#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s LEU 10 N 0.00 4.30 0.42 -1.96 2.01 -1.26 -2.10 118.68 120.09 2wh4 s LEU 10 Ca 0.00 0.55 0.07 0.00 0.01 0.00 0.00 54.13 54.76 2wh4 s LEU 10 Cb 0.00 -2.35 -0.07 0.00 0.01 0.00 0.00 46.19 43.79 2wh4 s LEU 10 CO 0.00 0.18 0.08 -0.76 1.01 0.00 0.00 176.35 176.86 2wh4 s LEU 11 N 0.02 2.95 -0.04 1.79 2.01 0.11 -4.87 118.68 120.66 2wh4 s LEU 11 Ca 0.17 -1.27 -0.01 0.00 0.01 0.00 0.00 54.13 53.03 2wh4 s LEU 11 Cb -0.13 -1.10 0.03 0.00 0.01 0.00 0.00 46.19 45.00 2wh4 s LEU 11 CO 0.05 -0.51 0.07 -1.83 1.01 0.00 0.00 176.35 175.14 2wh4 s GLU 12 N -3.80 -0.01 -0.21 1.70 1.03 -1.25 -0.09 118.70 116.08 2wh4 s GLU 12 Ca 0.36 0.28 -0.17 0.00 0.03 0.00 0.00 54.97 55.48 2wh4 s GLU 12 Cb 0.07 -0.27 -0.04 0.00 -0.80 0.00 0.00 34.13 33.09 2wh4 s GLU 12 CO 0.19 -0.20 0.43 0.00 -1.33 0.00 0.00 175.26 174.35 2wh4 s THR 14 N 1.46 4.52 0.00 0.00 -1.32 -1.26 -3.02 115.64 116.02 2wh4 s THR 14 Ca 0.20 -0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2wh4 s THR 14 Cb -0.15 -2.98 -0.01 0.00 -1.51 0.00 0.00 72.50 67.85 2wh4 s THR 14 CO 0.09 0.53 0.55 1.21 -2.21 0.00 0.00 174.62 174.78 2wh4 n GLU 15 N 2.98 0.23 -0.15 7.08 2.13 -0.61 -2.46 120.64 129.84 2wh4 n GLU 15 Ca -0.18 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.60 2wh4 n GLU 15 Cb 0.53 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.78 2wh4 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wh4 n LYS 17 N 0.14 0.00 0.00 0.00 0.00 -1.26 -4.92 118.16 112.12 2wh4 n LYS 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2wh4 n LYS 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wh4 n LYS 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2wh4 n ARG 18 N 0.00 1.35 0.00 1.64 1.85 -1.13 -5.12 116.66 115.25 2wh4 n ARG 18 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2wh4 n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2wh4 n ARG 18 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wh4 n ARG 19 N 0.00 0.00 -0.51 2.89 0.00 -1.26 -4.69 116.66 113.09 2wh4 n ARG 19 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 2wh4 n ARG 19 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.45 2wh4 n ARG 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2wh4 n ASN 20 N -0.74 -1.53 -3.51 2.89 4.05 -1.26 -1.57 115.26 113.60 2wh4 n ASN 20 Ca 0.00 0.15 -0.05 0.00 0.45 0.00 0.00 54.58 55.13 2wh4 n ASN 20 Cb 0.00 -1.72 0.00 0.00 1.23 0.00 0.00 39.78 39.29 2wh4 n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2wh4 s TYR 21 N -2.33 -0.03 0.00 1.20 1.51 -1.17 -4.34 117.35 112.19 2wh4 s TYR 21 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2wh4 s TYR 21 Cb 0.00 0.70 0.00 0.00 -0.11 0.00 0.00 41.96 42.55 2wh4 s TYR 21 CO 0.00 -1.05 0.00 0.00 -1.11 0.00 0.00 175.55 173.39 2wh4 n ALA 22 N -0.55 0.00 -2.03 3.71 0.00 -1.22 -4.82 120.51 115.60 2wh4 n ALA 22 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wh4 n ALA 22 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wh4 n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wh4 n THR 23 N 0.00-11.16 -2.44 0.00 -2.24 -1.25 -4.85 114.28 92.34 2wh4 n THR 23 Ca 0.00 3.04 0.00 0.00 -2.27 0.00 0.00 64.05 64.82 2wh4 n THR 23 Cb 0.00 -4.74 0.00 0.00 -2.10 0.00 0.00 70.33 63.49 2wh4 n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wh4 n GLU 24 N 1.68 0.00 -3.66 -0.78 -0.58 0.88 -4.89 120.64 113.29 2wh4 n GLU 24 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2wh4 n GLU 24 Cb 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.70 2wh4 n GLU 24 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wh4 s LYS 25 N 1.35 -0.02 0.19 3.49 1.02 -1.25 0.06 119.74 124.57 2wh4 s LYS 25 Ca 0.00 0.43 0.04 0.00 0.02 0.00 0.00 55.97 56.46 2wh4 s LYS 25 Cb 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 2wh4 s LYS 25 CO 0.00 -0.34 0.29 -0.80 -0.92 0.00 0.00 175.35 173.57 2wh4 s ASN 26 N 2.22 6.20 -0.27 2.83 -0.87 -0.89 -4.96 114.94 119.20 2wh4 s ASN 26 Ca 0.04 0.08 0.10 0.00 -1.57 0.00 0.00 52.86 51.52 2wh4 s ASN 26 Cb -0.12 -1.82 0.51 0.00 -0.02 0.00 0.00 41.25 39.80 2wh4 s ASN 26 CO -0.05 0.01 1.45 0.29 -2.57 0.00 0.00 177.10 176.24 2wh4 n LYS 27 N -0.84 1.99 0.00 -0.60 4.76 -1.26 -3.24 118.16 118.96 2wh4 n LYS 27 Ca -0.08 -3.12 0.00 0.00 -2.87 0.00 0.00 58.31 52.24 2wh4 n LYS 27 Cb 0.55 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2wh4 n LYS 27 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wh4 n ARG 28 N -1.04 0.00 0.04 1.97 1.74 -1.26 -1.32 116.66 116.79 2wh4 n ARG 28 Ca 0.31 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2wh4 n ARG 28 Cb 1.01 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.44 2wh4 n ARG 28 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wh4 h ASN 29 N 0.00 -0.08 -1.40 0.55 2.35 -1.95 -3.12 115.58 111.92 2wh4 h ASN 29 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 2wh4 h ASN 29 Cb 0.00 0.02 0.11 0.00 0.05 0.00 0.00 38.32 38.51 2wh4 h ASN 29 CO 0.00 -0.06 -0.42 0.41 -1.65 0.00 0.00 177.43 175.71 2wh4 n THR 30 N -2.26 1.90 0.00 2.81 -1.04 -0.43 -3.13 114.28 112.12 2wh4 n THR 30 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2wh4 n THR 30 Cb 0.04 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 2wh4 n THR 30 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wh4 n PRO 31 N 0.95 0.00 -3.63 -2.82 -0.02 -1.26 -4.51 135.00 123.70 2wh4 n PRO 31 Ca 0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 2wh4 n PRO 31 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.69 2wh4 n PRO 31 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wh4 s ASN 32 N 0.00 -0.60 0.00 2.55 2.47 -1.18 -4.77 114.94 113.41 2wh4 s ASN 32 Ca 0.00 0.96 0.00 0.00 0.42 0.00 0.00 52.86 54.24 2wh4 s ASN 32 Cb 0.00 0.94 0.00 0.00 -1.45 0.00 0.00 41.25 40.74 2wh4 s ASN 32 CO 0.00 -0.36 0.00 0.29 -3.72 0.00 0.00 177.10 173.31 2wh4 n LYS 33 N 2.01 0.00 0.00 0.43 4.76 -1.26 -4.68 118.16 119.42 2wh4 n LYS 33 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2wh4 n LYS 33 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 2wh4 n LYS 33 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wh4 n LEU 34 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -5.09 117.00 115.07 2wh4 n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wh4 n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wh4 n LEU 34 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 2wh4 n GLU 35 N 0.16 0.00 -3.82 3.23 4.07 -1.26 -5.06 120.64 117.95 2wh4 n GLU 35 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2wh4 n GLU 35 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 2wh4 n GLU 35 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2wh4 s LEU 36 N 0.00 1.52 -0.26 4.31 2.34 -1.26 -3.94 118.68 121.39 2wh4 s LEU 36 Ca 0.00 0.12 -0.18 0.00 0.06 0.00 0.00 54.13 54.13 2wh4 s LEU 36 Cb 0.00 0.17 0.07 0.00 -0.56 0.00 0.00 46.19 45.87 2wh4 s LEU 36 CO 0.00 -0.06 0.66 0.00 -1.06 0.00 0.00 176.35 175.89 2wh4 s ARG 37 N 0.37 0.71 0.17 1.48 1.70 -0.49 -5.01 118.95 117.88 2wh4 s ARG 37 Ca -0.03 1.08 -0.31 0.00 -0.47 0.00 0.00 55.73 56.00 2wh4 s ARG 37 Cb -0.04 0.22 -0.17 0.00 -0.57 0.00 0.00 34.95 34.39 2wh4 s ARG 37 CO -0.01 -0.13 0.89 1.17 -1.08 0.00 0.00 175.30 176.13 2wh4 n LYS 38 N 3.71 0.57 -3.64 3.89 4.81 -1.21 -4.26 118.16 122.03 2wh4 n LYS 38 Ca -0.18 0.20 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 2wh4 n LYS 38 Cb 0.57 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.06 2wh4 n LYS 38 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2wh4 s TYR 39 N -0.60 -0.53 0.17 5.64 5.04 -0.29 -4.95 117.35 121.82 2wh4 s TYR 39 Ca 0.70 1.22 -0.30 0.00 -2.44 0.00 0.00 57.07 56.25 2wh4 s TYR 39 Cb -0.93 0.37 -0.07 0.00 0.35 0.00 0.00 41.96 41.68 2wh4 s TYR 39 CO 0.56 -0.26 1.01 0.00 -1.34 0.00 0.00 175.55 175.52 2wh4 n PRO 41 N 2.32 2.35 -0.50 0.00 -0.04 -1.26 -4.80 135.00 133.07 2wh4 n PRO 41 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2wh4 n PRO 41 Cb 0.47 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.03 2wh4 n PRO 41 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2wh4 n TRP 42 N 0.00 0.00 -3.03 0.54 4.27 -1.26 -4.81 117.44 113.16 2wh4 n TRP 42 Ca 0.00 -0.75 -0.14 0.00 -3.89 0.00 0.00 57.50 52.73 2wh4 n TRP 42 Cb 0.00 -0.14 -0.04 0.00 -1.36 0.00 0.00 31.31 29.77 2wh4 n TRP 42 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2wh4 n ARG 44 N 2.91 0.00 0.00 0.00 5.12 -1.26 -4.90 116.66 118.53 2wh4 n ARG 44 Ca 0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2wh4 n ARG 44 Cb 0.53 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 2wh4 n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wh4 n LYS 45 N -1.41 0.00 -2.80 5.56 4.76 -1.26 -5.04 118.16 117.96 2wh4 n LYS 45 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2wh4 n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wh4 n LYS 45 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wh4 n HIS 46 N -0.61 -3.50 -2.64 2.13 8.25 -1.24 -4.88 115.22 112.73 2wh4 n HIS 46 Ca 0.00 1.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.99 2wh4 n HIS 46 Cb 0.00 -3.67 0.00 0.00 1.12 0.00 0.00 29.99 27.44 2wh4 n HIS 46 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2wh4 n THR 47 N 0.63 0.00 -0.06 1.59 -1.04 -0.44 -4.82 114.28 110.13 2wh4 n THR 47 Ca 0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 2wh4 n THR 47 Cb 0.13 -0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 68.12 2wh4 n THR 47 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2wh4 n VAL 48 N -0.05 0.67 -0.29 12.58 0.24 -1.26 -1.14 118.33 129.08 2wh4 n VAL 48 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2wh4 n VAL 48 Cb 0.00 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 2wh4 n VAL 48 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wh4 n HIS 49 N -3.22 -0.81 0.00 6.34 8.25 -1.16 -1.40 115.22 123.22 2wh4 n HIS 49 Ca -0.23 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2wh4 n HIS 49 Cb 0.69 -1.45 0.00 0.00 1.12 0.00 0.00 29.99 30.36 2wh4 n HIS 49 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wh4 n ARG 50 N -1.01 0.00 0.00 -0.41 5.12 -1.03 -2.98 116.66 116.34 2wh4 n ARG 50 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh4 n ARG 50 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2wh4 n ARG 50 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wh4 n GLU 51 N 0.00 0.11 0.00 5.56 1.02 -1.25 -4.25 120.64 121.83 2wh4 n GLU 51 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wh4 n GLU 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2wh4 n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wh4 n VAL 52 N 0.00 0.00 0.00 2.62 0.31 -1.25 -4.37 118.33 115.63 2wh4 n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh4 n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wh4 n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68