#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0f s LYS 2 N 0.00 3.81 0.48 0.03 -0.14 -1.26 -4.90 119.74 117.77 1r0f s LYS 2 Ca 0.00 0.26 -0.19 0.00 -1.36 0.00 0.00 55.97 54.67 1r0f s LYS 2 Cb 0.00 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.28 1r0f s LYS 2 CO 0.00 0.41 1.00 0.15 -0.76 0.00 0.00 175.35 176.15 1r0f s LYS 3 N -2.48 3.91 0.02 1.68 1.02 -1.26 -4.60 119.74 118.04 1r0f s LYS 3 Ca 0.42 1.20 0.06 0.00 0.02 0.00 0.00 55.97 57.67 1r0f s LYS 3 Cb -0.13 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 1r0f s LYS 3 CO 0.21 -0.32 -0.18 0.71 -0.92 0.00 0.00 175.35 174.86 1r0f s TYR 4 N -2.20 1.55 -0.02 3.18 1.51 -0.89 -0.73 117.35 119.75 1r0f s TYR 4 Ca 0.64 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.41 1r0f s TYR 4 Cb -0.13 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1r0f s TYR 4 CO 0.21 0.03 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.44 1r0f s THR 5 N -0.66 2.87 -0.26 -0.71 -1.32 -0.25 -0.18 115.64 115.13 1r0f s THR 5 Ca 0.06 -0.88 -0.29 0.00 -1.21 0.00 0.00 61.69 59.36 1r0f s THR 5 Cb -0.08 -2.13 -0.01 0.00 -1.51 0.00 0.00 72.50 68.77 1r0f s THR 5 CO 0.01 0.53 1.38 0.00 -2.21 0.00 0.00 174.62 174.33 1r0f n THR 7 N 6.17 0.07 0.00 0.00 -2.24 -0.35 -0.81 114.28 117.13 1r0f n THR 7 Ca 0.16 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.74 1r0f n THR 7 Cb 0.46 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1r0f n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r0f h VAL 8 N 0.00 0.96 0.00 2.28 2.07 -1.91 -3.43 116.25 116.22 1r0f h VAL 8 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1r0f h VAL 8 Cb 0.25 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1r0f h VAL 8 CO 0.00 0.71 -0.44 0.00 0.02 0.00 0.00 177.57 177.86 1r0f n GLY 10 N 1.64 0.52 3.60 0.00 0.00 0.01 -5.05 105.19 105.92 1r0f n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1r0f n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r0f n TYR 11 N -2.00 1.37 -4.20 1.61 9.36 -1.26 -4.66 117.16 117.38 1r0f n TYR 11 Ca 0.00 0.69 -0.34 0.00 3.32 0.00 0.00 57.90 61.57 1r0f n TYR 11 Cb 0.00 -2.27 -0.14 0.00 -0.63 0.00 0.00 39.34 36.31 1r0f n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1r0f s ILE 12 N -1.04 3.37 -0.24 2.97 -1.09 -1.26 -0.64 121.20 123.27 1r0f s ILE 12 Ca 0.59 -0.51 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 1r0f s ILE 12 Cb -0.69 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1r0f s ILE 12 CO 0.60 0.46 0.87 -0.47 -1.23 0.00 0.00 174.94 175.17 1r0f s TYR 13 N 1.01 3.32 -0.29 3.97 5.04 0.74 -4.96 117.35 126.18 1r0f s TYR 13 Ca 0.00 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.78 1r0f s TYR 13 Cb -0.15 -3.09 0.02 0.00 0.35 0.00 0.00 41.96 39.10 1r0f s TYR 13 CO -0.00 -0.42 0.04 1.21 -1.34 0.00 0.00 175.55 175.04 1r0f s ASN 14 N 1.31 4.91 0.54 4.32 3.84 -1.26 -2.09 114.94 126.52 1r0f s ASN 14 Ca 0.37 -0.88 0.24 0.00 0.21 0.00 0.00 52.86 52.80 1r0f s ASN 14 Cb -0.15 -1.80 1.53 0.00 -0.55 0.00 0.00 41.25 40.28 1r0f s ASN 14 CO 0.07 -0.20 2.16 1.55 -2.79 0.00 0.00 177.10 177.89 1r0f h PRO 15 N 8.15 0.00 -0.25 0.43 0.13 -1.82 -0.56 132.00 138.08 1r0f h PRO 15 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1r0f h PRO 15 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1r0f h PRO 15 CO 0.59 0.05 0.13 0.93 -0.23 0.00 0.00 178.00 179.46 1r0f h GLU 16 N 0.00 0.33 0.00 0.86 5.08 -1.94 0.27 114.58 119.18 1r0f h GLU 16 Ca -0.00 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 1r0f h GLU 16 Cb 0.11 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1r0f h GLU 16 CO 0.01 0.26 -2.04 -0.25 -1.00 0.00 0.00 179.01 175.98 1r0f n ASP 17 N -4.46 0.31 0.00 1.42 8.00 -0.33 -4.23 116.55 117.25 1r0f n ASP 17 Ca 0.01 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1r0f n ASP 17 Cb 0.10 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1r0f n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r0f n GLY 18 N 1.59 0.53 2.22 0.44 0.00 -0.55 -4.12 105.19 105.29 1r0f n GLY 18 Ca -0.22 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1r0f n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r0f n ASP 19 N -2.31 0.11 0.26 1.61 2.03 0.27 -4.71 116.55 113.80 1r0f n ASP 19 Ca 0.00 -2.76 0.09 0.00 0.52 0.00 0.00 54.79 52.63 1r0f n ASP 19 Cb 0.00 -0.52 0.65 0.00 -0.72 0.00 0.00 41.12 40.53 1r0f n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r0f h PRO 20 N 3.87 0.00 0.00 -0.67 0.13 -1.60 -1.79 132.00 131.94 1r0f h PRO 20 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1r0f h PRO 20 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1r0f h PRO 20 CO 0.46 0.05 -0.11 -0.44 -0.23 0.00 0.00 178.00 177.73 1r0f h ASP 21 N 0.00 0.00 -0.35 1.44 3.32 -1.96 -1.83 116.42 117.04 1r0f h ASP 21 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1r0f h ASP 21 Cb 0.09 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1r0f h ASP 21 CO 0.01 0.11 0.02 0.59 -1.72 0.00 0.00 179.24 178.25 1r0f n ASN 22 N -3.52 3.68 0.00 6.45 3.02 -0.73 -4.97 115.26 119.18 1r0f n ASN 22 Ca -0.01 -3.23 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1r0f n ASN 22 Cb 0.25 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1r0f n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r0f n GLY 23 N -0.62 0.53 3.38 7.41 0.00 -0.69 -5.01 105.19 110.19 1r0f n GLY 23 Ca 0.27 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1r0f n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0f s VAL 24 N -2.00 4.77 0.55 1.61 1.01 -0.83 -4.96 120.40 120.55 1r0f s VAL 24 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1r0f s VAL 24 Cb 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1r0f s VAL 24 CO 0.00 -0.34 1.01 0.20 0.00 0.00 0.00 175.10 175.97 1r0f s ASN 25 N 1.80 6.35 0.35 3.32 -0.87 -1.26 -0.57 114.94 124.06 1r0f s ASN 25 Ca 0.03 1.63 -0.26 0.00 -1.57 0.00 0.00 52.86 52.68 1r0f s ASN 25 Cb -0.20 -2.51 -0.13 0.00 -0.02 0.00 0.00 41.25 38.39 1r0f s ASN 25 CO 0.07 -0.78 0.98 -2.65 -2.57 0.00 0.00 177.10 172.15 1r0f n PRO 26 N -1.81 1.31 -0.59 -0.60 -0.02 -1.26 -2.53 135.00 129.51 1r0f n PRO 26 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r0f n PRO 26 Cb 0.54 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1r0f n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0f n GLY 27 N 1.24 0.73 3.62 -1.23 0.00 0.96 -4.92 105.19 105.59 1r0f n GLY 27 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1r0f n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0f s THR 28 N -2.31 5.01 0.41 2.61 2.01 -1.05 -5.01 115.64 117.31 1r0f s THR 28 Ca 0.00 1.03 -0.27 0.00 0.31 0.00 0.00 61.69 62.76 1r0f s THR 28 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1r0f s THR 28 CO 0.00 0.04 1.41 -0.62 -0.69 0.00 0.00 174.62 174.76 1r0f s ASP 29 N 1.51 6.19 0.29 3.53 -1.08 -1.26 -4.63 116.67 121.22 1r0f s ASP 29 Ca 0.24 2.89 0.05 0.00 -0.52 0.00 0.00 52.55 55.20 1r0f s ASP 29 Cb -0.16 -2.65 0.73 0.00 -1.46 0.00 0.00 42.92 39.38 1r0f s ASP 29 CO 0.09 -0.95 1.73 0.15 0.52 0.00 0.00 175.17 176.70 1r0f h PHE 30 N 2.71 0.83 0.00 -5.34 3.57 -1.96 -1.05 116.94 115.69 1r0f h PHE 30 Ca -0.50 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1r0f h PHE 30 Cb 1.25 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1r0f h PHE 30 CO 0.52 0.07 -0.02 1.57 -2.23 0.00 0.00 178.31 178.22 1r0f h LYS 31 N 0.55 0.00 -0.01 1.11 2.10 -1.99 -2.39 116.57 115.94 1r0f h LYS 31 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1r0f h LYS 31 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1r0f h LYS 31 CO -0.46 0.02 -0.26 -0.25 -2.00 0.00 0.00 179.45 176.51 1r0f n ASP 32 N -4.31 1.30 -4.74 7.07 8.00 -0.41 -4.86 116.55 118.60 1r0f n ASP 32 Ca -0.03 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 1r0f n ASP 32 Cb 0.11 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1r0f n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r0f s ILE 33 N -2.43 2.59 0.30 0.53 1.01 -0.90 -4.93 121.20 117.37 1r0f s ILE 33 Ca 0.25 0.47 -0.28 0.00 0.00 0.00 0.00 60.65 61.08 1r0f s ILE 33 Cb 0.19 -3.30 -0.13 0.00 0.01 0.00 0.00 42.46 39.23 1r0f s ILE 33 CO 0.50 0.06 1.12 -2.65 0.00 0.00 0.00 174.94 173.97 1r0f n PRO 34 N 2.84 1.62 0.00 2.79 -0.02 -1.26 -4.83 135.00 136.15 1r0f n PRO 34 Ca 0.09 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1r0f n PRO 34 Cb 0.39 -2.02 0.65 0.00 -0.02 0.00 0.00 33.50 32.51 1r0f n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r0f n ASP 35 N 1.11 0.00 -0.99 2.55 8.00 -1.26 -1.68 116.55 124.28 1r0f n ASP 35 Ca 0.08 -0.91 0.12 0.00 0.71 0.00 0.00 54.79 54.78 1r0f n ASP 35 Cb 0.33 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.57 1r0f n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1r0f n ASP 36 N -0.93 3.10 -4.77 -2.24 5.75 -1.26 -4.76 116.55 111.44 1r0f n ASP 36 Ca 0.16 -1.97 -0.38 0.00 -0.01 0.00 0.00 54.79 52.59 1r0f n ASP 36 Cb 0.08 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1r0f n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1r0f s TRP 37 N -1.76 2.83 0.21 2.11 -0.00 -0.68 -5.03 118.94 116.63 1r0f s TRP 37 Ca 0.31 1.49 0.08 0.00 -0.00 0.00 0.00 56.10 57.97 1r0f s TRP 37 Cb 0.20 -3.51 -0.05 0.00 -0.00 0.00 0.00 33.47 30.11 1r0f s TRP 37 CO 0.30 -1.79 -0.14 0.14 -0.00 0.00 0.00 176.95 175.45 1r0f s VAL 38 N -1.41 1.74 -0.03 5.86 -7.23 -1.26 -3.76 120.40 114.32 1r0f s VAL 38 Ca 0.61 -2.21 -0.34 0.00 -1.81 0.00 0.00 61.98 58.23 1r0f s VAL 38 Cb -0.33 -2.09 -0.13 0.00 0.56 0.00 0.00 36.38 34.39 1r0f s VAL 38 CO 0.41 -0.56 1.78 0.00 -0.31 0.00 0.00 175.10 176.42 1r0f h PRO 40 N 8.16 0.00 0.04 0.00 0.13 -1.97 -0.51 132.00 137.86 1r0f h PRO 40 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1r0f h PRO 40 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1r0f h PRO 40 CO 0.93 0.00 -2.28 1.28 -0.23 0.00 0.00 178.00 177.70 1r0f n LEU 41 N -2.82 2.60 0.00 1.56 4.77 -1.26 -4.76 117.00 117.09 1r0f n LEU 41 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1r0f n LEU 41 Cb 0.16 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1r0f n LEU 41 CO 0.20 0.86 0.02 0.00 -1.33 0.00 0.00 177.39 177.15 1r0f n GLY 43 N 0.88 0.79 3.88 0.00 0.00 -0.20 -4.98 105.19 105.56 1r0f n GLY 43 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r0f n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r0f s VAL 44 N -3.01 4.75 0.98 1.61 -7.23 -1.26 -4.59 120.40 111.66 1r0f s VAL 44 Ca 0.00 0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 1r0f s VAL 44 Cb 0.00 -3.85 0.18 0.00 0.56 0.00 0.00 36.38 33.26 1r0f s VAL 44 CO 0.00 -1.02 1.14 -0.83 -0.31 0.00 0.00 175.10 174.08 1r0f s GLY 45 N -4.05 1.59 0.54 2.32 0.00 -1.26 -0.64 107.32 105.83 1r0f s GLY 45 Ca 0.53 -0.62 0.23 0.00 0.00 0.00 0.00 44.72 44.86 1r0f s GLY 45 CO 0.49 0.02 2.09 0.50 0.00 0.00 0.00 173.10 176.20 1r0f h LYS 46 N -1.77 0.00 0.00 2.90 1.57 -1.86 -2.59 116.57 114.82 1r0f h LYS 46 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1r0f h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1r0f h LYS 46 CO 0.55 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.03 1r0f n ASP 47 N -4.27 0.00 -1.27 0.86 5.68 -1.26 -1.52 116.55 114.77 1r0f n ASP 47 Ca 0.03 0.33 0.12 0.00 -0.50 0.00 0.00 54.79 54.76 1r0f n ASP 47 Cb 0.34 -0.40 0.28 0.00 -1.14 0.00 0.00 41.12 40.19 1r0f n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r0f n GLN 48 N -1.40 2.64 -3.65 0.11 1.13 -0.97 -4.95 117.38 110.29 1r0f n GLN 48 Ca 0.04 -2.51 -0.31 0.00 -1.94 0.00 0.00 57.00 52.28 1r0f n GLN 48 Cb 0.11 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 1r0f n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r0f s PHE 49 N -1.20 3.47 0.02 1.08 0.40 -0.58 -1.21 117.98 119.97 1r0f s PHE 49 Ca 0.45 0.57 0.03 0.00 -0.60 0.00 0.00 56.93 57.38 1r0f s PHE 49 Cb 0.24 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1r0f s PHE 49 CO 0.33 0.41 -0.09 -1.83 0.70 0.00 0.00 175.22 174.74 1r0f s GLU 50 N -2.71 0.63 0.24 0.44 -1.05 -0.55 -4.93 118.70 110.77 1r0f s GLU 50 Ca 0.42 -0.56 -0.31 0.00 -0.15 0.00 0.00 54.97 54.37 1r0f s GLU 50 Cb -0.12 -0.55 -0.14 0.00 -0.44 0.00 0.00 34.13 32.89 1r0f s GLU 50 CO 0.25 0.13 1.28 -1.91 0.95 0.00 0.00 175.26 175.96 1r0f n GLU 51 N 2.12 1.76 -3.03 -4.83 2.13 -1.26 -1.09 120.64 116.45 1r0f n GLU 51 Ca -0.18 0.62 -0.42 0.00 0.66 0.00 0.00 57.16 57.85 1r0f n GLU 51 Cb 0.56 -2.20 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 1r0f n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1r0f s VAL 52 N -0.35 4.83 -1.48 6.31 1.01 0.09 -4.83 120.40 125.98 1r0f s VAL 52 Ca 0.66 0.86 0.12 0.00 0.00 0.00 0.00 61.98 63.62 1r0f s VAL 52 Cb -0.69 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 31.66 1r0f s VAL 52 CO 0.53 -0.31 0.87 -0.62 0.00 0.00 0.00 175.10 175.58