#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2j s LYS 2 N 0.00 3.65 0.24 0.03 1.02 -1.26 -4.89 119.74 118.52 1b2j s LYS 2 Ca 0.00 -0.01 -0.23 0.00 0.02 0.00 0.00 55.97 55.75 1b2j s LYS 2 Cb 0.00 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.51 1b2j s LYS 2 CO 0.00 0.31 0.81 0.15 -0.92 0.00 0.00 175.35 175.70 1b2j s LYS 3 N -3.18 4.45 0.09 1.68 1.02 -1.26 -4.59 119.74 117.95 1b2j s LYS 3 Ca 0.43 1.09 0.09 0.00 0.02 0.00 0.00 55.97 57.61 1b2j s LYS 3 Cb -0.11 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1b2j s LYS 3 CO 0.27 0.41 -0.22 0.71 -0.92 0.00 0.00 175.35 175.61 1b2j s TYR 4 N -1.44 2.45 -0.05 3.18 1.51 -0.85 -0.62 117.35 121.53 1b2j s TYR 4 Ca 0.43 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.24 1b2j s TYR 4 Cb -0.19 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 1b2j s TYR 4 CO 0.23 0.31 -0.24 -0.08 -1.11 0.00 0.00 175.55 174.66 1b2j s THR 5 N -1.02 1.97 -0.19 -0.71 -1.32 -0.08 0.18 115.64 114.47 1b2j s THR 5 Ca 0.15 -1.03 -0.29 0.00 -1.21 0.00 0.00 61.69 59.31 1b2j s THR 5 Cb -0.10 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1b2j s THR 5 CO 0.07 0.55 1.76 0.00 -2.21 0.00 0.00 174.62 174.79 1b2j n THR 7 N 6.57 0.37 0.07 0.00 -2.24 -0.23 -0.72 114.28 118.10 1b2j n THR 7 Ca 0.21 0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.85 1b2j n THR 7 Cb 0.45 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 1b2j n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1b2j h VAL 8 N 0.00 1.14 0.00 2.28 2.07 -1.91 -3.43 116.25 116.40 1b2j h VAL 8 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1b2j h VAL 8 Cb 0.38 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1b2j h VAL 8 CO 0.00 0.79 0.00 0.00 0.02 0.00 0.00 177.57 178.38 1b2j n GLY 10 N 0.19 1.03 3.61 0.00 0.00 0.10 -5.04 105.19 105.08 1b2j n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1b2j n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b2j n TYR 11 N -2.00 1.20 -4.06 1.61 9.36 -1.26 -4.63 117.16 117.38 1b2j n TYR 11 Ca 0.00 0.59 -0.34 0.00 3.32 0.00 0.00 57.90 61.47 1b2j n TYR 11 Cb 0.00 -2.24 -0.14 0.00 -0.63 0.00 0.00 39.34 36.33 1b2j n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1b2j s ILE 12 N -1.22 3.18 -0.27 2.97 1.09 -1.26 -0.62 121.20 125.07 1b2j s ILE 12 Ca 0.62 -0.57 -0.24 0.00 -1.10 0.00 0.00 60.65 59.36 1b2j s ILE 12 Cb -0.59 -2.42 -0.00 0.00 -1.06 0.00 0.00 42.46 38.39 1b2j s ILE 12 CO 0.58 0.45 0.82 -0.47 -0.10 0.00 0.00 174.94 176.23 1b2j s TYR 13 N 1.27 3.26 -0.29 3.97 5.04 0.13 -4.97 117.35 125.76 1b2j s TYR 13 Ca 0.03 1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 55.61 1b2j s TYR 13 Cb -0.14 -3.14 -0.00 0.00 0.35 0.00 0.00 41.96 39.02 1b2j s TYR 13 CO -0.03 -0.48 0.08 1.21 -1.34 0.00 0.00 175.55 174.99 1b2j s ASN 14 N 1.46 5.14 0.56 4.32 3.84 -1.26 -2.01 114.94 126.99 1b2j s ASN 14 Ca 0.34 -0.59 0.25 0.00 0.21 0.00 0.00 52.86 53.08 1b2j s ASN 14 Cb -0.15 -1.90 1.62 0.00 -0.55 0.00 0.00 41.25 40.28 1b2j s ASN 14 CO 0.10 -0.16 2.22 1.55 -2.79 0.00 0.00 177.10 178.02 1b2j h PRO 15 N 8.24 0.00 -0.14 0.43 0.13 -1.82 -0.01 132.00 138.84 1b2j h PRO 15 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1b2j h PRO 15 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1b2j h PRO 15 CO 0.60 0.00 -0.21 0.93 -0.23 0.00 0.00 178.00 179.10 1b2j h GLU 16 N 0.00 0.23 0.05 0.86 5.08 -1.94 0.30 114.58 119.17 1b2j h GLU 16 Ca -0.00 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 1b2j h GLU 16 Cb 0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1b2j h GLU 16 CO 0.00 0.44 -1.94 -0.25 -1.00 0.00 0.00 179.01 176.25 1b2j n ASP 17 N -4.21 1.42 0.00 1.42 8.00 -0.28 -4.26 116.55 118.64 1b2j n ASP 17 Ca -0.01 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1b2j n ASP 17 Cb 0.32 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1b2j n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b2j n GLY 18 N 1.81 0.36 2.33 0.44 0.00 -0.18 -4.17 105.19 105.79 1b2j n GLY 18 Ca -0.27 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1b2j n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b2j n ASP 19 N -1.79 -0.30 0.08 1.61 2.03 0.28 -4.72 116.55 113.74 1b2j n ASP 19 Ca 0.00 -3.02 0.09 0.00 0.52 0.00 0.00 54.79 52.38 1b2j n ASP 19 Cb 0.00 0.02 0.56 0.00 -0.72 0.00 0.00 41.12 40.98 1b2j n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1b2j h PRO 20 N 3.49 0.23 0.00 -0.67 0.13 -1.61 -1.58 132.00 131.99 1b2j h PRO 20 Ca 0.03 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1b2j h PRO 20 Cb 0.96 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1b2j h PRO 20 CO 0.42 0.15 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.83 1b2j h ASP 21 N 0.24 0.00 -0.46 1.44 3.32 -1.96 -1.32 116.42 117.69 1b2j h ASP 21 Ca 0.13 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1b2j h ASP 21 Cb 0.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 1b2j h ASP 21 CO -0.02 0.06 0.09 0.59 -1.72 0.00 0.00 179.24 178.24 1b2j n ASN 22 N -3.97 3.72 0.00 6.45 3.02 -0.88 -4.97 115.26 118.63 1b2j n ASN 22 Ca -0.03 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 1b2j n ASN 22 Cb 0.15 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1b2j n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b2j n GLY 23 N -0.63 0.69 3.31 7.41 0.00 -0.50 -5.01 105.19 110.46 1b2j n GLY 23 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1b2j n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2j s VAL 24 N -2.33 4.66 0.63 1.61 1.01 -0.65 -4.96 120.40 120.36 1b2j s VAL 24 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 1b2j s VAL 24 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1b2j s VAL 24 CO 0.00 -0.57 1.06 0.20 0.00 0.00 0.00 175.10 175.79 1b2j s ASN 25 N 2.42 5.62 0.31 3.32 -0.87 -1.26 -0.55 114.94 123.92 1b2j s ASN 25 Ca 0.04 1.75 -0.27 0.00 -1.57 0.00 0.00 52.86 52.80 1b2j s ASN 25 Cb -0.24 -2.52 -0.14 0.00 -0.02 0.00 0.00 41.25 38.33 1b2j s ASN 25 CO 0.04 -1.28 0.99 -2.65 -2.57 0.00 0.00 177.10 171.62 1b2j n PRO 26 N -2.42 1.31 -0.49 -0.60 -0.02 -1.26 -2.54 135.00 128.98 1b2j n PRO 26 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1b2j n PRO 26 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1b2j n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2j n GLY 27 N 1.24 0.75 3.64 -1.23 0.00 0.11 -4.92 105.19 104.78 1b2j n GLY 27 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1b2j n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b2j s THR 28 N -2.39 4.96 0.46 2.61 2.01 -1.05 -5.00 115.64 117.23 1b2j s THR 28 Ca 0.00 1.25 -0.24 0.00 0.31 0.00 0.00 61.69 63.01 1b2j s THR 28 Cb 0.00 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 1b2j s THR 28 CO 0.00 0.03 1.26 -0.62 -0.69 0.00 0.00 174.62 174.60 1b2j s ASP 29 N 1.36 6.00 0.38 3.53 -1.08 -1.26 -4.63 116.67 120.98 1b2j s ASP 29 Ca 0.29 2.55 0.10 0.00 -0.52 0.00 0.00 52.55 54.97 1b2j s ASP 29 Cb -0.16 -2.62 0.87 0.00 -1.46 0.00 0.00 42.92 39.55 1b2j s ASP 29 CO 0.09 -1.05 1.92 0.15 0.52 0.00 0.00 175.17 176.80 1b2j h PHE 30 N 2.14 0.67 0.00 -5.34 3.57 -1.97 -0.98 116.94 115.04 1b2j h PHE 30 Ca -0.50 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1b2j h PHE 30 Cb 1.26 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1b2j h PHE 30 CO 0.51 0.30 -0.16 1.57 -2.23 0.00 0.00 178.31 178.30 1b2j h LYS 31 N 0.61 0.00 -0.00 1.11 2.10 -1.98 -2.48 116.57 115.93 1b2j h LYS 31 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1b2j h LYS 31 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1b2j h LYS 31 CO -0.13 0.16 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.89 1b2j n ASP 32 N -3.92 0.49 -4.73 7.07 8.00 -0.38 -4.86 116.55 118.24 1b2j n ASP 32 Ca -0.02 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 1b2j n ASP 32 Cb 0.25 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1b2j n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b2j s ILE 33 N -2.86 2.51 0.25 0.53 1.01 -0.93 -4.91 121.20 116.80 1b2j s ILE 33 Ca 0.16 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 1b2j s ILE 33 Cb 0.18 -3.25 -0.15 0.00 0.01 0.00 0.00 42.46 39.26 1b2j s ILE 33 CO 0.62 0.04 0.98 -2.65 0.00 0.00 0.00 174.94 173.93 1b2j n PRO 34 N 3.46 1.14 0.00 2.79 -0.02 -1.26 -4.83 135.00 136.28 1b2j n PRO 34 Ca 0.12 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1b2j n PRO 34 Cb 0.38 -1.75 0.60 0.00 -0.02 0.00 0.00 33.50 32.72 1b2j n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b2j n ASP 35 N 1.49 0.00 -1.22 2.55 8.00 -1.26 -1.60 116.55 124.51 1b2j n ASP 35 Ca 0.12 -0.67 0.12 0.00 0.71 0.00 0.00 54.79 55.07 1b2j n ASP 35 Cb 0.29 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.67 1b2j n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1b2j n ASP 36 N -0.99 3.57 -4.77 -2.24 5.75 -1.26 -4.78 116.55 111.83 1b2j n ASP 36 Ca 0.15 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.57 1b2j n ASP 36 Cb 0.07 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1b2j n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1b2j s TRP 37 N -1.27 3.36 0.14 2.11 -0.00 -0.63 -5.04 118.94 117.62 1b2j s TRP 37 Ca 0.43 1.66 0.07 0.00 -0.00 0.00 0.00 56.10 58.26 1b2j s TRP 37 Cb 0.24 -3.20 -0.04 0.00 -0.00 0.00 0.00 33.47 30.46 1b2j s TRP 37 CO 0.32 -0.65 -0.17 0.14 -0.00 0.00 0.00 176.95 176.59 1b2j s VAL 38 N -1.46 1.62 0.15 5.86 -7.23 -1.26 -3.86 120.40 114.21 1b2j s VAL 38 Ca 0.53 -1.82 -0.34 0.00 -1.81 0.00 0.00 61.98 58.53 1b2j s VAL 38 Cb -0.26 -1.71 -0.15 0.00 0.56 0.00 0.00 36.38 34.82 1b2j s VAL 38 CO 0.33 -0.34 1.44 0.00 -0.31 0.00 0.00 175.10 176.21 1b2j h PRO 40 N 5.01 0.00 0.08 0.00 0.13 -1.97 -0.64 132.00 134.60 1b2j h PRO 40 Ca -0.46 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 1b2j h PRO 40 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1b2j h PRO 40 CO 0.82 0.12 -2.11 1.28 -0.23 0.00 0.00 178.00 177.88 1b2j n LEU 41 N -3.79 2.67 -0.05 1.56 4.77 -1.26 -4.69 117.00 116.20 1b2j n LEU 41 Ca -0.02 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1b2j n LEU 41 Cb 0.22 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1b2j n LEU 41 CO 0.31 0.83 0.16 0.00 -1.33 0.00 0.00 177.39 177.36 1b2j n ALA 43 N -0.38 -0.25 -2.31 0.00 0.00 -0.25 -4.95 120.51 112.36 1b2j n ALA 43 Ca 0.01 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 1b2j n ALA 43 Cb 0.04 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 1b2j n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1b2j s VAL 44 N -2.52 4.92 0.97 0.00 -7.23 -1.26 -4.61 120.40 110.67 1b2j s VAL 44 Ca 0.00 0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 1b2j s VAL 44 Cb 0.00 -3.84 0.18 0.00 0.56 0.00 0.00 36.38 33.28 1b2j s VAL 44 CO 0.00 -0.74 1.21 -0.83 -0.31 0.00 0.00 175.10 174.43 1b2j s GLY 45 N -3.91 1.66 0.58 2.32 0.00 -1.26 -0.36 107.32 106.35 1b2j s GLY 45 Ca 0.47 -0.89 0.27 0.00 0.00 0.00 0.00 44.72 44.57 1b2j s GLY 45 CO 0.41 -0.20 2.09 0.50 0.00 0.00 0.00 173.10 175.90 1b2j h LYS 46 N -1.70 0.00 0.00 2.90 1.57 -1.87 -2.53 116.57 114.94 1b2j h LYS 46 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1b2j h LYS 46 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1b2j h LYS 46 CO 0.48 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.96 1b2j n ASP 47 N -3.92 0.00 -1.37 0.86 5.75 -1.26 -1.49 116.55 115.12 1b2j n ASP 47 Ca 0.02 0.34 0.11 0.00 -0.01 0.00 0.00 54.79 55.25 1b2j n ASP 47 Cb 0.35 -0.42 0.32 0.00 -1.03 0.00 0.00 41.12 40.34 1b2j n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b2j n GLN 48 N -1.42 3.04 -3.88 0.11 1.13 -0.95 -4.94 117.38 110.47 1b2j n GLN 48 Ca 0.05 -2.70 -0.29 0.00 -1.94 0.00 0.00 57.00 52.12 1b2j n GLN 48 Cb 0.15 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 1b2j n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1b2j s PHE 49 N -1.26 3.50 0.03 1.08 0.40 -0.55 -1.06 117.98 120.11 1b2j s PHE 49 Ca 0.48 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1b2j s PHE 49 Cb 0.27 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1b2j s PHE 49 CO 0.30 0.53 -0.06 -1.21 0.70 0.00 0.00 175.22 175.48 1b2j s GLU 50 N -2.87 0.42 0.35 0.44 2.02 -0.61 -4.93 118.70 113.51 1b2j s GLU 50 Ca 0.36 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.42 1b2j s GLU 50 Cb -0.12 -0.14 -0.11 0.00 0.10 0.00 0.00 34.13 33.86 1b2j s GLU 50 CO 0.28 0.01 1.50 0.39 0.02 0.00 0.00 175.26 177.46 1b2j n GLU 51 N 1.67 2.61 -2.93 1.61 1.02 -1.26 -0.90 120.64 122.46 1b2j n GLU 51 Ca -0.22 0.92 -0.44 0.00 -0.02 0.00 0.00 57.16 57.40 1b2j n GLU 51 Cb 0.55 -2.65 -0.04 0.00 -0.02 0.00 0.00 31.44 29.29 1b2j n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b2j s VAL 52 N -0.78 4.56 0.20 2.62 1.01 0.21 -4.80 120.40 123.42 1b2j s VAL 52 Ca 0.57 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1b2j s VAL 52 Cb -0.49 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.16 1b2j s VAL 52 CO 0.59 -1.41 0.41 -0.70 0.00 0.00 0.00 175.10 173.99 1b2j s GLU 53 N 3.32 3.56 0.00 2.72 2.56 -1.26 -4.50 118.70 125.10 1b2j s GLU 53 Ca 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.97 1b2j s GLU 53 Cb -0.14 -2.81 0.00 0.00 2.00 0.00 0.00 34.13 33.17 1b2j s GLU 53 CO 0.03 0.39 0.00 -0.85 -0.56 0.00 0.00 175.26 174.27