#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iro s LYS 2 N 0.00 3.98 0.55 0.03 -0.14 -1.26 -4.89 119.74 118.01 1iro s LYS 2 Ca 0.00 0.52 -0.17 0.00 -1.36 0.00 0.00 55.97 54.97 1iro s LYS 2 Cb 0.00 -2.75 -0.06 0.00 -1.68 0.00 0.00 37.83 33.34 1iro s LYS 2 CO 0.00 0.36 1.03 0.15 -0.76 0.00 0.00 175.35 176.13 1iro s LYS 3 N -2.39 3.58 0.03 1.68 1.02 -1.26 -4.59 119.74 117.81 1iro s LYS 3 Ca 0.44 1.16 0.05 0.00 0.02 0.00 0.00 55.97 57.65 1iro s LYS 3 Cb -0.13 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1iro s LYS 3 CO 0.20 -0.59 -0.15 0.71 -0.92 0.00 0.00 175.35 174.59 1iro s TYR 4 N -2.41 1.33 -0.03 3.18 1.51 -0.86 -0.72 117.35 119.34 1iro s TYR 4 Ca 0.63 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 1iro s TYR 4 Cb -0.14 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1iro s TYR 4 CO 0.32 0.03 -0.20 0.99 -1.11 0.00 0.00 175.55 175.59 1iro s THR 5 N -0.76 2.58 -0.31 -0.71 2.01 -0.06 -0.23 115.64 118.17 1iro s THR 5 Ca 0.03 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 1iro s THR 5 Cb -0.08 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1iro s THR 5 CO 0.01 0.58 1.43 0.00 -0.69 0.00 0.00 174.62 175.95 1iro n THR 7 N 6.51 0.26 0.02 0.00 -2.24 -0.32 -0.68 114.28 117.84 1iro n THR 7 Ca 0.17 0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.80 1iro n THR 7 Cb 0.47 -0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 1iro n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1iro h VAL 8 N 0.00 1.06 0.00 2.28 2.07 -1.91 -3.43 116.25 116.33 1iro h VAL 8 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1iro h VAL 8 Cb 0.32 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1iro h VAL 8 CO 0.00 0.72 -0.64 0.00 0.02 0.00 0.00 177.57 177.67 1iro n GLY 10 N 1.96 0.58 3.64 0.00 0.00 0.15 -5.05 105.19 106.47 1iro n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1iro n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iro n TYR 11 N -2.00 1.75 -3.87 1.61 9.36 -1.26 -4.65 117.16 118.09 1iro n TYR 11 Ca 0.00 0.63 -0.36 0.00 3.32 0.00 0.00 57.90 61.49 1iro n TYR 11 Cb 0.00 -2.33 -0.13 0.00 -0.63 0.00 0.00 39.34 36.25 1iro n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1iro s ILE 12 N -1.01 3.91 -0.29 2.97 1.01 -1.26 -0.46 121.20 126.07 1iro s ILE 12 Ca 0.58 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1iro s ILE 12 Cb -0.65 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1iro s ILE 12 CO 0.60 0.39 1.01 -0.47 0.00 0.00 0.00 174.94 176.47 1iro s TYR 13 N 1.44 3.22 -0.30 3.97 5.04 0.68 -4.96 117.35 126.44 1iro s TYR 13 Ca 0.05 1.21 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1iro s TYR 13 Cb -0.15 -3.47 0.03 0.00 0.35 0.00 0.00 41.96 38.73 1iro s TYR 13 CO 0.01 -0.64 0.04 1.21 -1.34 0.00 0.00 175.55 174.83 1iro s ASN 14 N 1.51 4.95 0.58 4.32 3.84 -1.26 -2.03 114.94 126.85 1iro s ASN 14 Ca 0.42 -1.00 0.28 0.00 0.21 0.00 0.00 52.86 52.77 1iro s ASN 14 Cb -0.13 -1.79 1.71 0.00 -0.55 0.00 0.00 41.25 40.49 1iro s ASN 14 CO 0.12 -0.23 2.20 1.55 -2.79 0.00 0.00 177.10 177.95 1iro h PRO 15 N 8.13 0.00 0.00 0.43 0.13 -1.82 -0.52 132.00 138.35 1iro h PRO 15 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1iro h PRO 15 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1iro h PRO 15 CO 0.58 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.05 1iro h GLU 16 N 0.00 0.00 0.02 0.86 5.08 -1.94 0.35 114.58 118.95 1iro h GLU 16 Ca 0.03 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.03 1iro h GLU 16 Cb 0.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1iro h GLU 16 CO -0.00 0.23 -2.18 -0.25 -1.00 0.00 0.00 179.01 175.81 1iro n ASP 17 N -3.56 0.87 0.00 1.42 8.00 -0.36 -4.32 116.55 118.60 1iro n ASP 17 Ca -0.01 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1iro n ASP 17 Cb 0.37 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1iro n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iro n GLY 18 N 1.82 0.33 2.27 0.44 0.00 -0.35 -4.07 105.19 105.63 1iro n GLY 18 Ca -0.31 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 1iro n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iro n ASP 19 N -2.02 -0.23 0.08 1.61 2.03 0.54 -4.71 116.55 113.86 1iro n ASP 19 Ca 0.00 -2.79 0.04 0.00 0.52 0.00 0.00 54.79 52.56 1iro n ASP 19 Cb 0.00 -0.29 0.44 0.00 -0.72 0.00 0.00 41.12 40.55 1iro n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iro h PRO 20 N 3.95 0.35 0.00 -0.67 0.13 -1.66 -1.36 132.00 132.75 1iro h PRO 20 Ca 0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iro h PRO 20 Cb 0.91 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1iro h PRO 20 CO 0.44 0.32 0.00 -0.44 -0.23 0.00 0.00 178.00 178.09 1iro h ASP 21 N 0.35 0.00 -0.26 1.44 3.32 -1.96 -0.97 116.42 118.33 1iro h ASP 21 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1iro h ASP 21 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1iro h ASP 21 CO -0.01 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.10 1iro n ASN 22 N -2.70 3.83 0.00 6.45 3.02 -0.59 -4.97 115.26 120.30 1iro n ASN 22 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1iro n ASN 22 Cb 0.21 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1iro n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iro n GLY 23 N -0.54 0.55 3.28 7.41 0.00 -0.37 -5.01 105.19 110.50 1iro n GLY 23 Ca 0.22 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1iro n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iro s VAL 24 N -2.00 4.37 0.57 1.61 1.01 -0.76 -4.96 120.40 120.23 1iro s VAL 24 Ca 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.45 1iro s VAL 24 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1iro s VAL 24 CO 0.00 -0.53 1.04 0.20 0.00 0.00 0.00 175.10 175.81 1iro s ASN 25 N 2.21 6.04 0.33 3.32 -0.87 -1.26 -0.34 114.94 124.38 1iro s ASN 25 Ca 0.03 1.74 -0.26 0.00 -1.57 0.00 0.00 52.86 52.80 1iro s ASN 25 Cb -0.23 -2.53 -0.13 0.00 -0.02 0.00 0.00 41.25 38.34 1iro s ASN 25 CO 0.03 -0.99 0.91 -2.65 -2.57 0.00 0.00 177.10 171.83 1iro n PRO 26 N -1.89 1.16 -0.54 -0.60 -0.02 -1.26 -2.32 135.00 129.52 1iro n PRO 26 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1iro n PRO 26 Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1iro n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iro n GLY 27 N 1.34 0.76 3.62 -1.23 0.00 0.12 -4.91 105.19 104.89 1iro n GLY 27 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1iro n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iro s THR 28 N -2.73 4.79 0.54 2.61 2.01 -0.98 -5.01 115.64 116.88 1iro s THR 28 Ca 0.00 1.34 -0.20 0.00 0.31 0.00 0.00 61.69 63.14 1iro s THR 28 Cb 0.00 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1iro s THR 28 CO 0.00 -0.20 1.16 -0.62 -0.69 0.00 0.00 174.62 174.27 1iro s ASP 29 N 1.53 5.67 0.28 3.53 2.15 -1.26 -4.62 116.67 123.94 1iro s ASP 29 Ca 0.34 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.58 1iro s ASP 29 Cb -0.14 -2.59 0.54 0.00 -0.30 0.00 0.00 42.92 40.42 1iro s ASP 29 CO 0.11 -1.26 1.82 0.15 -0.17 0.00 0.00 175.17 175.82 1iro h PHE 30 N 1.27 1.07 -0.07 -5.34 3.57 -1.96 -0.51 116.94 114.98 1iro h PHE 30 Ca -0.50 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.05 1iro h PHE 30 Cb 1.27 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1iro h PHE 30 CO 0.50 0.41 0.05 1.57 -2.23 0.00 0.00 178.31 178.61 1iro h LYS 31 N 0.93 0.01 -0.00 1.11 2.10 -1.98 -2.15 116.57 116.59 1iro h LYS 31 Ca 0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1iro h LYS 31 Cb 0.50 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1iro h LYS 31 CO -0.27 0.01 -0.29 -0.25 -2.00 0.00 0.00 179.45 176.65 1iro n ASP 32 N -4.52 0.50 -4.73 7.07 8.00 -0.21 -4.86 116.55 117.79 1iro n ASP 32 Ca -0.01 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 1iro n ASP 32 Cb 0.15 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1iro n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1iro s ILE 33 N -2.80 2.09 0.36 0.53 1.01 -0.81 -4.92 121.20 116.66 1iro s ILE 33 Ca 0.18 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 1iro s ILE 33 Cb 0.19 -3.04 -0.12 0.00 0.01 0.00 0.00 42.46 39.49 1iro s ILE 33 CO 0.59 0.01 1.13 -2.65 0.00 0.00 0.00 174.94 174.02 1iro n PRO 34 N 3.24 1.67 0.00 2.79 -0.02 -1.26 -4.83 135.00 136.59 1iro n PRO 34 Ca 0.13 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1iro n PRO 34 Cb 0.36 -2.12 0.66 0.00 -0.02 0.00 0.00 33.50 32.39 1iro n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iro n ASP 35 N 0.76 0.00 -0.77 2.55 8.00 -1.26 -1.33 116.55 124.50 1iro n ASP 35 Ca 0.08 -0.60 0.13 0.00 0.71 0.00 0.00 54.79 55.10 1iro n ASP 35 Cb 0.36 -0.05 0.27 0.00 -0.02 0.00 0.00 41.12 41.68 1iro n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iro n ASP 36 N -1.05 2.40 -4.76 -2.24 5.75 -1.26 -4.76 116.55 110.63 1iro n ASP 36 Ca 0.16 -1.80 -0.36 0.00 -0.01 0.00 0.00 54.79 52.78 1iro n ASP 36 Cb 0.10 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.20 1iro n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1iro s TRP 37 N -2.00 2.56 0.19 2.11 -0.00 -0.44 -5.03 118.94 116.33 1iro s TRP 37 Ca 0.32 1.51 0.08 0.00 -0.00 0.00 0.00 56.10 58.01 1iro s TRP 37 Cb 0.20 -3.45 -0.05 0.00 -0.00 0.00 0.00 33.47 30.18 1iro s TRP 37 CO 0.31 -1.98 -0.15 0.14 -0.00 0.00 0.00 176.95 175.28 1iro s VAL 38 N -1.59 1.70 0.08 5.86 -7.23 -1.26 -3.87 120.40 114.10 1iro s VAL 38 Ca 0.72 -2.13 -0.35 0.00 -1.81 0.00 0.00 61.98 58.41 1iro s VAL 38 Cb -0.30 -1.98 -0.14 0.00 0.56 0.00 0.00 36.38 34.53 1iro s VAL 38 CO 0.34 -0.55 1.61 0.00 -0.31 0.00 0.00 175.10 176.18 1iro h PRO 40 N 6.40 0.00 0.12 0.00 0.13 -1.97 0.10 132.00 136.78 1iro h PRO 40 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1iro h PRO 40 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1iro h PRO 40 CO 0.89 0.20 -1.80 1.25 -0.23 0.00 0.00 178.00 178.30 1iro h LEU 41 N 0.00 0.40 0.00 1.56 6.46 -1.99 -3.43 115.31 118.31 1iro h LEU 41 Ca -0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 57.88 56.87 1iro h LEU 41 Cb 0.51 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1iro h LEU 41 CO 0.03 1.78 -0.39 0.00 -0.62 0.00 0.00 178.44 179.23 1iro n GLY 43 N 1.46 0.79 3.88 0.00 0.00 0.02 -4.97 105.19 106.37 1iro n GLY 43 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1iro n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iro s VAL 44 N -3.03 4.75 0.93 1.61 -7.23 -1.26 -4.57 120.40 111.60 1iro s VAL 44 Ca 0.00 0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 60.76 1iro s VAL 44 Cb 0.00 -3.85 0.16 0.00 0.56 0.00 0.00 36.38 33.24 1iro s VAL 44 CO 0.00 -1.03 1.22 -0.83 -0.31 0.00 0.00 175.10 174.15 1iro s GLY 45 N -4.06 1.66 0.53 2.32 0.00 -1.26 -0.58 107.32 105.93 1iro s GLY 45 Ca 0.53 -0.86 0.22 0.00 0.00 0.00 0.00 44.72 44.62 1iro s GLY 45 CO 0.50 -0.21 2.04 0.50 0.00 0.00 0.00 173.10 175.93 1iro h LYS 46 N -1.52 0.00 0.00 2.90 1.57 -1.86 -2.28 116.57 115.38 1iro h LYS 46 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1iro h LYS 46 Cb 1.29 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1iro h LYS 46 CO 0.52 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 1iro n ASP 47 N -4.43 0.00 -1.21 0.86 5.68 -1.26 -1.25 116.55 114.94 1iro n ASP 47 Ca 0.06 0.46 0.11 0.00 -0.50 0.00 0.00 54.79 54.92 1iro n ASP 47 Cb 0.45 -0.47 0.28 0.00 -1.14 0.00 0.00 41.12 40.23 1iro n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iro n GLN 48 N -1.47 2.54 -3.56 0.11 1.13 -0.86 -4.95 117.38 110.33 1iro n GLN 48 Ca 0.02 -2.37 -0.29 0.00 -1.94 0.00 0.00 57.00 52.43 1iro n GLN 48 Cb 0.09 -1.52 -0.04 0.00 0.11 0.00 0.00 30.24 28.88 1iro n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1iro s PHE 49 N -1.24 3.48 0.03 1.08 0.40 -0.38 -1.17 117.98 120.18 1iro s PHE 49 Ca 0.43 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 57.29 1iro s PHE 49 Cb 0.23 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1iro s PHE 49 CO 0.31 0.31 -0.06 -1.83 0.70 0.00 0.00 175.22 174.65 1iro s GLU 50 N -3.24 0.46 0.44 0.44 -1.05 -0.47 -4.93 118.70 110.35 1iro s GLU 50 Ca 0.41 -0.68 -0.25 0.00 -0.15 0.00 0.00 54.97 54.30 1iro s GLU 50 Cb -0.11 -0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.30 1iro s GLU 50 CO 0.28 0.03 1.33 -2.00 0.95 0.00 0.00 175.26 175.85 1iro s GLU 51 N -1.45 3.79 -0.53 -4.83 2.12 -1.26 -0.88 118.70 115.66 1iro s GLU 51 Ca -0.11 2.21 -0.22 0.00 0.36 0.00 0.00 54.97 57.22 1iro s GLU 51 Cb -0.09 -2.65 0.05 0.00 0.26 0.00 0.00 34.13 31.69 1iro s GLU 51 CO 0.00 -0.66 0.79 0.08 -0.54 0.00 0.00 175.26 174.93 1iro s VAL 52 N -1.27 4.62 -2.28 3.70 1.01 0.10 -4.83 120.40 121.45 1iro s VAL 52 Ca 0.60 -0.07 0.30 0.00 0.00 0.00 0.00 61.98 62.81 1iro s VAL 52 Cb -0.39 -4.42 0.71 0.00 0.00 0.00 0.00 36.38 32.28 1iro s VAL 52 CO 0.50 -0.96 1.96 -0.62 0.00 0.00 0.00 175.10 175.98