#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8o s PRO 2 N 0.00 3.10 0.48 5.56 0.02 -1.26 -4.90 135.00 138.00 1t8o s PRO 2 Ca 0.00 2.26 0.22 0.00 0.02 0.00 0.00 61.00 63.50 1t8o s PRO 2 Cb 0.00 -2.24 1.23 0.00 0.02 0.00 0.00 34.50 33.50 1t8o s PRO 2 CO 0.00 -1.23 2.02 -0.44 -0.33 0.00 0.00 177.00 177.02 1t8o h ASP 3 N 1.41 0.00 0.13 2.53 3.32 -2.02 -2.47 116.42 119.32 1t8o h ASP 3 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1t8o h ASP 3 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1t8o h ASP 3 CO 0.57 0.17 0.00 2.19 -1.72 0.00 0.00 179.24 180.45 1t8o h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.56 116.94 113.80 1t8o h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1t8o h PHE 4 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.54 1t8o h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1t8o n LEU 6 N -3.06 2.10 -4.79 0.00 4.77 -0.22 -4.56 117.00 111.24 1t8o n LEU 6 Ca -0.00 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.90 1t8o n LEU 6 Cb 0.25 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1t8o n LEU 6 CO 0.25 0.35 0.49 -1.61 -1.33 0.00 0.00 177.39 175.54 1t8o s GLU 7 N -2.07 4.47 0.74 3.23 0.41 -0.97 -4.96 118.70 119.55 1t8o s GLU 7 Ca 0.32 1.09 -0.14 0.00 -0.41 0.00 0.00 54.97 55.83 1t8o s GLU 7 Cb 0.20 -3.07 0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1t8o s GLU 7 CO 0.35 0.47 1.15 -1.25 -0.49 0.00 0.00 175.26 175.49 1t8o s PRO 8 N -1.56 2.22 0.48 0.39 0.04 -1.26 -4.90 135.00 130.40 1t8o s PRO 8 Ca 0.40 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 1t8o s PRO 8 Cb -0.20 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1t8o s PRO 8 CO 0.24 -1.73 1.40 -0.35 0.04 0.00 0.00 177.00 176.61 1t8o n PRO 9 N -2.96 2.07 -4.06 0.56 -0.04 -1.26 -5.00 135.00 124.31 1t8o n PRO 9 Ca 0.11 0.74 -0.32 0.00 -0.04 0.00 0.00 63.50 64.00 1t8o n PRO 9 Cb 0.51 -2.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.22 1t8o n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1t8o s TYR 10 N -1.22 3.02 0.09 0.54 5.04 -1.26 -5.00 117.35 118.56 1t8o s TYR 10 Ca 0.64 -2.09 -0.14 0.00 -2.44 0.00 0.00 57.07 53.05 1t8o s TYR 10 Cb -0.44 -1.86 -0.16 0.00 0.35 0.00 0.00 41.96 39.84 1t8o s TYR 10 CO 0.55 -0.84 1.29 1.15 -1.34 0.00 0.00 175.55 176.35 1t8o h THR 11 N 6.58 1.29 0.00 4.34 2.02 -1.95 -3.44 112.91 121.76 1t8o h THR 11 Ca -0.24 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1t8o h THR 11 Cb 1.07 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1t8o h THR 11 CO 0.49 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1t8o n GLY 12 N 0.72 -0.49 0.20 2.16 0.00 -1.26 -0.33 105.19 106.19 1t8o n GLY 12 Ca -0.08 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.30 1t8o n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8o h PRO 13 N 0.00 0.00 -7.19 1.61 0.13 -1.95 -3.44 132.00 121.17 1t8o h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1t8o h PRO 13 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1t8o h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1t8o n TRP 15 N -2.15 2.86 -2.38 0.00 8.01 -1.23 -4.41 117.44 118.13 1t8o n TRP 15 Ca 0.10 -2.27 -0.25 0.00 -1.31 0.00 0.00 57.50 53.77 1t8o n TRP 15 Cb 0.52 -1.04 0.09 0.00 -2.01 0.00 0.00 31.31 28.88 1t8o n TRP 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1t8o s ALA 16 N -3.51 3.35 -0.52 6.99 0.00 -0.15 -5.05 121.76 122.88 1t8o s ALA 16 Ca 0.58 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1t8o s ALA 16 Cb 0.48 -2.32 0.21 0.00 0.00 0.00 0.00 23.12 21.49 1t8o s ALA 16 CO 0.05 -1.42 0.52 -2.13 0.00 0.00 0.00 175.76 172.78 1t8o n ARG 17 N -2.91 1.24 -3.88 0.00 0.63 -1.26 -4.24 116.66 106.25 1t8o n ARG 17 Ca 0.11 -3.81 -0.35 0.00 -0.92 0.00 0.00 57.85 52.89 1t8o n ARG 17 Cb 0.60 -1.79 -0.10 0.00 0.45 0.00 0.00 32.46 31.62 1t8o n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1t8o s ILE 18 N -1.24 4.96 -0.09 5.15 1.01 -0.49 -4.91 121.20 125.59 1t8o s ILE 18 Ca 0.34 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 1t8o s ILE 18 Cb 0.09 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1t8o s ILE 18 CO -0.12 0.43 1.15 -0.63 0.00 0.00 0.00 174.94 175.77 1t8o s ILE 19 N 0.60 4.41 0.25 2.92 1.01 -1.26 0.18 121.20 129.31 1t8o s ILE 19 Ca 0.05 1.72 0.01 0.00 0.00 0.00 0.00 60.65 62.42 1t8o s ILE 19 Cb -0.13 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1t8o s ILE 19 CO 0.01 -0.03 0.10 -0.13 0.00 0.00 0.00 174.94 174.89 1t8o s ARG 20 N 2.40 1.36 0.04 2.79 1.81 -0.71 -4.93 118.95 121.72 1t8o s ARG 20 Ca 0.53 -1.73 0.07 0.00 -1.72 0.00 0.00 55.73 52.87 1t8o s ARG 20 Cb -0.22 -0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.11 1t8o s ARG 20 CO 0.19 -0.32 -0.16 0.71 -0.68 0.00 0.00 175.30 175.04 1t8o s TYR 21 N -3.85 2.61 0.05 -0.53 1.51 0.59 -1.06 117.35 116.67 1t8o s TYR 21 Ca 0.38 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1t8o s TYR 21 Cb 0.08 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1t8o s TYR 21 CO 0.13 0.28 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.19 1t8o s PHE 22 N -0.95 0.62 -0.06 2.71 -0.71 0.16 -0.34 117.98 119.41 1t8o s PHE 22 Ca 0.15 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.23 1t8o s PHE 22 Cb -0.11 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 1t8o s PHE 22 CO 0.06 -0.12 0.74 -0.47 -1.34 0.00 0.00 175.22 174.09 1t8o s TYR 23 N -1.74 3.58 -0.47 3.49 5.04 -1.26 -0.41 117.35 125.58 1t8o s TYR 23 Ca -0.08 1.31 -0.09 0.00 -2.44 0.00 0.00 57.07 55.77 1t8o s TYR 23 Cb -0.08 -2.85 0.12 0.00 0.35 0.00 0.00 41.96 39.50 1t8o s TYR 23 CO -0.01 0.06 0.34 1.21 -1.34 0.00 0.00 175.55 175.81 1t8o s ASN 24 N 0.84 5.68 0.43 4.32 3.84 -0.33 -4.79 114.94 124.93 1t8o s ASN 24 Ca 0.40 -1.92 0.12 0.00 0.21 0.00 0.00 52.86 51.67 1t8o s ASN 24 Cb -0.18 -2.00 0.98 0.00 -0.55 0.00 0.00 41.25 39.50 1t8o s ASN 24 CO 0.19 -0.69 2.01 0.00 -2.79 0.00 0.00 177.10 175.83 1t8o h ALA 25 N 8.43 1.92 -0.38 1.71 0.00 -1.84 0.17 119.26 129.27 1t8o h ALA 25 Ca -0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1t8o h ALA 25 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1t8o h ALA 25 CO 0.85 -0.01 0.02 0.87 0.00 0.00 0.00 179.25 180.98 1t8o h LYS 26 N 0.45 0.59 0.00 0.00 1.57 -1.92 -3.08 116.57 114.18 1t8o h LYS 26 Ca 0.23 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1t8o h LYS 26 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1t8o h LYS 26 CO -0.06 0.60 -1.72 0.00 -0.57 0.00 0.00 179.45 177.71 1t8o n ALA 27 N -2.47 2.58 -0.96 3.86 0.00 -0.72 -4.99 120.51 117.80 1t8o n ALA 27 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1t8o n ALA 27 Cb 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1t8o n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t8o n GLY 28 N 1.28 0.43 3.42 0.00 0.00 0.52 -5.03 105.19 105.82 1t8o n GLY 28 Ca -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1t8o n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t8o s LEU 29 N 0.00 0.70 0.11 0.99 0.05 -1.19 -4.71 118.68 114.63 1t8o s LEU 29 Ca 0.00 -1.04 -0.20 0.00 0.05 0.00 0.00 54.13 52.94 1t8o s LEU 29 Cb 0.00 1.25 -0.07 0.00 -2.05 0.00 0.00 46.19 45.32 1t8o s LEU 29 CO 0.00 -1.00 0.62 0.00 -0.55 0.00 0.00 176.35 175.42 1t8o s GLN 31 N -1.24 1.50 0.34 0.00 -0.21 0.45 -4.92 119.66 115.58 1t8o s GLN 31 Ca 0.32 -1.75 -0.06 0.00 0.02 0.00 0.00 55.36 53.89 1t8o s GLN 31 Cb -0.20 -1.11 -0.05 0.00 1.00 0.00 0.00 33.01 32.65 1t8o s GLN 31 CO 0.21 0.05 0.63 0.95 -2.12 0.00 0.00 175.29 175.00 1t8o s THR 32 N -3.04 4.96 0.22 -0.19 -4.23 -1.26 -0.67 115.64 111.43 1t8o s THR 32 Ca 0.28 0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.80 1t8o s THR 32 Cb 0.03 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1t8o s THR 32 CO 0.11 -0.42 0.56 0.72 -0.54 0.00 0.00 174.62 175.05 1t8o s PHE 33 N -2.22 -0.07 -0.24 3.99 -0.71 -0.22 -4.89 117.98 113.62 1t8o s PHE 33 Ca 0.46 -0.29 -0.15 0.00 -1.04 0.00 0.00 56.93 55.91 1t8o s PHE 33 Cb -0.10 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1t8o s PHE 33 CO 0.32 -1.00 0.36 0.08 -1.34 0.00 0.00 175.22 173.64 1t8o s VAL 34 N -3.90 5.20 -0.14 -2.49 1.01 -1.26 -1.73 120.40 117.08 1t8o s VAL 34 Ca 0.11 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1t8o s VAL 34 Cb -0.02 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1t8o s VAL 34 CO 0.01 0.21 0.10 -0.47 0.00 0.00 0.00 175.10 174.95 1t8o s TYR 35 N 1.69 3.42 -0.55 5.22 5.04 0.13 -4.38 117.35 127.91 1t8o s TYR 35 Ca 0.16 0.34 0.25 0.00 -2.44 0.00 0.00 57.07 55.37 1t8o s TYR 35 Cb -0.15 -1.99 0.93 0.00 0.35 0.00 0.00 41.96 41.10 1t8o s TYR 35 CO 0.09 0.48 1.74 0.41 -1.34 0.00 0.00 175.55 176.93 1t8o n GLY 36 N 2.65 -1.44 0.00 8.97 0.00 0.55 -1.39 105.19 114.53 1t8o n GLY 36 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1t8o n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t8o n GLY 37 N 0.45 1.74 3.14 -0.02 0.00 -1.26 -0.97 105.19 108.26 1t8o n GLY 37 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1t8o n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8o n ARG 39 N 0.70 -7.05 -1.76 0.00 1.74 -1.26 -4.55 116.66 104.49 1t8o n ARG 39 Ca -0.19 0.81 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 1t8o n ARG 39 Cb 0.59 -5.71 0.01 0.00 -1.02 0.00 0.00 32.46 26.33 1t8o n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t8o n ALA 40 N -4.62 2.08 -1.97 7.54 0.00 -1.26 -4.91 120.51 117.38 1t8o n ALA 40 Ca -0.01 0.30 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 1t8o n ALA 40 Cb 0.57 -2.39 0.14 0.00 0.00 0.00 0.00 19.45 17.77 1t8o n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t8o s LYS 41 N -2.24 1.26 0.36 0.00 1.02 -1.26 -5.00 119.74 113.88 1t8o s LYS 41 Ca 0.57 -0.80 0.17 0.00 0.02 0.00 0.00 55.97 55.93 1t8o s LYS 41 Cb -0.47 -2.13 0.63 0.00 -0.52 0.00 0.00 37.83 35.34 1t8o s LYS 41 CO 0.61 -1.85 1.72 0.00 -0.92 0.00 0.00 175.35 174.91 1t8o h ARG 42 N -1.00 0.00 -3.28 1.68 3.08 -1.95 -3.30 114.38 109.61 1t8o h ARG 42 Ca -0.40 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.93 1t8o h ARG 42 Cb 1.25 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 1t8o h ARG 42 CO 0.40 0.41 2.80 -1.71 -1.07 0.00 0.00 179.97 180.81 1t8o n ASN 43 N -3.60 6.38 -3.38 7.04 5.15 -1.26 -4.70 115.26 120.89 1t8o n ASN 43 Ca -0.00 -2.93 -0.07 0.00 -0.60 0.00 0.00 54.58 50.97 1t8o n ASN 43 Cb 0.52 -1.51 -0.07 0.00 -0.53 0.00 0.00 39.78 38.19 1t8o n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1t8o s ASN 44 N 1.58 -0.12 0.13 1.20 3.84 -1.24 -4.50 114.94 115.82 1t8o s ASN 44 Ca 0.52 0.49 0.07 0.00 0.21 0.00 0.00 52.86 54.15 1t8o s ASN 44 Cb 0.15 1.34 -0.04 0.00 -0.55 0.00 0.00 41.25 42.15 1t8o s ASN 44 CO -0.06 -0.28 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.44 1t8o s PHE 45 N 2.61 1.65 -0.79 0.43 0.40 0.54 -4.92 117.98 117.90 1t8o s PHE 45 Ca 0.11 -0.48 0.26 0.00 -0.60 0.00 0.00 56.93 56.22 1t8o s PHE 45 Cb -0.15 -0.86 0.72 0.00 0.51 0.00 0.00 43.02 43.24 1t8o s PHE 45 CO -0.16 0.23 1.63 1.63 0.70 0.00 0.00 175.22 179.24 1t8o n LYS 46 N 0.61 0.19 -3.90 0.44 5.02 -1.26 -0.30 118.16 118.96 1t8o n LYS 46 Ca -0.16 0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1t8o n LYS 46 Cb 0.56 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1t8o n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1t8o s SER 47 N -3.96 0.11 0.32 4.39 1.04 -1.26 -4.86 113.70 109.47 1t8o s SER 47 Ca 0.10 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1t8o s SER 47 Cb 0.15 0.21 0.53 0.00 0.10 0.00 0.00 66.02 67.00 1t8o s SER 47 CO 0.63 -0.43 1.87 0.00 0.98 0.00 0.00 173.24 176.29 1t8o h ALA 48 N 4.01 1.33 -0.20 5.32 0.00 -1.97 -2.36 119.26 125.40 1t8o h ALA 48 Ca -0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1t8o h ALA 48 Cb 1.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1t8o h ALA 48 CO 0.45 0.47 0.11 1.49 0.00 0.00 0.00 179.25 181.77 1t8o h GLU 49 N 0.65 0.28 -0.78 0.00 4.81 -1.99 0.59 114.58 118.13 1t8o h GLU 49 Ca 0.14 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1t8o h GLU 49 Cb 0.27 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1t8o h GLU 49 CO 0.00 0.26 0.51 -0.44 -0.73 0.00 0.00 179.01 178.61 1t8o h ASP 50 N 0.22 0.88 -0.25 1.04 3.32 -1.92 -0.48 116.42 119.22 1t8o h ASP 50 Ca 0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1t8o h ASP 50 Cb 0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1t8o h ASP 50 CO -0.01 0.62 0.09 0.00 -1.72 0.00 0.00 179.24 178.22 1t8o h LEU 52 N 0.25 0.62 -1.23 0.00 3.38 -0.57 0.17 115.31 117.92 1t8o h LEU 52 Ca 0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1t8o h LEU 52 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1t8o h LEU 52 CO -0.00 0.78 -0.31 0.03 0.09 0.00 0.00 178.44 179.03 1t8o h ARG 53 N 0.57 0.00 0.03 1.13 3.08 -0.97 -0.15 114.38 118.07 1t8o h ARG 53 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.79 1t8o h ARG 53 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1t8o h ARG 53 CO 0.04 0.31 -2.18 2.41 -1.07 0.00 0.00 179.97 179.48 1t8o n THR 54 N -3.67 1.57 0.05 2.04 -1.04 -0.77 -4.69 114.28 107.77 1t8o n THR 54 Ca -0.01 -0.70 0.01 0.00 -2.04 0.00 0.00 64.05 61.30 1t8o n THR 54 Cb 0.42 -1.21 -0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1t8o n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t8o n GLY 56 N 0.80 0.51 2.09 0.00 0.00 -0.07 -1.20 105.19 107.32 1t8o n GLY 56 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1t8o n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t8o n GLY 57 N 2.76 1.12 0.00 -0.02 0.00 -1.26 -4.98 105.19 102.81 1t8o n GLY 57 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1t8o n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32