#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iox s LYS 2 N 0.00 1.25 -0.30 5.56 -2.85 -1.26 -5.12 119.74 117.02 1iox s LYS 2 Ca 0.00 -1.24 -0.14 0.00 -1.00 0.00 0.00 55.97 53.59 1iox s LYS 2 Cb 0.00 -1.61 0.18 0.00 -2.06 0.00 0.00 37.83 34.34 1iox s LYS 2 CO 0.00 0.38 1.09 0.20 0.10 0.00 0.00 175.35 177.12 1iox s GLY 3 N -1.95 -0.27 -0.33 0.59 0.00 -1.26 -5.13 107.32 98.97 1iox s GLY 3 Ca 0.10 2.87 -0.06 0.00 0.00 0.00 0.00 44.72 47.63 1iox s GLY 3 CO 0.05 3.83 0.94 -1.58 0.00 0.00 0.00 173.10 176.33 1iox s HIS 4 N 2.94 -0.75 0.00 1.90 5.04 -1.26 -5.17 115.29 117.99 1iox s HIS 4 Ca -0.03 0.22 0.00 0.00 -1.54 0.00 0.00 55.06 53.71 1iox s HIS 4 Cb -0.10 0.13 0.00 0.00 0.04 0.00 0.00 32.58 32.66 1iox s HIS 4 CO -0.10 -0.48 0.00 1.19 -2.34 0.00 0.00 174.74 173.00 1iox n PHE 5 N 4.28 0.00 -4.05 3.88 3.01 -1.26 -4.94 117.46 118.39 1iox n PHE 5 Ca 0.07 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.31 1iox n PHE 5 Cb 0.60 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.90 1iox n PHE 5 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1iox s SER 6 N 0.99 1.43 -0.24 4.37 0.01 -1.17 -5.01 113.70 114.08 1iox s SER 6 Ca 0.00 -0.16 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 1iox s SER 6 Cb 0.00 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 1iox s SER 6 CO 0.00 -0.10 0.54 -0.13 0.41 0.00 0.00 173.24 173.97 1iox s ARG 7 N 1.33 4.11 -0.13 12.44 0.52 -1.26 -2.12 118.95 133.84 1iox s ARG 7 Ca -0.04 0.40 -0.32 0.00 -0.52 0.00 0.00 55.73 55.25 1iox s ARG 7 Cb -0.14 -3.63 -0.09 0.00 0.52 0.00 0.00 34.95 31.61 1iox s ARG 7 CO -0.03 -0.32 2.04 0.00 0.02 0.00 0.00 175.30 177.02 1iox s PRO 9 N 5.10 1.22 0.41 0.00 0.04 -1.26 -4.71 135.00 135.80 1iox s PRO 9 Ca 0.96 0.45 0.17 0.00 0.04 0.00 0.00 61.00 62.62 1iox s PRO 9 Cb -0.55 -1.83 0.89 0.00 0.04 0.00 0.00 34.50 33.05 1iox s PRO 9 CO 0.44 -2.18 1.87 -0.22 0.04 0.00 0.00 177.00 176.96 1iox h LYS 10 N -1.49 0.00 0.00 4.56 1.63 -1.98 -2.21 116.57 117.08 1iox h LYS 10 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1iox h LYS 10 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1iox h LYS 10 CO 0.60 0.31 0.00 0.94 -3.45 0.00 0.00 179.45 177.85 1iox n GLN 11 N -3.88 0.14 -0.07 1.90 7.27 -1.26 -1.98 117.38 119.50 1iox n GLN 11 Ca -0.02 0.48 0.07 0.00 0.07 0.00 0.00 57.00 57.60 1iox n GLN 11 Cb 0.38 -1.83 0.10 0.00 2.41 0.00 0.00 30.24 31.30 1iox n GLN 11 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1iox n TYR 12 N -2.11 0.00 -1.33 3.69 4.01 -0.85 -4.78 117.16 115.79 1iox n TYR 12 Ca 0.01 -0.82 -0.24 0.00 -0.16 0.00 0.00 57.90 56.69 1iox n TYR 12 Cb 0.14 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.12 2.25 0.13 -0.72 5.02 -0.84 -4.35 118.16 118.53 1iox n LYS 13 Ca 0.11 -2.12 0.12 0.00 -2.02 0.00 0.00 58.31 54.39 1iox n LYS 13 Cb 0.54 -2.02 0.12 0.00 -0.02 0.00 0.00 35.03 33.64 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 2.64 0.00 -0.04 2.13 3.86 -1.86 -3.15 115.15 118.74 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 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1iox h HIS 14 CO 1.33 0.00 0.00 2.48 0.86 0.00 0.00 177.93 182.60 1iox n TYR 15 N -2.64 0.03 -3.20 2.45 0.18 -1.26 -4.64 117.16 108.07 1iox n TYR 15 Ca 0.02 -0.01 0.01 0.00 1.88 0.00 0.00 57.90 59.80 1iox n TYR 15 Cb 0.51 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.46 1iox n TYR 15 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1iox h ILE 17 N 5.13 0.72 -2.14 0.00 2.04 -1.37 -3.25 117.51 118.66 1iox h ILE 17 Ca 0.04 -0.20 -0.69 0.00 1.00 0.00 0.00 64.86 65.01 1iox h ILE 17 Cb 1.18 0.84 -0.35 0.00 -0.74 0.00 0.00 36.82 37.75 1iox h ILE 17 CO 0.11 0.04 0.18 2.29 0.00 0.00 0.00 178.15 180.77 1iox n LYS 18 N -5.22 4.01 -3.42 2.37 2.85 -0.91 -4.99 118.16 112.85 1iox n LYS 18 Ca -0.10 -4.58 -0.12 0.00 -1.05 0.00 0.00 58.31 52.46 1iox n LYS 18 Cb 0.21 -2.33 -0.02 0.00 -0.65 0.00 0.00 35.03 32.24 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 -2.40 -0.62 0.53 2.58 0.00 -1.23 -2.33 107.32 103.86 1iox s GLY 19 Ca 0.46 0.52 0.09 0.00 0.00 0.00 0.00 44.72 45.78 1iox s GLY 19 CO -0.18 0.18 0.67 0.50 0.00 0.00 0.00 173.10 174.27 1iox s ARG 20 N -3.68 2.40 -0.27 2.90 1.81 0.17 -4.84 118.95 117.45 1iox s ARG 20 Ca 0.01 -1.62 -0.13 0.00 -1.72 0.00 0.00 55.73 52.26 1iox s ARG 20 Cb -0.01 -2.57 0.09 0.00 -0.45 0.00 0.00 34.95 32.01 1iox s ARG 20 CO -0.12 -0.68 0.64 0.00 -0.68 0.00 0.00 175.30 174.45 1iox s ARG 22 N 2.04 3.69 -0.31 0.00 1.81 0.70 -1.50 118.95 125.39 1iox s ARG 22 Ca -0.08 -0.47 -0.05 0.00 -1.72 0.00 0.00 55.73 53.40 1iox s ARG 22 Cb -0.08 -3.25 0.03 0.00 -0.45 0.00 0.00 34.95 31.20 1iox s ARG 22 CO -0.19 -0.08 0.06 0.12 -0.68 0.00 0.00 175.30 174.54 1iox s PHE 23 N 1.30 3.19 -0.28 -0.53 2.19 -0.90 -0.97 117.98 121.97 1iox s PHE 23 Ca 0.05 -1.34 -0.20 0.00 0.33 0.00 0.00 56.93 55.77 1iox s PHE 23 Cb -0.15 -2.22 -0.01 0.00 -1.31 0.00 0.00 43.02 39.33 1iox s PHE 23 CO 0.03 -0.68 0.64 0.08 1.83 0.00 0.00 175.22 177.12 1iox s VAL 24 N 1.41 4.95 -0.04 3.12 1.01 -0.97 -3.06 120.40 126.82 1iox s VAL 24 Ca -0.00 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1iox s VAL 24 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1iox s VAL 24 CO 0.01 -0.06 0.15 0.58 0.00 0.00 0.00 175.10 175.78 1iox h VAL 25 N 5.48 0.00 -0.92 2.92 2.07 -1.92 -2.57 116.25 121.31 1iox h VAL 25 Ca -0.27 -0.47 0.24 0.00 0.82 0.00 0.00 66.70 67.03 1iox h VAL 25 Cb 1.12 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.72 1iox h VAL 25 CO 0.79 0.00 0.04 0.00 0.02 0.00 0.00 177.57 178.43 1iox h ALA 26 N -1.49 1.08 -3.04 1.67 0.00 -1.93 -2.79 119.26 112.76 1iox h ALA 26 Ca -0.01 0.30 -0.72 0.00 0.00 0.00 0.00 54.91 54.49 1iox h ALA 26 Cb 0.07 0.52 -0.34 0.00 0.00 0.00 0.00 17.79 18.04 1iox h ALA 26 CO 0.01 -0.52 -0.21 -2.00 0.00 0.00 0.00 179.25 176.53 1iox s GLU 27 N -6.03 2.93 -0.74 0.00 2.12 -1.25 -5.00 118.70 110.74 1iox s GLU 27 Ca -0.13 -2.71 -0.09 0.00 0.36 0.00 0.00 54.97 52.40 1iox s GLU 27 Cb 0.27 -3.91 -0.24 0.00 0.26 0.00 0.00 34.13 30.51 1iox s GLU 27 CO 0.77 -1.22 1.65 0.94 -0.54 0.00 0.00 175.26 176.87 1iox n GLN 28 N 3.29 0.00 -3.23 4.30 7.27 -1.05 -4.48 117.38 123.48 1iox n GLN 28 Ca 0.12 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 57.03 1iox n GLN 28 Cb 0.39 -0.80 -0.06 0.00 2.41 0.00 0.00 30.24 32.18 1iox n GLN 28 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1iox s THR 29 N 1.08 -0.30 -1.16 1.69 2.01 -0.97 -4.99 115.64 112.99 1iox s THR 29 Ca 0.98 -1.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.29 1iox s THR 29 Cb -0.68 -0.67 0.04 0.00 0.01 0.00 0.00 72.50 71.20 1iox s THR 29 CO 0.41 -0.63 1.68 -2.16 -0.69 0.00 0.00 174.62 173.23 1iox s PRO 30 N 0.88 3.56 0.07 4.92 0.04 -1.26 -2.28 135.00 140.93 1iox s PRO 30 Ca 0.25 -1.47 -0.18 0.00 0.04 0.00 0.00 61.00 59.64 1iox s PRO 30 Cb -0.06 -5.41 -0.07 0.00 0.04 0.00 0.00 34.50 29.01 1iox s PRO 30 CO -0.08 -2.53 0.55 0.45 0.04 0.00 0.00 177.00 175.42 1iox s SER 31 N 5.05 7.01 -0.21 6.66 0.15 -0.15 -4.97 113.70 127.25 1iox s SER 31 Ca 0.54 1.21 -0.01 0.00 0.70 0.00 0.00 55.95 58.40 1iox s SER 31 Cb 0.01 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 62.04 1iox s SER 31 CO 0.02 0.27 -0.02 0.00 1.20 0.00 0.00 173.24 174.70 1iox s VAL 33 N 1.58 5.24 0.14 0.00 1.01 0.76 -4.93 120.40 124.20 1iox s VAL 33 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1iox s VAL 33 Cb -0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1iox s VAL 33 CO -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 175.10 174.64 1iox n ASP 35 N -0.14 3.66 -0.40 0.00 2.03 -0.98 -4.79 116.55 115.93 1iox n ASP 35 Ca -0.09 0.98 0.34 0.00 0.52 0.00 0.00 54.79 56.54 1iox n ASP 35 Cb 0.62 -1.45 0.61 0.00 -0.72 0.00 0.00 41.12 40.18 1iox n ASP 35 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1iox h GLU 36 N 8.76 0.08 -1.90 -0.67 5.08 -1.99 0.45 114.58 124.40 1iox h GLU 36 Ca -0.48 -0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 1iox h GLU 36 Cb 1.25 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 1iox h GLU 36 CO 0.94 0.05 0.40 0.41 -1.00 0.00 0.00 179.01 179.81 1iox n GLY 37 N -1.41 4.34 3.44 -3.84 0.00 -1.26 -4.91 105.19 101.54 1iox n GLY 37 Ca 0.37 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.77 2.07 0.04 1.61 1.13 0.16 -1.57 117.35 119.02 1iox s TYR 38 Ca 0.55 -0.52 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 1iox s TYR 38 Cb 0.36 -1.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1iox s TYR 38 CO -0.18 0.48 0.05 0.42 -2.51 0.00 0.00 175.55 173.80 1iox s ILE 39 N -2.78 0.16 0.00 -3.49 -1.09 -0.65 -4.68 121.20 108.66 1iox s ILE 39 Ca 0.28 -1.29 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 1iox s ILE 39 Cb -0.00 -1.02 0.00 0.00 -1.58 0.00 0.00 42.46 39.86 1iox s ILE 39 CO 0.12 -0.71 0.00 0.61 -1.23 0.00 0.00 174.94 173.73 1iox n GLY 40 N 0.64 2.23 0.25 6.18 0.00 -1.26 -1.65 105.19 111.57 1iox n GLY 40 Ca -0.18 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 0.57 -0.29 4.61 0.00 -2.00 -2.74 119.26 119.41 1iox h ALA 41 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1iox h ALA 41 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1iox h ALA 41 CO 0.00 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.32 1iox n ARG 42 N -4.23 1.80 -2.89 0.00 1.74 -1.26 -4.92 116.66 106.90 1iox n ARG 42 Ca -0.01 -1.23 -0.12 0.00 -0.77 0.00 0.00 57.85 55.72 1iox n ARG 42 Cb 0.43 -1.32 0.06 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.93 1.51 -2.72 0.00 2.13 -1.10 -2.14 120.64 115.39 1iox n GLU 44 Ca -0.08 0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.54 1iox n GLU 44 Cb 0.60 -1.37 0.04 0.00 0.27 0.00 0.00 31.44 30.98 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 -2.35 2.50 -0.05 5.31 0.52 -0.66 -4.96 118.95 119.26 1iox s ARG 45 Ca -0.09 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.13 1iox s ARG 45 Cb 0.05 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1iox s ARG 45 CO 0.57 -0.71 0.16 0.54 0.02 0.00 0.00 175.30 175.88 1iox s VAL 46 N -2.72 0.01 -0.39 3.52 0.11 -1.26 -1.64 120.40 118.03 1iox s VAL 46 Ca 0.58 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.64 1iox s VAL 46 Cb -0.10 -0.26 0.32 0.00 -1.53 0.00 0.00 36.38 34.81 1iox s VAL 46 CO 0.38 -0.05 0.72 -0.67 -3.33 0.00 0.00 175.10 172.15 1iox n ASP 47 N 2.78 0.19 -2.26 3.54 -0.08 -0.61 -4.85 116.55 115.26 1iox n ASP 47 Ca -0.14 -3.01 -0.32 0.00 -1.51 0.00 0.00 54.79 49.81 1iox n ASP 47 Cb 0.58 -0.26 0.10 0.00 2.34 0.00 0.00 41.12 43.88 1iox n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1iox n LEU 48 N 0.62 7.28 -0.37 -2.67 0.00 -1.24 -4.70 117.00 115.91 1iox n LEU 48 Ca 0.21 -4.18 0.29 0.00 0.00 0.00 0.00 56.01 52.33 1iox n LEU 48 Cb 0.63 -0.91 0.55 0.00 0.00 0.00 0.00 43.42 43.70 1iox n LEU 48 CO 0.18 1.43 1.18 0.15 0.00 0.00 0.00 177.39 180.33 1iox h PHE 49 N 1.80 0.71 0.00 1.96 3.04 -1.93 -3.51 116.94 119.01 1iox h PHE 49 Ca 0.59 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.57 1iox h PHE 49 Cb 1.25 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1iox h PHE 49 CO 1.42 -0.14 0.00 0.66 -2.02 0.00 0.00 178.31 178.23