#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wuj s THR 4 N 0.00 3.66 0.23 -5.08 -4.23 -1.26 -5.00 115.64 103.96 2wuj s THR 4 Ca 0.00 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.67 2wuj s THR 4 Cb 0.00 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.74 2wuj s THR 4 CO 0.00 -0.17 1.89 -0.65 -0.54 0.00 0.00 174.62 175.15 2wuj h PRO 5 N 0.54 1.10 -0.06 3.99 0.11 -1.95 -1.94 132.00 133.78 2wuj h PRO 5 Ca -0.44 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2wuj h PRO 5 Cb 1.27 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2wuj h PRO 5 CO 0.53 0.73 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.79 2wuj h ASN 6 N 1.13 0.12 -0.74 -2.05 2.35 -1.95 -1.18 115.58 113.27 2wuj h ASN 6 Ca 0.33 -0.04 0.08 0.00 -0.55 0.00 0.00 56.30 56.12 2wuj h ASN 6 Cb -0.07 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 2wuj h ASN 6 CO -0.09 0.47 0.48 0.44 -1.65 0.00 0.00 177.43 177.08 2wuj h ASP 7 N 0.10 0.63 -0.40 5.81 3.32 -1.75 0.20 116.42 124.34 2wuj h ASP 7 Ca 0.01 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 2wuj h ASP 7 Cb 0.67 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2wuj h ASP 7 CO 0.05 0.40 -0.22 0.40 -1.72 0.00 0.00 179.24 178.14 2wuj h ILE 8 N 0.71 1.28 -0.28 0.35 2.04 -0.98 -2.03 117.51 118.60 2wuj h ILE 8 Ca 0.33 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 2wuj h ILE 8 Cb 0.35 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2wuj h ILE 8 CO -0.11 0.46 -0.13 -0.74 0.00 0.00 0.00 178.15 177.62 2wuj h HIS 9 N 0.66 0.52 0.00 1.37 2.76 -1.17 -3.20 115.15 116.08 2wuj h HIS 9 Ca 0.08 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2wuj h HIS 9 Cb 0.79 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2wuj h HIS 9 CO 0.06 0.60 -0.25 -0.91 -1.30 0.00 0.00 177.93 176.13 2wuj h ASN 10 N 0.45 0.00 -3.52 3.26 -0.26 -0.77 -3.47 115.58 111.26 2wuj h ASN 10 Ca 0.08 -0.02 -0.55 0.00 -0.56 0.00 0.00 56.30 55.26 2wuj h ASN 10 Cb 0.50 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 37.86 2wuj h ASN 10 CO 0.03 0.01 0.73 1.17 -1.06 0.00 0.00 177.43 178.31 2wuj n LYS 11 N -2.80 2.52 -4.38 0.81 3.00 -0.78 -5.01 118.16 111.51 2wuj n LYS 11 Ca 0.03 0.89 -0.24 0.00 -0.00 0.00 0.00 58.31 58.99 2wuj n LYS 11 Cb 0.51 -2.59 -0.09 0.00 0.00 0.00 0.00 35.03 32.86 2wuj n LYS 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2wuj s THR 12 N -0.73 2.80 0.02 3.15 -4.23 -1.26 -5.07 115.64 110.32 2wuj s THR 12 Ca 0.58 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 2wuj s THR 12 Cb -0.51 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 2wuj s THR 12 CO 0.58 -0.32 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.92 2wuj s PHE 13 N -2.46 0.56 0.87 3.99 0.40 -1.26 -5.15 117.98 114.93 2wuj s PHE 13 Ca 0.32 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 2wuj s PHE 13 Cb -0.03 -0.35 0.12 0.00 0.51 0.00 0.00 43.02 43.27 2wuj s PHE 13 CO 0.18 -0.05 1.09 0.95 0.70 0.00 0.00 175.22 178.09 2wuj s THR 14 N -0.85 2.78 0.17 0.64 -4.23 -1.26 -5.06 115.64 107.83 2wuj s THR 14 Ca -0.05 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.76 2wuj s THR 14 Cb -0.07 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 2wuj s THR 14 CO 0.00 -0.33 0.12 -0.54 -0.54 0.00 0.00 174.62 173.33 2wuj s LYS 15 N -4.91 2.84 0.19 3.99 -0.14 -1.26 -5.07 119.74 115.38 2wuj s LYS 15 Ca 0.63 -0.90 -0.02 0.00 -1.36 0.00 0.00 55.97 54.32 2wuj s LYS 15 Cb -0.18 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 2wuj s LYS 15 CO 0.57 0.48 0.14 -1.54 -0.76 0.00 0.00 175.35 174.24 2wuj s SER 16 N -3.09 0.17 0.09 2.83 1.04 -1.26 -5.06 113.70 108.42 2wuj s SER 16 Ca 0.31 -1.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.19 2wuj s SER 16 Cb -0.10 0.37 -0.15 0.00 0.10 0.00 0.00 66.02 66.25 2wuj s SER 16 CO 0.23 -0.83 1.74 0.15 0.98 0.00 0.00 173.24 175.50 2wuj h PHE 17 N 2.65 -0.02 -3.55 5.02 3.04 -2.05 -3.29 116.94 118.75 2wuj h PHE 17 Ca -0.35 0.00 -0.72 0.00 3.98 0.00 0.00 57.97 60.88 2wuj h PHE 17 Cb 1.24 0.01 -0.32 0.00 2.56 0.00 0.00 35.95 39.43 2wuj h PHE 17 CO 0.37 -0.01 -0.30 0.50 -2.02 0.00 0.00 178.31 176.85 2wuj s ARG 18 N -6.19 2.69 0.00 1.11 3.52 -1.26 -5.07 118.95 113.76 2wuj s ARG 18 Ca -0.13 -2.32 0.00 0.00 -0.13 0.00 0.00 55.73 53.15 2wuj s ARG 18 Cb 0.06 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 2wuj s ARG 18 CO 0.66 -1.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 2wuj n GLY 19 N 3.94 3.88 3.84 8.12 0.00 -1.24 -5.13 105.19 118.60 2wuj n GLY 19 Ca 0.05 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 2wuj n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wuj s TYR 20 N -0.74 3.71 -0.01 1.61 2.02 -1.26 -5.03 117.35 117.65 2wuj s TYR 20 Ca 0.00 0.93 -0.35 0.00 -0.37 0.00 0.00 57.07 57.28 2wuj s TYR 20 Cb -0.00 -2.24 -0.14 0.00 -0.40 0.00 0.00 41.96 39.19 2wuj s TYR 20 CO 0.00 0.65 1.70 -3.47 -1.57 0.00 0.00 175.55 172.86 2wuj n ASP 21 N 1.79 2.99 -0.20 2.29 -0.08 -1.26 -4.85 116.55 117.22 2wuj n ASP 21 Ca -0.14 1.04 -0.09 0.00 -1.51 0.00 0.00 54.79 54.09 2wuj n ASP 21 Cb 0.53 -1.34 0.04 0.00 2.34 0.00 0.00 41.12 42.69 2wuj n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2wuj h GLU 22 N 7.34 1.05 -0.65 -0.67 5.08 -1.99 -1.38 114.58 123.35 2wuj h GLU 22 Ca -0.47 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 57.51 2wuj h GLU 22 Cb 1.28 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2wuj h GLU 22 CO 0.91 1.03 0.24 -0.44 -1.00 0.00 0.00 179.01 179.75 2wuj h ASP 23 N 0.96 0.93 -0.63 1.42 3.32 -1.99 0.46 116.42 120.89 2wuj h ASP 23 Ca 0.17 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2wuj h ASP 23 Cb 0.57 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2wuj h ASP 23 CO 0.03 0.86 0.18 -0.33 -1.72 0.00 0.00 179.24 178.27 2wuj h GLU 24 N 0.93 0.98 -0.48 3.56 5.08 -1.90 0.14 114.58 122.90 2wuj h GLU 24 Ca 0.22 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2wuj h GLU 24 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2wuj h GLU 24 CO -0.01 0.87 0.13 0.28 -1.00 0.00 0.00 179.01 179.28 2wuj h VAL 25 N 0.90 1.23 -0.46 3.13 2.07 -0.91 -1.52 116.25 120.69 2wuj h VAL 25 Ca 0.20 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2wuj h VAL 25 Cb 0.31 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2wuj h VAL 25 CO -0.00 0.29 -0.09 0.78 0.02 0.00 0.00 177.57 178.57 2wuj h ASN 26 N 0.66 0.81 -0.41 0.57 -0.26 -0.65 0.16 115.58 116.47 2wuj h ASN 26 Ca 0.15 -0.24 -0.14 0.00 -0.56 0.00 0.00 56.30 55.52 2wuj h ASN 26 Cb 0.31 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 2wuj h ASN 26 CO -0.00 0.93 -0.26 -0.33 -1.06 0.00 0.00 177.43 176.71 2wuj h GLU 27 N 0.75 0.93 -0.37 0.81 5.08 -0.82 -1.10 114.58 119.86 2wuj h GLU 27 Ca 0.13 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2wuj h GLU 27 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2wuj h GLU 27 CO 0.04 1.07 0.05 0.35 -1.00 0.00 0.00 179.01 179.52 2wuj h PHE 28 N 0.79 0.66 0.00 4.33 3.57 -0.88 -2.22 116.94 123.18 2wuj h PHE 28 Ca 0.09 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2wuj h PHE 28 Cb 0.83 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2wuj h PHE 28 CO 0.05 0.67 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.56 2wuj h LEU 29 N 0.45 0.00 -0.53 0.59 3.38 -0.78 -0.01 115.31 118.42 2wuj h LEU 29 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2wuj h LEU 29 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2wuj h LEU 29 CO 0.01 0.18 -0.49 0.00 0.09 0.00 0.00 178.44 178.22 2wuj h ALA 30 N 1.82 0.71 -0.14 1.53 0.00 -0.83 0.17 119.26 122.52 2wuj h ALA 30 Ca -0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2wuj h ALA 30 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wuj h ALA 30 CO 0.02 0.68 -0.17 0.37 0.00 0.00 0.00 179.25 180.15 2wuj h GLN 31 N 0.49 0.36 -0.93 0.00 4.15 -0.76 -1.51 115.11 116.91 2wuj h GLN 31 Ca 0.02 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2wuj h GLN 31 Cb 1.04 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 2wuj h GLN 31 CO 0.10 0.77 0.60 0.28 -1.93 0.00 0.00 178.83 178.64 2wuj h VAL 32 N -0.02 1.25 -0.24 2.39 2.07 -0.93 -1.65 116.25 119.13 2wuj h VAL 32 Ca 0.02 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2wuj h VAL 32 Cb 0.71 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2wuj h VAL 32 CO 0.04 0.25 0.16 -0.09 0.02 0.00 0.00 177.57 177.94 2wuj h ARG 33 N 1.28 0.32 -0.64 1.57 2.43 -0.77 0.45 114.38 119.01 2wuj h ARG 33 Ca 0.34 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2wuj h ARG 33 Cb -0.11 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2wuj h ARG 33 CO -0.07 0.22 0.11 0.87 -1.51 0.00 0.00 179.97 179.59 2wuj h LYS 34 N 0.32 1.04 -0.26 0.20 1.57 -0.93 -0.32 116.57 118.19 2wuj h LYS 34 Ca 0.09 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2wuj h LYS 34 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2wuj h LYS 34 CO -0.02 0.95 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.29 2wuj h ASP 35 N 0.98 0.52 -0.35 0.86 3.32 -1.02 -2.07 116.42 118.66 2wuj h ASP 35 Ca 0.20 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2wuj h ASP 35 Cb 0.41 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2wuj h ASP 35 CO 0.01 0.78 0.23 0.22 -1.72 0.00 0.00 179.24 178.75 2wuj h TYR 36 N 0.26 0.45 -0.57 4.55 -0.00 -0.74 -0.83 116.97 120.08 2wuj h TYR 36 Ca 0.07 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.75 2wuj h TYR 36 Cb 0.56 -0.15 -0.03 0.00 -0.00 0.00 0.00 36.73 37.11 2wuj h TYR 36 CO 0.05 0.30 0.13 1.49 -0.00 0.00 0.00 178.16 180.13 2wuj h GLU 37 N 0.47 0.88 -0.20 1.82 4.81 -0.94 -1.19 114.58 120.23 2wuj h GLU 37 Ca 0.13 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2wuj h GLU 37 Cb -0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2wuj h GLU 37 CO -0.03 0.79 -0.01 0.82 -0.73 0.00 0.00 179.01 179.86 2wuj h ILE 38 N 0.84 1.26 -0.49 2.32 2.04 -1.01 -1.32 117.51 121.15 2wuj h ILE 38 Ca 0.18 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 2wuj h ILE 38 Cb 0.31 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2wuj h ILE 38 CO -0.00 0.27 -0.09 1.62 0.00 0.00 0.00 178.15 179.95 2wuj h VAL 39 N 0.11 1.26 -0.64 1.67 3.04 -0.91 -0.22 116.25 120.56 2wuj h VAL 39 Ca 0.06 -1.19 0.05 0.00 -1.01 0.00 0.00 66.70 64.61 2wuj h VAL 39 Cb 0.41 0.97 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 2wuj h VAL 39 CO 0.01 0.41 0.37 -0.07 -1.01 0.00 0.00 177.57 177.28 2wuj h LEU 40 N 0.81 0.56 -0.44 3.16 3.38 -1.13 0.74 115.31 122.39 2wuj h LEU 40 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2wuj h LEU 40 Cb 0.60 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2wuj h LEU 40 CO 0.04 0.37 0.22 -0.09 0.09 0.00 0.00 178.44 179.07 2wuj h ARG 41 N 0.69 0.63 -0.67 1.13 2.43 -0.40 -1.59 114.38 116.60 2wuj h ARG 41 Ca 0.28 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2wuj h ARG 41 Cb 0.14 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2wuj h ARG 41 CO -0.16 0.53 0.22 0.87 -1.51 0.00 0.00 179.97 179.93 2wuj h LYS 42 N 0.57 1.03 -0.41 0.20 1.57 -0.64 -0.95 116.57 117.94 2wuj h LYS 42 Ca 0.15 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2wuj h LYS 42 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2wuj h LYS 42 CO -0.02 0.89 0.20 -0.22 -0.57 0.00 0.00 179.45 179.73 2wuj h LYS 43 N 0.97 0.60 -0.78 3.15 3.11 -0.67 0.68 116.57 123.62 2wuj h LYS 43 Ca 0.22 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 2wuj h LYS 43 Cb 0.28 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.37 2wuj h LYS 43 CO -0.01 0.52 0.44 1.15 -2.81 0.00 0.00 179.45 178.73 2wuj h THR 44 N 0.53 1.23 -0.39 1.00 2.02 -0.73 -0.99 112.91 115.59 2wuj h THR 44 Ca 0.14 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 2wuj h THR 44 Cb 0.12 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2wuj h THR 44 CO -0.02 0.26 0.09 -0.33 0.37 0.00 0.00 175.52 175.89 2wuj h GLU 45 N 1.08 0.63 -0.45 6.66 5.08 -0.80 -2.06 114.58 124.71 2wuj h GLU 45 Ca 0.28 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2wuj h GLU 45 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wuj h GLU 45 CO -0.05 0.66 0.11 -0.07 -1.00 0.00 0.00 179.01 178.66 2wuj h LEU 46 N 0.49 0.62 -0.45 1.33 3.38 -0.51 -0.46 115.31 119.71 2wuj h LEU 46 Ca 0.12 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2wuj h LEU 46 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2wuj h LEU 46 CO 0.00 0.62 -0.21 -0.33 0.09 0.00 0.00 178.44 178.61 2wuj h GLU 47 N 0.66 0.94 -0.80 1.13 5.08 -0.62 0.02 114.58 120.99 2wuj h GLU 47 Ca 0.15 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2wuj h GLU 47 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2wuj h GLU 47 CO -0.00 1.07 0.34 0.00 -1.00 0.00 0.00 179.01 179.41 2wuj h ALA 48 N 0.85 1.04 -0.09 3.43 0.00 -1.04 0.32 119.26 123.76 2wuj h ALA 48 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2wuj h ALA 48 Cb 0.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wuj h ALA 48 CO 0.06 0.65 -0.21 -0.22 0.00 0.00 0.00 179.25 179.53 2wuj h LYS 49 N 1.16 0.15 0.03 0.00 3.64 -0.64 0.10 116.57 121.02 2wuj h LYS 49 Ca 0.27 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.37 2wuj h LYS 49 Cb 0.19 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2wuj h LYS 49 CO -0.03 0.37 -1.01 0.28 -2.27 0.00 0.00 179.45 176.79 2wuj h VAL 50 N 0.14 1.40 -0.20 2.00 2.07 -0.46 -3.29 116.25 117.91 2wuj h VAL 50 Ca 0.03 -2.53 -0.03 0.00 0.82 0.00 0.00 66.70 64.98 2wuj h VAL 50 Cb 0.47 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2wuj h VAL 50 CO 0.03 0.75 -0.00 0.78 0.02 0.00 0.00 177.57 179.15 2wuj h ASN 51 N 0.22 0.35 0.00 0.57 2.35 -0.11 -3.51 115.58 115.44 2wuj h ASN 51 Ca -0.10 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2wuj h ASN 51 Cb 1.67 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.94 2wuj h ASN 51 CO 0.18 0.58 0.00 1.21 -1.65 0.00 0.00 177.43 177.74