1iox s PHE 23 CO 0.13 -0.74 1.01 0.08 1.83 0.00 0.00 175.22 177.54 1iox s VAL 24 N 2.78 4.47 -0.04 3.12 1.01 -0.93 -3.13 120.40 127.69 1iox s VAL 24 Ca 0.24 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 1iox s VAL 24 Cb -0.14 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1iox s VAL 24 CO 0.17 -0.64 0.26 0.58 0.00 0.00 0.00 175.10 175.47 1iox h VAL 25 N 5.90 0.00 -0.93 2.92 2.07 -1.93 -2.60 116.25 121.69 1iox h VAL 25 Ca -0.22 -0.46 0.17 0.00 0.82 0.00 0.00 66.70 67.00 1iox h VAL 25 Cb 1.07 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.67 1iox h VAL 25 CO 1.03 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 178.32 1iox h ALA 26 N -1.46 0.39 -3.01 1.67 0.00 -1.94 -2.99 119.26 111.92 1iox h ALA 26 Ca -0.02 0.32 -0.72 0.00 0.00 0.00 0.00 54.91 54.49 1iox h ALA 26 Cb 0.12 0.83 -0.32 0.00 0.00 0.00 0.00 17.79 18.41 1iox h ALA 26 CO 0.03 -0.50 -0.28 -2.00 0.00 0.00 0.00 179.25 176.50 1iox s GLU 27 N -6.12 2.74 -0.78 0.00 2.12 -1.25 -5.00 118.70 110.41 1iox s GLU 27 Ca -0.14 -2.36 -0.10 0.00 0.36 0.00 0.00 54.97 52.73 1iox s GLU 27 Cb 0.23 -3.90 -0.25 0.00 0.26 0.00 0.00 34.13 30.47 1iox s GLU 27 CO 0.74 -1.20 1.74 0.94 -0.54 0.00 0.00 175.26 176.95 1iox n GLN 28 N 3.87 0.00 -3.23 4.30 -0.06 -1.13 -4.53 117.38 116.60 1iox n GLN 28 Ca 0.06 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.91 1iox n GLN 28 Cb 0.40 -0.84 -0.06 0.00 -4.06 0.00 0.00 30.24 25.68 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1iox s THR 29 N 1.16 -0.37 -0.78 1.69 2.01 -0.98 -4.99 115.64 113.39 1iox s THR 29 Ca 1.03 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 1iox s THR 29 Cb -0.71 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 1iox s THR 29 CO 0.43 -0.57 1.72 -2.16 -0.69 0.00 0.00 174.62 173.35 1iox s PRO 30 N 1.02 2.85 -0.17 4.92 0.04 -1.26 -2.18 135.00 140.21 1iox s PRO 30 Ca 0.23 -0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.07 1iox s PRO 30 Cb -0.07 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 1iox s PRO 30 CO -0.07 -2.73 0.35 -1.54 0.04 0.00 0.00 177.00 173.04 1iox s SER 31 N 6.82 6.46 -0.54 6.66 1.04 -0.67 -4.97 113.70 128.50 1iox s SER 31 Ca 0.59 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 1iox s SER 31 Cb -0.08 -2.21 0.14 0.00 0.10 0.00 0.00 66.02 63.97 1iox s SER 31 CO 0.09 0.03 0.41 0.00 0.98 0.00 0.00 173.24 174.75 1iox s VAL 33 N 0.93 4.92 0.19 0.00 1.01 0.11 -4.92 120.40 122.64 1iox s VAL 33 Ca 0.09 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1iox s VAL 33 Cb -0.23 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1iox s VAL 33 CO -0.02 0.03 -0.12 0.00 0.00 0.00 0.00 175.10 174.98 1iox n ASP 35 N -0.33 3.88 -0.41 0.00 9.92 -0.90 -4.80 116.55 123.90 1iox n ASP 35 Ca -0.08 0.94 0.36 0.00 -0.53 0.00 0.00 54.79 55.47 1iox n ASP 35 Cb 0.61 -1.47 0.69 0.00 -0.64 0.00 0.00 41.12 40.31 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 9.90 0.10 -1.61 -1.24 4.57 -1.98 0.40 114.58 124.72 1iox h GLU 36 Ca -0.49 -0.01 -0.37 0.00 -1.18 0.00 0.00 59.36 57.31 1iox h GLU 36 Cb 1.25 -0.02 -0.15 0.00 -0.16 0.00 0.00 28.75 29.67 1iox h GLU 36 CO 0.94 0.06 0.42 0.41 -1.18 0.00 0.00 179.01 179.67 1iox n GLY 37 N -1.69 4.20 3.52 1.92 0.00 -1.26 -4.90 105.19 106.99 1iox n GLY 37 Ca 0.31 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 2.22 0.01 1.61 1.13 0.14 -1.41 117.35 119.23 1iox s TYR 38 Ca 0.38 -0.75 -0.14 0.00 -1.41 0.00 0.00 57.07 55.15 1iox s TYR 38 Cb 0.28 -1.45 0.02 0.00 -1.10 0.00 0.00 41.96 39.71 1iox s TYR 38 CO -0.05 0.29 0.30 0.42 -2.51 0.00 0.00 175.55 174.00 1iox s ILE 39 N -2.95 0.07 0.00 -3.49 1.01 -0.68 -4.59 121.20 110.57 1iox s ILE 39 Ca 0.34 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1iox s ILE 39 Cb 0.08 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1iox s ILE 39 CO 0.16 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1iox n GLY 40 N 0.99 1.59 0.12 6.18 0.00 -1.26 -0.78 105.19 112.04 1iox n GLY 40 Ca -0.20 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.46 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 0.26 -0.39 4.61 0.00 -2.00 -3.34 119.26 118.40 1iox h ALA 41 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1iox h ALA 41 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1iox h ALA 41 CO 0.00 0.92 0.00 0.54 0.00 0.00 0.00 179.25 180.71 1iox n ARG 42 N -3.93 3.32 -3.48 0.00 1.74 -1.26 -4.88 116.66 108.17 1iox n ARG 42 Ca -0.28 -1.99 -0.21 0.00 -0.77 0.00 0.00 57.85 54.60 1iox n ARG 42 Cb 0.89 -1.91 0.08 0.00 -1.02 0.00 0.00 32.46 30.50 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 -4.53 0.67 -2.94 0.00 -0.00 -1.24 -2.22 120.64 110.38 1iox n GLU 44 Ca -0.04 -0.06 -0.25 0.00 -0.00 0.00 0.00 57.16 56.81 1iox n GLU 44 Cb 0.57 -1.56 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 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 -2.97 3.35 0.30 3.44 3.00 0.04 -4.98 118.95 121.12 1iox s ARG 45 Ca -0.08 -0.16 0.11 0.00 -1.00 0.00 0.00 55.73 54.60 1iox s ARG 45 Cb 0.10 -2.50 -0.05 0.00 0.00 0.00 0.00 34.95 32.49 1iox s ARG 45 CO 0.86 -0.15 -0.14 0.54 0.00 0.00 0.00 175.30 176.41 1iox s VAL 46 N -2.58 2.58 0.00 7.11 0.11 -1.26 -1.68 120.40 124.68 1iox s VAL 46 Ca 0.46 -2.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.24 1iox s VAL 46 Cb -0.10 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 1iox s VAL 46 CO 0.40 -0.34 0.00 -0.67 -3.33 0.00 0.00 175.10 171.16 1iox n ASP 47 N -0.72 0.00 -3.01 3.54 2.03 -0.50 -4.50 116.55 113.39 1iox n ASP 47 Ca -0.05 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.01 1iox n ASP 47 Cb 0.61 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.97 1iox n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iox n LEU 48 N 0.00 3.73 -0.16 -2.67 7.99 -1.26 -4.88 117.00 119.75 1iox n LEU 48 Ca 0.00 -5.54 -0.09 0.00 -0.01 0.00 0.00 56.01 50.37 1iox n LEU 48 Cb 0.00 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1iox n LEU 48 CO 0.00 2.33 0.90 0.15 -1.51 0.00 0.00 177.39 179.26 1iox h PHE 49 N 3.06 0.77 -0.00 -1.77 3.57 -1.91 -3.52 116.94 117.14 1iox h PHE 49 Ca 0.13 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1iox h PHE 49 Cb 0.60 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1iox h PHE 49 CO 0.76 0.69 0.00 0.98 -2.23 0.00 0.00 178.31 178.51