#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s LEU 10 N 0.00 4.41 -0.25 -1.96 2.01 -1.26 -2.50 118.68 119.13 2wdj s LEU 10 Ca 0.00 1.06 -0.26 0.00 0.01 0.00 0.00 54.13 54.94 2wdj s LEU 10 Cb 0.00 -3.02 0.11 0.00 0.01 0.00 0.00 46.19 43.30 2wdj s LEU 10 CO 0.00 0.19 0.97 -0.22 1.01 0.00 0.00 176.35 178.30 2wdj s LEU 11 N -1.60 -0.49 0.38 1.79 1.98 -1.26 -4.79 118.68 114.70 2wdj s LEU 11 Ca 0.32 0.87 0.08 0.00 -2.89 0.00 0.00 54.13 52.52 2wdj s LEU 11 Cb -0.16 1.98 -0.07 0.00 0.66 0.00 0.00 46.19 48.60 2wdj s LEU 11 CO 0.18 -0.21 -0.02 -1.83 -1.89 0.00 0.00 176.35 172.58 2wdj s GLU 12 N 0.00 1.93 0.06 1.98 1.03 -1.26 -0.50 118.70 121.95 2wdj s GLU 12 Ca 0.02 -2.02 0.08 0.00 0.03 0.00 0.00 54.97 53.08 2wdj s GLU 12 Cb -0.04 -1.69 -0.03 0.00 -0.80 0.00 0.00 34.13 31.56 2wdj s GLU 12 CO -0.04 0.02 -0.22 0.00 -1.33 0.00 0.00 175.26 173.70 2wdj s THR 14 N -0.94 4.59 -0.61 0.00 -1.32 -1.24 -2.63 115.64 113.49 2wdj s THR 14 Ca 0.14 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2wdj s THR 14 Cb -0.10 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2wdj s THR 14 CO 0.05 0.34 0.61 1.21 -2.21 0.00 0.00 174.62 174.61 2wdj n GLU 15 N 1.17 0.87 -2.69 7.08 2.13 -1.16 -2.89 120.64 125.15 2wdj n GLU 15 Ca -0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.68 2wdj n GLU 15 Cb 0.53 -1.29 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 2wdj n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wdj n LYS 17 N 2.20 0.00 -2.93 0.00 4.76 -1.26 -5.03 118.16 115.91 2wdj n LYS 17 Ca -0.09 0.22 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 2wdj n LYS 17 Cb 0.14 -2.71 0.01 0.00 -1.84 0.00 0.00 35.03 30.63 2wdj n LYS 17 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdj n ARG 18 N -2.75 0.70 0.00 1.97 0.00 -1.26 -5.16 116.66 110.15 2wdj n ARG 18 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 57.85 56.27 2wdj n ARG 18 Cb 0.00 1.85 0.00 0.00 -0.00 0.00 0.00 32.46 34.31 2wdj n ARG 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2wdj n ARG 19 N -0.36 0.00 -1.34 2.89 0.00 -1.26 -4.29 116.66 112.30 2wdj n ARG 19 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.87 2wdj n ARG 19 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 32.46 32.82 2wdj n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2wdj n ASN 20 N 0.00 -7.23 -3.75 2.89 4.05 -1.26 -2.99 115.26 106.98 2wdj n ASN 20 Ca 0.00 1.51 -0.10 0.00 0.45 0.00 0.00 54.58 56.44 2wdj n ASN 20 Cb 0.00 -4.37 -0.06 0.00 1.23 0.00 0.00 39.78 36.58 2wdj n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2wdj s TYR 21 N -4.81 -0.03 0.00 1.20 1.51 -1.24 -4.33 117.35 109.66 2wdj s TYR 21 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2wdj s TYR 21 Cb 0.00 0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.95 2wdj s TYR 21 CO 0.00 -0.61 0.00 0.00 -1.11 0.00 0.00 175.55 173.83 2wdj n ALA 22 N -0.09 1.77 -3.23 3.71 0.00 -1.08 -4.86 120.51 116.73 2wdj n ALA 22 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2wdj n ALA 22 Cb 0.63 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.31 2wdj n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdj n THR 23 N -1.69 -7.32 0.00 0.00 -2.24 -1.26 -4.83 114.28 96.93 2wdj n THR 23 Ca 0.00 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2wdj n THR 23 Cb 0.35 -5.31 0.00 0.00 -2.10 0.00 0.00 70.33 63.27 2wdj n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wdj n GLU 24 N -0.61 0.00 0.00 -0.78 -0.58 0.34 -4.93 120.64 114.08 2wdj n GLU 24 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2wdj n GLU 24 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 2wdj n GLU 24 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2wdj n LYS 25 N 0.00 0.00 0.00 3.49 4.81 -1.24 -4.42 118.16 120.80 2wdj n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdj n LYS 25 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdj n LYS 25 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wdj n ASN 26 N 0.00 -1.30 -2.21 3.14 3.02 -1.04 -4.91 115.26 111.96 2wdj n ASN 26 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2wdj n ASN 26 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2wdj n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wdj n LYS 27 N -1.30 0.92 0.00 3.52 4.76 -1.26 -4.07 118.16 120.73 2wdj n LYS 27 Ca 0.00 -0.91 0.00 0.00 -2.87 0.00 0.00 58.31 54.53 2wdj n LYS 27 Cb 0.00 0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 2wdj n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdj n ARG 28 N -1.05 0.00 -0.02 1.97 1.74 -1.26 -1.44 116.66 116.60 2wdj n ARG 28 Ca -0.15 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.93 2wdj n ARG 28 Cb 0.77 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.20 2wdj n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdj n ASN 29 N -0.59 -0.06 -4.66 0.55 3.02 -1.26 -4.38 115.26 107.90 2wdj n ASN 29 Ca 0.00 0.86 -0.29 0.00 -0.03 0.00 0.00 54.58 55.12 2wdj n ASN 29 Cb 0.00 -0.39 0.13 0.00 -0.61 0.00 0.00 39.78 38.91 2wdj n ASN 29 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wdj s THR 30 N -3.16 1.98 -0.08 3.41 -4.23 -0.52 -4.88 115.64 108.16 2wdj s THR 30 Ca -0.01 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 2wdj s THR 30 Cb 0.01 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.90 2wdj s THR 30 CO 0.03 0.00 0.47 -2.65 -0.54 0.00 0.00 174.62 171.93 2wdj n PRO 31 N -3.65 0.00 0.00 3.99 -0.02 -1.26 -4.82 135.00 129.24 2wdj n PRO 31 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wdj n PRO 31 Cb 0.60 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 2wdj n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wdj n ASN 32 N 0.94 0.00 -1.05 2.55 5.15 -1.26 -4.73 115.26 116.85 2wdj n ASN 32 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2wdj n ASN 32 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 2wdj n ASN 32 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wdj n LYS 33 N 0.00 -2.89 -3.34 1.20 4.76 -1.26 -4.88 118.16 111.75 2wdj n LYS 33 Ca 0.00 2.10 -0.25 0.00 -2.87 0.00 0.00 58.31 57.29 2wdj n LYS 33 Cb 0.00 -2.29 0.02 0.00 -1.84 0.00 0.00 35.03 30.92 2wdj n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wdj n LEU 34 N 0.14 -4.23 -4.49 -0.35 4.77 -1.26 -4.92 117.00 106.66 2wdj n LEU 34 Ca 0.00 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 2wdj n LEU 34 Cb 0.00 -2.24 -0.07 0.00 -2.33 0.00 0.00 43.42 38.78 2wdj n LEU 34 CO 0.00 -0.67 0.28 -0.70 -1.33 0.00 0.00 177.39 174.97 2wdj s GLU 35 N -2.94 3.18 -0.10 3.23 2.56 -1.26 -5.04 118.70 118.33 2wdj s GLU 35 Ca 0.26 -0.63 -0.01 0.00 0.00 0.00 0.00 54.97 54.58 2wdj s GLU 35 Cb -0.04 -4.00 0.03 0.00 2.00 0.00 0.00 34.13 32.13 2wdj s GLU 35 CO 0.84 -1.02 -0.01 -0.48 -0.56 0.00 0.00 175.26 174.03 2wdj s LEU 36 N 2.55 0.85 -0.16 2.70 2.34 -1.26 -3.12 118.68 122.58 2wdj s LEU 36 Ca 0.17 -0.26 -0.11 0.00 0.06 0.00 0.00 54.13 53.99 2wdj s LEU 36 Cb -0.16 -0.57 0.05 0.00 -0.56 0.00 0.00 46.19 44.94 2wdj s LEU 36 CO 0.15 -0.19 0.40 -0.13 -1.06 0.00 0.00 176.35 175.52 2wdj s ARG 37 N 1.88 0.42 0.27 1.48 0.52 -1.18 -5.04 118.95 117.30 2wdj s ARG 37 Ca 0.04 0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 55.66 2wdj s ARG 37 Cb -0.13 0.08 -0.15 0.00 0.52 0.00 0.00 34.95 35.27 2wdj s ARG 37 CO -0.06 -0.11 0.79 1.17 0.02 0.00 0.00 175.30 177.10 2wdj n LYS 38 N 3.66 0.79 -3.44 3.54 4.81 -1.10 -4.42 118.16 122.01 2wdj n LYS 38 Ca -0.19 0.28 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 2wdj n LYS 38 Cb 0.56 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.08 2wdj n LYS 38 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2wdj s TYR 39 N -1.08 -0.55 -0.23 5.64 5.04 -0.79 -4.99 117.35 120.38 2wdj s TYR 39 Ca 0.61 0.45 -0.09 0.00 -2.44 0.00 0.00 57.07 55.60 2wdj s TYR 39 Cb -0.77 0.54 -0.04 0.00 0.35 0.00 0.00 41.96 42.03 2wdj s TYR 39 CO 0.58 -0.80 0.11 0.00 -1.34 0.00 0.00 175.55 174.10 2wdj n PRO 41 N 4.42 0.43 0.00 0.00 -0.04 -1.26 -4.97 135.00 133.58 2wdj n PRO 41 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2wdj n PRO 41 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2wdj n PRO 41 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2wdj n TRP 42 N -1.01 0.00 -3.82 0.54 -0.00 -1.26 -4.87 117.44 107.02 2wdj n TRP 42 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 2wdj n TRP 42 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.15 2wdj n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2wdj n ARG 44 N 4.88 -3.51 -0.85 0.00 5.12 -1.26 -4.95 116.66 116.08 2wdj n ARG 44 Ca -0.10 2.78 -0.35 0.00 -1.93 0.00 0.00 57.85 58.26 2wdj n ARG 44 Cb 0.46 -4.59 0.10 0.00 -1.16 0.00 0.00 32.46 27.26 2wdj n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wdj n LYS 45 N 1.27 -0.59 0.00 5.56 4.76 -1.26 -4.85 118.16 123.05 2wdj n LYS 45 Ca -0.16 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2wdj n LYS 45 Cb 0.30 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2wdj n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2wdj n HIS 46 N -3.64 0.00 -3.65 2.13 1.44 -1.26 -5.00 115.22 105.24 2wdj n HIS 46 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2wdj n HIS 46 Cb 0.63 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.74 2wdj n HIS 46 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2wdj n THR 47 N 0.00 0.00 -0.04 0.61 -1.04 0.21 -5.14 114.28 108.88 2wdj n THR 47 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2wdj n THR 47 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2wdj n THR 47 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2wdj n VAL 48 N 0.00 1.68 -1.01 12.58 0.24 -1.26 -1.89 118.33 128.67 2wdj n VAL 48 Ca 0.00 -0.54 0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2wdj n VAL 48 Cb 0.00 -1.72 -0.07 0.00 -1.47 0.00 0.00 33.84 30.58 2wdj n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdj n HIS 49 N -3.61 -2.71 -2.92 6.34 8.25 -1.26 -2.72 115.22 116.59 2wdj n HIS 49 Ca -0.36 1.50 0.00 0.00 -0.26 0.00 0.00 57.72 58.60 2wdj n HIS 49 Cb 0.98 -2.47 0.00 0.00 1.12 0.00 0.00 29.99 29.62 2wdj n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wdj n ARG 50 N -3.63 0.16 0.00 -0.41 5.12 -1.14 -3.91 116.66 112.85 2wdj n ARG 50 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2wdj n ARG 50 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 2wdj n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wdj n GLU 51 N 0.00 0.00 -0.52 5.56 1.02 -1.18 -3.70 120.64 121.81 2wdj n GLU 51 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 2wdj n GLU 51 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2wdj n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wdj n VAL 52 N 0.00 -0.43 0.00 2.62 0.31 -1.26 -3.87 118.33 115.69 2wdj n VAL 52 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 2wdj n VAL 52 Cb 0.00 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wdj n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68