#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2o s LYS 2 N 0.00 3.68 0.54 0.03 -0.14 -1.26 -4.94 119.74 117.65 1b2o s LYS 2 Ca 0.00 0.06 -0.18 0.00 -1.36 0.00 0.00 55.97 54.49 1b2o s LYS 2 Cb 0.00 -2.71 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 1b2o s LYS 2 CO 0.00 0.33 1.03 0.15 -0.76 0.00 0.00 175.35 176.10 1b2o s LYS 3 N -3.03 3.62 -0.08 1.68 1.02 -1.26 -4.60 119.74 117.10 1b2o s LYS 3 Ca 0.44 1.21 0.03 0.00 0.02 0.00 0.00 55.97 57.67 1b2o s LYS 3 Cb -0.11 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1b2o s LYS 3 CO 0.25 -0.56 -0.17 0.71 -0.92 0.00 0.00 175.35 174.66 1b2o s TYR 4 N -2.32 1.88 -0.12 3.18 1.51 -0.88 -0.87 117.35 119.74 1b2o s TYR 4 Ca 0.64 -0.72 -0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1b2o s TYR 4 Cb -0.15 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1b2o s TYR 4 CO 0.29 -0.32 0.04 -0.08 -1.11 0.00 0.00 175.55 174.37 1b2o s THR 5 N 0.49 4.61 0.06 -0.71 -1.32 0.60 0.04 115.64 119.42 1b2o s THR 5 Ca -0.15 -0.12 -0.31 0.00 -1.21 0.00 0.00 61.69 59.90 1b2o s THR 5 Cb -0.16 -2.99 -0.07 0.00 -1.51 0.00 0.00 72.50 67.77 1b2o s THR 5 CO 0.06 0.57 1.40 0.00 -2.21 0.00 0.00 174.62 174.44 1b2o n THR 7 N 4.28 0.02 -0.08 0.00 -2.24 -0.24 -3.65 114.28 112.38 1b2o n THR 7 Ca 0.12 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1b2o n THR 7 Cb 0.43 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 1b2o n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b2o n VAL 8 N -1.17 1.03 -4.14 2.28 0.31 -1.26 -5.06 118.33 110.32 1b2o n VAL 8 Ca 0.18 -0.59 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1b2o n VAL 8 Cb 0.18 -0.71 -0.04 0.00 -0.91 0.00 0.00 33.84 32.36 1b2o n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b2o n VAL 10 N -0.36 0.02 -1.88 0.00 0.24 -1.26 -4.46 118.33 110.63 1b2o n VAL 10 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.93 1b2o n VAL 10 Cb 0.35 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.19 1b2o n VAL 10 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1b2o s TYR 11 N -2.37 2.80 -0.12 6.34 5.04 -1.26 -4.90 117.35 122.87 1b2o s TYR 11 Ca 0.34 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1b2o s TYR 11 Cb 0.20 -3.95 0.01 0.00 0.35 0.00 0.00 41.96 38.57 1b2o s TYR 11 CO 0.42 -3.00 -0.18 0.42 -1.34 0.00 0.00 175.55 171.87 1b2o s ILE 12 N -0.48 1.72 -0.17 3.14 1.01 -1.26 -1.64 121.20 123.50 1b2o s ILE 12 Ca 0.57 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1b2o s ILE 12 Cb -0.45 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 1b2o s ILE 12 CO 0.52 0.48 1.08 -0.47 0.00 0.00 0.00 174.94 176.56 1b2o s TYR 13 N 0.86 3.29 -0.35 3.97 5.04 0.11 -4.95 117.35 125.32 1b2o s TYR 13 Ca -0.08 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 55.90 1b2o s TYR 13 Cb -0.15 -3.30 0.06 0.00 0.35 0.00 0.00 41.96 38.91 1b2o s TYR 13 CO -0.00 -0.69 0.11 1.21 -1.34 0.00 0.00 175.55 174.84 1b2o s ASN 14 N 1.32 5.23 0.60 4.32 3.84 -1.26 -2.06 114.94 126.93 1b2o s ASN 14 Ca 0.48 -1.34 0.30 0.00 0.21 0.00 0.00 52.86 52.51 1b2o s ASN 14 Cb -0.18 -1.83 1.74 0.00 -0.55 0.00 0.00 41.25 40.42 1b2o s ASN 14 CO 0.12 -0.36 2.13 1.55 -2.79 0.00 0.00 177.10 177.74 1b2o h PRO 15 N 8.16 0.00 -0.27 0.43 0.13 -1.81 0.65 132.00 139.29 1b2o h PRO 15 Ca -0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.82 1b2o h PRO 15 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1b2o h PRO 15 CO 0.61 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 179.04 1b2o h GLU 16 N 0.00 0.52 0.04 0.86 4.39 -1.94 0.47 114.58 118.93 1b2o h GLU 16 Ca 0.07 -0.21 -0.28 0.00 0.34 0.00 0.00 59.36 59.27 1b2o h GLU 16 Cb 0.41 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1b2o h GLU 16 CO -0.00 0.75 -1.54 -0.44 -1.16 0.00 0.00 179.01 176.62 1b2o h ASP 17 N 0.46 0.12 0.00 1.42 3.32 -1.41 -3.34 116.42 116.99 1b2o h ASP 17 Ca 0.06 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1b2o h ASP 17 Cb 0.71 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1b2o h ASP 17 CO 0.05 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.36 1b2o n GLY 18 N 1.57 0.51 2.46 2.75 0.00 0.03 -4.03 105.19 108.49 1b2o n GLY 18 Ca -0.14 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 1b2o n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b2o n ASP 19 N -1.68 -1.18 -0.20 1.61 2.03 -0.03 -4.71 116.55 112.39 1b2o n ASP 19 Ca 0.00 -3.10 0.21 0.00 0.52 0.00 0.00 54.79 52.43 1b2o n ASP 19 Cb 0.00 0.60 0.58 0.00 -0.72 0.00 0.00 41.12 41.58 1b2o n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1b2o h PRO 20 N 3.72 0.26 0.00 -0.67 0.11 -1.70 0.34 132.00 134.07 1b2o h PRO 20 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1b2o h PRO 20 Cb 0.98 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1b2o h PRO 20 CO 0.37 0.17 0.00 -0.44 -0.21 0.00 0.00 178.00 177.90 1b2o h ASP 21 N 0.27 0.00 -0.39 -2.05 3.32 -1.96 -1.09 116.42 114.52 1b2o h ASP 21 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1b2o h ASP 21 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1b2o h ASP 21 CO -0.12 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.99 1b2o n ASN 22 N -2.30 3.30 -0.01 6.45 3.02 0.05 -4.96 115.26 120.81 1b2o n ASN 22 Ca 0.01 -2.19 -0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1b2o n ASN 22 Cb 0.18 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1b2o n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b2o n GLY 23 N 0.49 0.45 3.54 7.41 0.00 -0.41 -4.99 105.19 111.68 1b2o n GLY 23 Ca 0.15 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1b2o n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2o s VAL 24 N -1.91 4.58 0.66 1.61 1.01 -0.84 -4.93 120.40 120.58 1b2o s VAL 24 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1b2o s VAL 24 Cb 0.00 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1b2o s VAL 24 CO 0.00 -0.83 1.24 0.20 0.00 0.00 0.00 175.10 175.71 1b2o s ASN 25 N 2.34 4.63 0.38 3.32 0.01 -1.26 -0.85 114.94 123.51 1b2o s ASN 25 Ca 0.30 2.45 -0.27 0.00 -0.71 0.00 0.00 52.86 54.64 1b2o s ASN 25 Cb -0.12 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.83 1b2o s ASN 25 CO 0.22 -1.98 1.31 -2.65 -1.51 0.00 0.00 177.10 172.50 1b2o n PRO 26 N -2.11 2.12 -0.70 -0.60 -0.02 -1.26 -2.16 135.00 130.27 1b2o n PRO 26 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1b2o n PRO 26 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1b2o n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2o n GLY 27 N 0.74 0.60 3.65 -1.23 0.00 0.16 -4.89 105.19 104.22 1b2o n GLY 27 Ca 0.05 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1b2o n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b2o s THR 28 N -2.00 5.23 0.47 2.61 2.01 -0.92 -4.98 115.64 118.06 1b2o s THR 28 Ca 0.00 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.30 1b2o s THR 28 Cb 0.00 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 1b2o s THR 28 CO 0.00 0.25 1.31 -0.62 -0.69 0.00 0.00 174.62 174.87 1b2o s ASP 29 N 1.22 5.89 0.29 3.53 -1.08 -1.26 -4.59 116.67 120.67 1b2o s ASP 29 Ca 0.15 2.67 0.01 0.00 -0.52 0.00 0.00 52.55 54.86 1b2o s ASP 29 Cb -0.15 -2.63 0.55 0.00 -1.46 0.00 0.00 42.92 39.23 1b2o s ASP 29 CO 0.08 -1.14 1.87 0.15 0.52 0.00 0.00 175.17 176.65 1b2o h PHE 30 N 2.13 1.10 0.00 -5.34 3.57 -1.97 -0.14 116.94 116.29 1b2o h PHE 30 Ca -0.50 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1b2o h PHE 30 Cb 1.27 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1b2o h PHE 30 CO 0.50 0.49 -0.06 1.57 -2.23 0.00 0.00 178.31 178.59 1b2o h LYS 31 N 1.01 0.00 -0.01 1.11 2.10 -1.98 -2.62 116.57 116.18 1b2o h LYS 31 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1b2o h LYS 31 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1b2o h LYS 31 CO -0.21 0.06 -0.33 -0.25 -2.00 0.00 0.00 179.45 176.72 1b2o n ASP 32 N -3.66 1.02 -4.76 7.07 8.00 -0.07 -4.92 116.55 119.23 1b2o n ASP 32 Ca -0.02 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 1b2o n ASP 32 Cb 0.16 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1b2o n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b2o s ILE 33 N -2.59 2.68 0.21 0.53 1.01 -0.99 -4.93 121.20 117.12 1b2o s ILE 33 Ca 0.21 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1b2o s ILE 33 Cb 0.19 -3.41 -0.16 0.00 0.01 0.00 0.00 42.46 39.09 1b2o s ILE 33 CO 0.56 0.13 0.89 -2.65 0.00 0.00 0.00 174.94 173.87 1b2o n PRO 34 N 1.41 0.77 0.02 2.79 -0.02 -1.26 -4.84 135.00 133.87 1b2o n PRO 34 Ca 0.03 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1b2o n PRO 34 Cb 0.41 -1.56 0.36 0.00 -0.02 0.00 0.00 33.50 32.69 1b2o n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b2o n ASP 35 N 1.69 0.11 -0.50 2.55 8.00 -1.26 -1.52 116.55 125.62 1b2o n ASP 35 Ca 0.14 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.30 1b2o n ASP 35 Cb 0.26 -0.55 0.42 0.00 -0.02 0.00 0.00 41.12 41.24 1b2o n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1b2o n ASP 36 N -1.62 1.62 -4.77 -2.24 5.75 -1.26 -4.75 116.55 109.29 1b2o n ASP 36 Ca 0.04 -1.44 -0.39 0.00 -0.01 0.00 0.00 54.79 52.98 1b2o n ASP 36 Cb 0.19 0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1b2o n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1b2o s TRP 37 N -2.11 2.80 0.16 2.11 -0.00 -0.57 -5.04 118.94 116.28 1b2o s TRP 37 Ca 0.33 1.45 0.05 0.00 -0.00 0.00 0.00 56.10 57.94 1b2o s TRP 37 Cb 0.20 -3.59 -0.04 0.00 -0.00 0.00 0.00 33.47 30.04 1b2o s TRP 37 CO 0.38 -1.97 -0.12 0.14 -0.00 0.00 0.00 176.95 175.38 1b2o s VAL 38 N -1.34 1.33 0.14 5.86 -7.23 -1.26 -4.04 120.40 113.86 1b2o s VAL 38 Ca 0.60 -2.07 -0.35 0.00 -1.81 0.00 0.00 61.98 58.35 1b2o s VAL 38 Cb -0.35 -1.87 -0.15 0.00 0.56 0.00 0.00 36.38 34.57 1b2o s VAL 38 CO 0.45 -0.68 1.41 0.00 -0.31 0.00 0.00 175.10 175.97 1b2o h PRO 40 N 4.89 0.00 0.02 0.00 0.11 -1.96 -0.93 132.00 134.13 1b2o h PRO 40 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 1b2o h PRO 40 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1b2o h PRO 40 CO 0.81 0.26 -1.40 1.25 -0.21 0.00 0.00 178.00 178.71 1b2o h LEU 41 N 0.00 0.08 -0.12 2.35 5.85 -1.99 -3.43 115.31 118.04 1b2o h LEU 41 Ca -0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1b2o h LEU 41 Cb 0.56 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1b2o h LEU 41 CO 0.03 1.56 -0.38 0.00 -0.34 0.00 0.00 178.44 179.32 1b2o n ALA 43 N -1.05 0.00 -1.69 0.00 0.00 -0.36 -4.95 120.51 112.46 1b2o n ALA 43 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1b2o n ALA 43 Cb 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.61 1b2o n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1b2o s VAL 44 N -2.00 4.24 0.98 0.00 -7.23 -1.26 -4.49 120.40 110.64 1b2o s VAL 44 Ca 0.00 0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 60.81 1b2o s VAL 44 Cb 0.00 -3.56 0.22 0.00 0.56 0.00 0.00 36.38 33.61 1b2o s VAL 44 CO 0.00 -0.88 1.33 0.61 -0.31 0.00 0.00 175.10 175.85 1b2o n GLY 45 N -2.04 -1.33 0.25 2.32 0.00 -1.26 -0.57 105.19 102.55 1b2o n GLY 45 Ca 0.07 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1b2o n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b2o h LYS 46 N 0.00 0.00 0.00 1.61 1.57 -1.86 -1.83 116.57 116.06 1b2o h LYS 46 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1b2o h LYS 46 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1b2o h LYS 46 CO 0.31 0.17 0.00 0.22 -0.57 0.00 0.00 179.45 179.58 1b2o h ASP 47 N 0.00 0.00 -0.50 0.86 3.58 -1.95 -2.13 116.42 116.27 1b2o h ASP 47 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1b2o h ASP 47 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1b2o h ASP 47 CO 0.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 1b2o n GLN 48 N -2.74 2.92 -4.01 0.28 6.02 -0.69 -4.91 117.38 114.25 1b2o n GLN 48 Ca 0.00 -2.12 -0.22 0.00 -0.01 0.00 0.00 57.00 54.65 1b2o n GLN 48 Cb 0.21 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1b2o n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1b2o s PHE 49 N -1.68 3.35 0.07 1.08 0.40 -0.80 -1.07 117.98 119.32 1b2o s PHE 49 Ca 0.38 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.72 1b2o s PHE 49 Cb 0.24 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1b2o s PHE 49 CO 0.20 0.47 -0.11 -1.21 0.70 0.00 0.00 175.22 175.27 1b2o s GLU 50 N -3.83 0.72 0.30 0.44 2.02 -0.06 -4.91 118.70 113.39 1b2o s GLU 50 Ca 0.34 -0.95 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1b2o s GLU 50 Cb -0.09 -0.54 -0.10 0.00 0.10 0.00 0.00 34.13 33.50 1b2o s GLU 50 CO 0.28 0.10 1.14 -2.00 0.02 0.00 0.00 175.26 174.80 1b2o s GLU 51 N -2.01 4.53 -0.53 1.61 2.12 -1.26 -0.30 118.70 122.86 1b2o s GLU 51 Ca -0.03 1.88 -0.22 0.00 0.36 0.00 0.00 54.97 56.96 1b2o s GLU 51 Cb -0.08 -3.11 0.05 0.00 0.26 0.00 0.00 34.13 31.25 1b2o s GLU 51 CO 0.01 0.09 0.83 0.08 -0.54 0.00 0.00 175.26 175.73 1b2o s VAL 52 N -1.19 4.56 0.51 3.70 1.01 -0.05 -4.79 120.40 124.14 1b2o s VAL 52 Ca 0.47 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1b2o s VAL 52 Cb -0.33 -4.46 -0.08 0.00 0.00 0.00 0.00 36.38 31.52 1b2o s VAL 52 CO 0.43 -1.01 1.03 -1.61 0.00 0.00 0.00 175.10 173.94 1b2o s GLU 53 N 3.50 3.76 0.00 2.72 0.41 -1.26 -4.51 118.70 123.32 1b2o s GLU 53 Ca 0.25 1.25 0.09 0.00 -0.41 0.00 0.00 54.97 56.15 1b2o s GLU 53 Cb -0.15 -2.10 0.07 0.00 -1.78 0.00 0.00 34.13 30.17 1b2o s GLU 53 CO 0.17 -0.45 0.77 0.39 -0.49 0.00 0.00 175.26 175.65