#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s VAL 3 N 0.00 4.41 0.06 3.15 1.01 -1.26 0.55 120.40 128.31 2wh4 s VAL 3 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2wh4 s VAL 3 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.43 2wh4 s VAL 3 CO 0.00 0.44 0.54 -2.11 0.00 0.00 0.00 175.10 173.97 2wh4 n ARG 4 N 3.85 0.24 -0.03 2.72 1.85 -1.17 -4.88 116.66 119.25 2wh4 n ARG 4 Ca -0.17 -0.61 -0.19 0.00 -1.00 0.00 0.00 57.85 55.88 2wh4 n ARG 4 Cb 0.52 0.87 -0.13 0.00 -1.05 0.00 0.00 32.46 32.67 2wh4 n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wh4 h ALA 5 N 2.00 0.10 -2.89 2.89 0.00 -1.88 -0.32 119.26 119.16 2wh4 h ALA 5 Ca -0.12 -0.88 -0.69 0.00 0.00 0.00 0.00 54.91 53.22 2wh4 h ALA 5 Cb 0.58 0.33 -0.24 0.00 0.00 0.00 0.00 17.79 18.46 2wh4 h ALA 5 CO 0.17 0.48 -0.55 -1.54 0.00 0.00 0.00 179.25 177.81 2wh4 s SER 6 N -6.75 5.55 -0.24 0.00 1.04 -1.26 -4.89 113.70 107.16 2wh4 s SER 6 Ca -0.21 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.34 2wh4 s SER 6 Cb 0.02 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2wh4 s SER 6 CO 0.72 -0.29 0.05 -0.69 0.98 0.00 0.00 173.24 174.01 2wh4 s VAL 7 N 1.55 4.23 0.00 5.02 1.01 -1.26 -5.07 120.40 125.88 2wh4 s VAL 7 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2wh4 s VAL 7 Cb -0.18 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2wh4 s VAL 7 CO 0.06 0.36 0.00 0.29 0.00 0.00 0.00 175.10 175.81 2wh4 n LYS 8 N 4.74 2.07 -4.04 2.72 5.02 -1.26 -5.10 118.16 122.30 2wh4 n LYS 8 Ca -0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.85 2wh4 n LYS 8 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 2wh4 n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wh4 s ARG 9 N 1.02 3.02 0.00 1.97 0.52 -1.26 -4.99 118.95 119.24 2wh4 s ARG 9 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2wh4 s ARG 9 Cb 0.00 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2wh4 s ARG 9 CO 0.00 0.53 0.26 -0.89 0.02 0.00 0.00 175.30 175.22 2wh4 n ILE 10 N -0.05 0.06 -3.20 1.52 5.41 -1.26 -5.10 119.36 116.74 2wh4 n ILE 10 Ca -0.08 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2wh4 n ILE 10 Cb 0.53 1.51 0.00 0.00 -0.71 0.00 0.00 39.64 40.97 2wh4 n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh4 n ASP 12 N -0.58 0.25 -3.88 0.00 5.75 -1.26 -4.73 116.55 112.09 2wh4 n ASP 12 Ca 0.00 -0.62 -0.28 0.00 -0.01 0.00 0.00 54.79 53.87 2wh4 n ASP 12 Cb 0.00 0.95 -0.12 0.00 -1.03 0.00 0.00 41.12 40.92 2wh4 n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2wh4 s LYS 13 N -1.32 2.39 -0.30 0.11 1.02 -1.26 -5.00 119.74 115.38 2wh4 s LYS 13 Ca 0.02 -3.27 -0.14 0.00 0.02 0.00 0.00 55.97 52.59 2wh4 s LYS 13 Cb 0.03 -3.35 0.17 0.00 -0.52 0.00 0.00 37.83 34.16 2wh4 s LYS 13 CO 0.16 -1.28 1.00 0.00 -0.92 0.00 0.00 175.35 174.31 2wh4 s LYS 15 N 2.54 3.83 -1.18 0.00 1.02 0.76 -4.91 119.74 121.81 2wh4 s LYS 15 Ca -0.01 0.29 -0.04 0.00 0.02 0.00 0.00 55.97 56.23 2wh4 s LYS 15 Cb -0.07 -2.81 0.23 0.00 -0.52 0.00 0.00 37.83 34.65 2wh4 s LYS 15 CO -0.16 0.42 1.99 0.28 -0.92 0.00 0.00 175.35 176.96 2wh4 n VAL 16 N 0.35 5.47 -1.86 3.17 0.31 -1.26 -1.91 118.33 122.61 2wh4 n VAL 16 Ca -0.03 -5.18 -0.40 0.00 -0.01 0.00 0.00 64.34 58.72 2wh4 n VAL 16 Cb 0.52 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 2wh4 n VAL 16 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wh4 s ILE 17 N -2.37 2.19 -0.42 2.52 -1.09 -1.20 -4.88 121.20 115.95 2wh4 s ILE 17 Ca 0.43 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.06 2wh4 s ILE 17 Cb 0.16 -3.11 0.12 0.00 -1.58 0.00 0.00 42.46 38.05 2wh4 s ILE 17 CO -0.07 0.03 0.19 -0.60 -1.23 0.00 0.00 174.94 173.26 2wh4 s ARG 18 N -2.32 1.43 -0.15 2.79 3.52 -1.26 -1.07 118.95 121.89 2wh4 s ARG 18 Ca 0.58 -2.01 0.01 0.00 -0.13 0.00 0.00 55.73 54.18 2wh4 s ARG 18 Cb -0.43 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2wh4 s ARG 18 CO 0.56 -1.08 -0.17 -0.98 -0.81 0.00 0.00 175.30 172.82 2wh4 s ARG 19 N 0.46 2.62 -0.10 5.12 1.70 -0.71 -4.74 118.95 123.30 2wh4 s ARG 19 Ca 0.15 -0.69 -0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2wh4 s ARG 19 Cb -0.23 -2.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.87 2wh4 s ARG 19 CO -0.05 -0.18 0.09 0.72 -1.08 0.00 0.00 175.30 174.80 2wh4 n HIS 20 N 4.56 -0.21 0.00 5.89 8.25 -1.26 -3.44 115.22 129.01 2wh4 n HIS 20 Ca -0.19 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2wh4 n HIS 20 Cb 0.50 -1.59 0.00 0.00 1.12 0.00 0.00 29.99 30.03 2wh4 n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 21 N -0.73 1.44 3.75 -1.41 0.00 -1.26 -4.92 105.19 102.06 2wh4 n GLY 21 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2wh4 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 22 N 0.00 4.24 -0.67 1.61 0.52 -1.22 -5.04 118.95 118.39 2wh4 s ARG 22 Ca 0.00 0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 55.45 2wh4 s ARG 22 Cb 0.00 -3.37 0.07 0.00 0.52 0.00 0.00 34.95 32.17 2wh4 s ARG 22 CO 0.00 0.31 0.98 0.08 0.02 0.00 0.00 175.30 176.69 2wh4 s VAL 23 N 0.12 4.31 0.67 3.52 1.01 -1.26 -1.73 120.40 127.04 2wh4 s VAL 23 Ca 0.26 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2wh4 s VAL 23 Cb -0.16 -4.69 0.11 0.00 0.00 0.00 0.00 36.38 31.64 2wh4 s VAL 23 CO 0.12 -1.47 0.92 -0.31 0.00 0.00 0.00 175.10 174.35 2wh4 s TYR 24 N 4.08 1.61 -0.11 5.22 1.51 -0.23 -3.25 117.35 126.19 2wh4 s TYR 24 Ca 0.23 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2wh4 s TYR 24 Cb -0.16 -2.75 0.06 0.00 -0.11 0.00 0.00 41.96 38.99 2wh4 s TYR 24 CO 0.10 -1.49 0.24 0.08 -1.11 0.00 0.00 175.55 173.36 2wh4 s VAL 25 N -2.97 -0.31 -0.06 0.71 1.01 0.21 -3.23 120.40 115.75 2wh4 s VAL 25 Ca 0.64 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2wh4 s VAL 25 Cb -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2wh4 s VAL 25 CO 0.42 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.81 2wh4 s ILE 26 N 2.14 2.58 0.30 2.22 1.01 -0.80 -1.27 121.20 127.39 2wh4 s ILE 26 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.79 2wh4 s ILE 26 Cb -0.12 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2wh4 s ILE 26 CO -0.08 0.57 0.15 0.00 0.00 0.00 0.00 174.94 175.58 2wh4 h GLU 28 N 2.21 0.02 -5.86 0.00 4.22 -2.00 -3.42 114.58 109.76 2wh4 h GLU 28 Ca -0.34 -0.01 -0.57 0.00 0.08 0.00 0.00 59.36 58.51 2wh4 h GLU 28 Cb 1.25 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2wh4 h GLU 28 CO 0.54 0.33 0.09 0.54 -2.18 0.00 0.00 179.01 178.33 2wh4 s ASN 29 N -5.54 6.84 0.63 1.04 6.03 -1.26 -4.94 114.94 117.74 2wh4 s ASN 29 Ca -0.15 1.02 0.26 0.00 -1.03 0.00 0.00 52.86 52.96 2wh4 s ASN 29 Cb 0.03 -2.38 1.43 0.00 -3.03 0.00 0.00 41.25 37.31 2wh4 s ASN 29 CO 0.67 -0.17 1.80 1.55 -2.03 0.00 0.00 177.10 178.92 2wh4 h PRO 30 N 7.03 0.00 0.00 3.55 0.13 -2.00 -0.30 132.00 140.41 2wh4 h PRO 30 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2wh4 h PRO 30 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wh4 h PRO 30 CO 0.77 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.41 2wh4 h LYS 31 N 0.00 0.00 -0.02 0.86 1.57 -1.96 -2.38 116.57 114.64 2wh4 h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wh4 h LYS 31 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wh4 h LYS 31 CO 0.00 0.00 -0.21 0.72 -0.57 0.00 0.00 179.45 179.39 2wh4 n HIS 32 N -2.93 0.00 -1.55 -1.35 8.25 -0.12 -4.73 115.22 112.80 2wh4 n HIS 32 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 2wh4 n HIS 32 Cb 0.19 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 2wh4 n HIS 32 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wh4 n LYS 33 N 0.42 1.05 -4.16 -0.41 5.02 -0.90 -4.67 118.16 114.51 2wh4 n LYS 33 Ca 0.13 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 2wh4 n LYS 33 Cb 0.49 -3.19 -0.08 0.00 -0.02 0.00 0.00 35.03 32.23 2wh4 n LYS 33 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wh4 s GLN 34 N 8.04 2.43 0.29 1.97 -0.21 -0.39 -3.85 119.66 127.93 2wh4 s GLN 34 Ca 1.03 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 55.52 2wh4 s GLN 34 Cb -0.33 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2wh4 s GLN 34 CO 0.31 0.52 0.19 0.50 -2.12 0.00 0.00 175.29 174.69 2wh4 s ARG 35 N -2.39 1.55 -0.16 2.91 3.52 0.19 0.64 118.95 125.22 2wh4 s ARG 35 Ca 0.25 -1.88 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 2wh4 s ARG 35 Cb -0.11 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 2wh4 s ARG 35 CO 0.17 -0.50 -0.13 -1.14 -0.81 0.00 0.00 175.30 172.89 2wh4 s GLN 36 N -3.78 2.18 0.00 5.12 0.74 -1.20 -3.06 119.66 119.67 2wh4 s GLN 36 Ca 0.38 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.18 2wh4 s GLN 36 Cb 0.05 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 32.00 2wh4 s GLN 36 CO 0.19 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.06