#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9p s LYS 2 N 0.00 4.62 0.54 0.03 1.02 -1.26 -4.88 119.74 119.81 1t9p s LYS 2 Ca 0.00 1.76 -0.18 0.00 0.02 0.00 0.00 55.97 57.56 1t9p s LYS 2 Cb 0.00 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 1t9p s LYS 2 CO 0.00 0.15 1.05 0.15 -0.92 0.00 0.00 175.35 175.78 1t9p s LYS 3 N -0.87 3.56 0.05 1.68 1.02 -1.26 -4.57 119.74 119.35 1t9p s LYS 3 Ca 0.47 1.30 0.05 0.00 0.02 0.00 0.00 55.97 57.81 1t9p s LYS 3 Cb -0.31 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1t9p s LYS 3 CO 0.38 -0.63 -0.13 0.71 -0.92 0.00 0.00 175.35 174.76 1t9p s TYR 4 N -2.19 1.13 -0.01 3.18 1.51 -0.73 -0.55 117.35 119.69 1t9p s TYR 4 Ca 0.66 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1t9p s TYR 4 Cb -0.17 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1t9p s TYR 4 CO 0.28 0.03 -0.24 -0.08 -1.11 0.00 0.00 175.55 174.43 1t9p s THR 5 N -1.06 1.88 -0.13 -0.71 -1.32 0.13 -0.45 115.64 113.98 1t9p s THR 5 Ca -0.01 -1.05 -0.29 0.00 -1.21 0.00 0.00 61.69 59.12 1t9p s THR 5 Cb -0.09 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1t9p s THR 5 CO 0.02 0.50 1.52 0.00 -2.21 0.00 0.00 174.62 174.45 1t9p n THR 7 N 5.69 0.69 0.12 0.00 -2.24 -0.17 -0.11 114.28 118.26 1t9p n THR 7 Ca 0.17 0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.74 1t9p n THR 7 Cb 0.44 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 1t9p n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t9p h VAL 8 N 0.00 1.25 0.00 2.28 2.07 -1.91 -3.42 116.25 116.52 1t9p h VAL 8 Ca 0.00 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1t9p h VAL 8 Cb 0.50 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1t9p h VAL 8 CO 0.00 0.80 -0.18 0.00 0.02 0.00 0.00 177.57 178.21 1t9p n GLY 10 N 0.99 0.85 3.51 0.00 0.00 0.84 -5.01 105.19 106.37 1t9p n GLY 10 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1t9p n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1t9p n TYR 11 N -2.00 0.57 -3.66 1.61 9.36 -1.26 -4.54 117.16 117.24 1t9p n TYR 11 Ca 0.00 0.84 -0.38 0.00 3.32 0.00 0.00 57.90 61.68 1t9p n TYR 11 Cb 0.00 -2.13 -0.12 0.00 -0.63 0.00 0.00 39.34 36.46 1t9p n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1t9p s ILE 12 N -0.60 4.57 -0.30 2.97 -1.09 -1.26 -0.31 121.20 125.18 1t9p s ILE 12 Ca 0.70 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.40 1t9p s ILE 12 Cb -0.92 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1t9p s ILE 12 CO 0.56 0.07 1.49 -0.47 -1.23 0.00 0.00 174.94 175.35 1t9p s TYR 13 N 1.61 2.32 -0.32 3.97 5.04 0.41 -4.94 117.35 125.43 1t9p s TYR 13 Ca 0.04 0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 55.26 1t9p s TYR 13 Cb -0.17 -4.05 -0.00 0.00 0.35 0.00 0.00 41.96 38.09 1t9p s TYR 13 CO 0.06 -2.34 0.17 1.21 -1.34 0.00 0.00 175.55 173.31 1t9p s ASN 14 N 3.90 5.62 0.54 4.32 3.04 -1.26 -1.78 114.94 129.31 1t9p s ASN 14 Ca 0.65 -0.57 0.21 0.00 0.04 0.00 0.00 52.86 53.19 1t9p s ASN 14 Cb -0.20 -2.02 1.45 0.00 -1.54 0.00 0.00 41.25 38.95 1t9p s ASN 14 CO 0.28 -0.22 2.18 1.55 -3.04 0.00 0.00 177.10 177.85 1t9p h PRO 15 N 8.37 0.00 0.00 0.43 0.13 -1.80 0.58 132.00 139.71 1t9p h PRO 15 Ca -0.31 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1t9p h PRO 15 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1t9p h PRO 15 CO 0.62 0.01 -0.50 0.93 -0.23 0.00 0.00 178.00 178.83 1t9p h GLU 16 N 0.00 0.00 0.05 0.86 4.39 -1.90 0.62 114.58 118.61 1t9p h GLU 16 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1t9p h GLU 16 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1t9p h GLU 16 CO 0.00 0.50 -1.66 -0.44 -1.16 0.00 0.00 179.01 176.25 1t9p h ASP 17 N 0.00 0.18 0.00 1.42 3.32 -1.44 -3.23 116.42 116.66 1t9p h ASP 17 Ca -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1t9p h ASP 17 Cb 0.91 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1t9p h ASP 17 CO 0.06 1.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.48 1t9p n GLY 18 N 1.65 0.78 2.35 2.75 0.00 0.02 -3.96 105.19 108.78 1t9p n GLY 18 Ca -0.18 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 1t9p n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t9p n ASP 19 N -2.69 -0.70 -0.04 1.61 2.03 0.33 -4.75 116.55 112.34 1t9p n ASP 19 Ca 0.00 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1t9p n ASP 19 Cb 0.00 -0.02 0.30 0.00 -0.72 0.00 0.00 41.12 40.68 1t9p n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1t9p h PRO 20 N 4.24 0.62 -0.31 -0.67 0.13 -1.57 -1.29 132.00 133.15 1t9p h PRO 20 Ca 0.05 -0.10 0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1t9p h PRO 20 Cb 0.92 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1t9p h PRO 20 CO 0.40 0.56 0.38 0.38 -0.23 0.00 0.00 178.00 179.50 1t9p h ASP 21 N 0.61 0.00 0.00 1.44 -0.00 -1.95 -0.03 116.42 116.48 1t9p h ASP 21 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.17 1t9p h ASP 21 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1t9p h ASP 21 CO -0.01 0.00 -0.21 0.59 -0.00 0.00 0.00 179.24 179.62 1t9p n ASN 22 N -3.62 1.94 0.00 4.15 4.13 -0.54 -4.97 115.26 116.35 1t9p n ASN 22 Ca 0.05 -3.18 0.00 0.00 1.68 0.00 0.00 54.58 53.13 1t9p n ASN 22 Cb 0.53 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1t9p n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t9p n GLY 23 N -1.17 0.81 3.29 7.41 0.00 -0.03 -5.02 105.19 110.48 1t9p n GLY 23 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1t9p n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t9p s VAL 24 N -2.09 4.53 0.59 1.61 1.01 -0.88 -4.97 120.40 120.20 1t9p s VAL 24 Ca 0.00 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.43 1t9p s VAL 24 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1t9p s VAL 24 CO 0.00 -0.58 1.17 0.20 0.00 0.00 0.00 175.10 175.89 1t9p s ASN 25 N 2.39 5.33 0.30 3.32 -0.87 -1.26 -0.51 114.94 123.63 1t9p s ASN 25 Ca 0.04 2.26 -0.29 0.00 -1.57 0.00 0.00 52.86 53.30 1t9p s ASN 25 Cb -0.24 -2.59 -0.13 0.00 -0.02 0.00 0.00 41.25 38.27 1t9p s ASN 25 CO 0.03 -1.49 1.27 -2.65 -2.57 0.00 0.00 177.10 171.69 1t9p n PRO 26 N -1.63 1.93 -0.01 -0.60 -0.02 -1.25 -2.16 135.00 131.25 1t9p n PRO 26 Ca 0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1t9p n PRO 26 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1t9p n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t9p n GLY 27 N 1.28 0.26 3.66 -1.23 0.00 0.22 -4.88 105.19 104.49 1t9p n GLY 27 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1t9p n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t9p s THR 28 N -2.06 4.74 0.37 2.61 2.01 -0.92 -4.89 115.64 117.50 1t9p s THR 28 Ca 0.00 1.91 -0.27 0.00 0.31 0.00 0.00 61.69 63.64 1t9p s THR 28 Cb 0.00 -4.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.14 1t9p s THR 28 CO 0.00 -0.11 1.35 -0.67 -0.69 0.00 0.00 174.62 174.50 1t9p n ASP 29 N 5.96 3.05 -0.22 3.53 2.03 -1.26 -4.54 116.55 125.09 1t9p n ASP 29 Ca 0.10 1.19 -0.02 0.00 0.52 0.00 0.00 54.79 56.58 1t9p n ASP 29 Cb 0.47 -1.53 0.09 0.00 -0.72 0.00 0.00 41.12 39.43 1t9p n ASP 29 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1t9p h PHE 30 N 2.56 0.63 -0.00 -0.67 3.57 -1.96 -0.25 116.94 120.82 1t9p h PHE 30 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1t9p h PHE 30 Cb 1.27 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1t9p h PHE 30 CO 0.51 0.30 0.01 -0.22 -2.23 0.00 0.00 178.31 176.67 1t9p h LYS 31 N 0.64 0.00 -0.00 1.11 3.11 -1.97 -1.59 116.57 117.86 1t9p h LYS 31 Ca 0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1t9p h LYS 31 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1t9p h LYS 31 CO -0.18 0.00 -0.55 -0.25 -2.81 0.00 0.00 179.45 175.65 1t9p n ASP 32 N -3.16 0.78 -4.73 4.20 8.00 -0.12 -4.88 116.55 116.63 1t9p n ASP 32 Ca -0.03 -0.58 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 1t9p n ASP 32 Cb 0.08 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1t9p n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t9p s ILE 33 N -2.88 2.32 0.32 0.53 1.01 -0.60 -4.94 121.20 116.95 1t9p s ILE 33 Ca 0.13 0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 1t9p s ILE 33 Cb 0.18 -3.16 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 1t9p s ILE 33 CO 0.69 0.03 1.24 -2.65 0.00 0.00 0.00 174.94 174.26 1t9p n PRO 34 N 3.04 1.95 0.00 2.79 -0.02 -1.26 -4.85 135.00 136.65 1t9p n PRO 34 Ca 0.11 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1t9p n PRO 34 Cb 0.38 -2.23 0.87 0.00 -0.02 0.00 0.00 33.50 32.50 1t9p n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1t9p n ASP 35 N 1.01 0.00 -0.59 2.55 8.00 -1.26 -1.48 116.55 124.78 1t9p n ASP 35 Ca 0.06 -0.78 0.13 0.00 0.71 0.00 0.00 54.79 54.91 1t9p n ASP 35 Cb 0.35 -0.06 0.42 0.00 -0.02 0.00 0.00 41.12 41.81 1t9p n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t9p n ASP 36 N -1.06 1.85 -4.76 -2.24 3.85 -1.26 -4.64 116.55 108.28 1t9p n ASP 36 Ca 0.21 -1.63 -0.39 0.00 -0.71 0.00 0.00 54.79 52.27 1t9p n ASP 36 Cb 0.13 -0.02 0.02 0.00 -1.35 0.00 0.00 41.12 39.90 1t9p n ASP 36 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 1t9p s TRP 37 N -1.97 2.49 0.21 2.11 -0.00 -0.55 -4.95 118.94 116.28 1t9p s TRP 37 Ca 0.36 1.31 0.09 0.00 -0.00 0.00 0.00 56.10 57.85 1t9p s TRP 37 Cb 0.21 -3.85 -0.05 0.00 -0.00 0.00 0.00 33.47 29.78 1t9p s TRP 37 CO 0.32 -2.78 -0.17 0.14 -0.00 0.00 0.00 176.95 174.47 1t9p s VAL 38 N -1.24 1.91 0.02 5.86 -7.23 -1.26 -2.85 120.40 115.61 1t9p s VAL 38 Ca 0.62 -2.18 -0.36 0.00 -1.81 0.00 0.00 61.98 58.26 1t9p s VAL 38 Cb -0.42 -2.05 -0.15 0.00 0.56 0.00 0.00 36.38 34.33 1t9p s VAL 38 CO 0.53 -0.48 1.60 0.00 -0.31 0.00 0.00 175.10 176.44 1t9p h PRO 40 N 6.45 0.00 0.00 0.00 0.13 -1.97 -1.28 132.00 135.33 1t9p h PRO 40 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1t9p h PRO 40 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1t9p h PRO 40 CO 0.88 0.00 -2.37 1.28 -0.23 0.00 0.00 178.00 177.56 1t9p n LEU 41 N -2.92 2.73 -0.00 1.56 4.77 -1.26 -4.75 117.00 117.12 1t9p n LEU 41 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1t9p n LEU 41 Cb 0.14 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1t9p n LEU 41 CO 0.21 0.87 0.04 0.00 -1.33 0.00 0.00 177.39 177.17 1t9p n GLY 43 N 0.86 0.83 3.76 0.00 0.00 -0.48 -4.99 105.19 105.17 1t9p n GLY 43 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1t9p n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t9p s ALA 44 N -3.18 3.21 0.82 4.61 0.00 -1.26 -4.50 121.76 121.45 1t9p s ALA 44 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 1t9p s ALA 44 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1t9p s ALA 44 CO 0.00 -1.19 1.12 -2.30 0.00 0.00 0.00 175.76 173.39 1t9p n PRO 45 N -0.24 0.14 -0.12 0.00 -0.02 -1.26 -0.79 135.00 132.70 1t9p n PRO 45 Ca 0.05 0.12 0.16 0.00 -2.02 0.00 0.00 63.50 61.82 1t9p n PRO 45 Cb 0.42 -2.37 0.55 0.00 -0.02 0.00 0.00 33.50 32.09 1t9p n PRO 45 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1t9p h LYS 46 N -0.95 0.30 0.00 -0.52 3.64 -1.79 -0.31 116.57 116.95 1t9p h LYS 46 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1t9p h LYS 46 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1t9p h LYS 46 CO 0.45 0.20 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 1t9p n ASP 47 N -4.45 0.00 -1.40 4.20 3.85 -1.26 -1.58 116.55 115.90 1t9p n ASP 47 Ca 0.13 -1.56 0.08 0.00 -0.71 0.00 0.00 54.79 52.73 1t9p n ASP 47 Cb 0.54 0.00 0.33 0.00 -1.35 0.00 0.00 41.12 40.63 1t9p n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1t9p n GLN 48 N -0.65 3.74 -3.56 0.11 6.02 -0.13 -4.95 117.38 117.96 1t9p n GLN 48 Ca 0.06 -2.86 -0.26 0.00 -0.01 0.00 0.00 57.00 53.94 1t9p n GLN 48 Cb 0.03 -1.90 -0.02 0.00 1.02 0.00 0.00 30.24 29.37 1t9p n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1t9p s PHE 49 N -2.17 3.48 0.06 1.08 0.40 -0.62 -1.00 117.98 119.21 1t9p s PHE 49 Ca 0.47 0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 57.09 1t9p s PHE 49 Cb 0.33 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 1t9p s PHE 49 CO 0.18 0.27 0.13 -1.83 0.70 0.00 0.00 175.22 174.68 1t9p s GLU 50 N -3.73 0.70 0.37 0.44 -1.05 -0.76 -4.93 118.70 109.75 1t9p s GLU 50 Ca 0.39 -0.85 -0.28 0.00 -0.15 0.00 0.00 54.97 54.08 1t9p s GLU 50 Cb -0.10 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.75 1t9p s GLU 50 CO 0.31 -0.19 1.47 0.39 0.95 0.00 0.00 175.26 178.19 1t9p n GLU 51 N 0.39 2.62 -0.02 -4.83 1.02 -1.26 -0.69 120.64 117.86 1t9p n GLU 51 Ca -0.17 0.92 -0.14 0.00 -0.02 0.00 0.00 57.16 57.75 1t9p n GLU 51 Cb 0.60 -2.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.37 1t9p n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1t9p h VAL 52 N 2.92 1.30 0.00 2.62 2.07 -1.15 -3.44 116.25 120.57 1t9p h VAL 52 Ca -0.50 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1t9p h VAL 52 Cb 1.25 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1t9p h VAL 52 CO 0.64 0.60 0.00 -0.62 0.02 0.00 0.00 177.57 178.21 1t9p n GLU 53 N -3.95 0.00 0.00 1.57 -0.58 -1.25 -5.06 120.64 111.37 1t9p n GLU 53 Ca -0.05 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.81 1t9p n GLU 53 Cb 0.68 -0.39 0.18 0.00 -0.57 0.00 0.00 31.44 31.33 1t9p n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74