#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 2 N 0.00 0.00 -1.63 0.03 5.02 -1.23 -4.04 118.16 116.30 2wrj n LYS 2 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2wrj n LYS 2 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wrj n LYS 2 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wrj n VAL 3 N 0.00 2.19 0.00 -0.18 0.31 -1.26 -3.56 118.33 115.83 2wrj n VAL 3 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wrj n VAL 3 Cb 0.00 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2wrj n VAL 3 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2wrj n ARG 4 N 0.43 -1.10 0.00 5.55 1.85 -1.11 -4.93 116.66 117.35 2wrj n ARG 4 Ca 0.08 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.04 2wrj n ARG 4 Cb 0.36 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.65 2wrj n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wrj n ALA 5 N -0.11 3.37 -3.77 2.89 0.00 -1.21 0.17 120.51 121.84 2wrj n ALA 5 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 2wrj n ALA 5 Cb 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 2wrj n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrj s SER 6 N -4.10 3.82 -0.25 0.00 0.15 -1.26 -4.94 113.70 107.12 2wrj s SER 6 Ca -0.02 -2.82 -0.15 0.00 0.70 0.00 0.00 55.95 53.66 2wrj s SER 6 Cb 0.14 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.21 2wrj s SER 6 CO 0.88 -0.24 0.36 -0.69 1.20 0.00 0.00 173.24 174.75 2wrj s VAL 7 N 0.06 5.20 0.19 4.45 1.01 -1.26 -5.06 120.40 124.98 2wrj s VAL 7 Ca 0.18 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.77 2wrj s VAL 7 Cb -0.22 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2wrj s VAL 7 CO -0.02 0.20 0.13 0.29 0.00 0.00 0.00 175.10 175.71 2wrj n LYS 8 N 4.99 0.36 -2.96 2.72 5.02 -1.26 -5.10 118.16 121.93 2wrj n LYS 8 Ca -0.09 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 2wrj n LYS 8 Cb 0.51 1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 36.83 2wrj n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wrj s ARG 9 N -2.76 3.76 0.00 1.97 0.52 -1.26 -4.92 118.95 116.26 2wrj s ARG 9 Ca 0.19 0.32 0.20 0.00 -0.52 0.00 0.00 55.73 55.91 2wrj s ARG 9 Cb 0.01 -3.80 0.53 0.00 0.52 0.00 0.00 34.95 32.21 2wrj s ARG 9 CO 0.13 -0.83 1.44 -0.89 0.02 0.00 0.00 175.30 175.17 2wrj n ILE 10 N 5.77 0.52 0.00 1.52 5.41 -1.26 -4.89 119.36 126.43 2wrj n ILE 10 Ca 0.03 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.15 2wrj n ILE 10 Cb 0.48 0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.96 2wrj n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrj n ASP 12 N 0.00 0.06 0.00 0.00 5.75 -1.26 0.91 116.55 122.01 2wrj n ASP 12 Ca 0.00 0.47 0.04 0.00 -0.01 0.00 0.00 54.79 55.28 2wrj n ASP 12 Cb 0.00 -0.21 0.21 0.00 -1.03 0.00 0.00 41.12 40.09 2wrj n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wrj n LYS 13 N -3.79 0.22 -2.75 0.11 5.02 -1.26 -4.69 118.16 111.02 2wrj n LYS 13 Ca 0.10 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 2wrj n LYS 13 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 2wrj n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrj s LYS 15 N -3.35 0.53 -0.81 0.00 1.02 0.34 -4.96 119.74 112.50 2wrj s LYS 15 Ca 0.61 0.00 -0.25 0.00 0.02 0.00 0.00 55.97 56.36 2wrj s LYS 15 Cb -0.09 -0.64 0.05 0.00 -0.52 0.00 0.00 37.83 36.62 2wrj s LYS 15 CO 0.17 -0.12 1.26 0.08 -0.92 0.00 0.00 175.35 175.82 2wrj s VAL 16 N 1.01 3.94 0.54 3.17 1.01 -1.26 -1.41 120.40 127.40 2wrj s VAL 16 Ca -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2wrj s VAL 16 Cb -0.14 -4.91 0.03 0.00 0.00 0.00 0.00 36.38 31.36 2wrj s VAL 16 CO -0.01 -1.79 0.77 -0.63 0.00 0.00 0.00 175.10 173.44 2wrj s ILE 17 N 5.05 2.83 -0.27 2.22 -1.09 -0.07 -4.95 121.20 124.93 2wrj s ILE 17 Ca 0.36 -0.62 0.19 0.00 -2.23 0.00 0.00 60.65 58.34 2wrj s ILE 17 Cb -0.07 -3.07 0.45 0.00 -1.58 0.00 0.00 42.46 38.19 2wrj s ILE 17 CO 0.06 -0.05 1.28 -1.14 -1.23 0.00 0.00 174.94 173.86 2wrj n ARG 18 N -2.33 1.44 -2.10 2.79 0.63 -1.26 -1.31 116.66 114.52 2wrj n ARG 18 Ca 0.07 -2.47 -0.42 0.00 -0.92 0.00 0.00 57.85 54.11 2wrj n ARG 18 Cb 0.59 -0.68 -0.03 0.00 0.45 0.00 0.00 32.46 32.80 2wrj n ARG 18 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2wrj s ARG 19 N -1.98 4.27 -0.44 -0.14 1.70 -1.24 -3.49 118.95 117.63 2wrj s ARG 19 Ca 0.20 2.15 -0.00 0.00 -0.47 0.00 0.00 55.73 57.60 2wrj s ARG 19 Cb 0.36 -3.35 -0.00 0.00 -0.57 0.00 0.00 34.95 31.39 2wrj s ARG 19 CO -0.08 -0.54 0.37 0.72 -1.08 0.00 0.00 175.30 174.69 2wrj n HIS 20 N 4.50 -0.82 -0.44 5.89 8.25 -1.26 -3.58 115.22 127.76 2wrj n HIS 20 Ca 0.13 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 2wrj n HIS 20 Cb 0.42 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.38 2wrj n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 21 N -1.08 0.00 3.40 -1.41 0.00 -1.23 -4.89 105.19 99.98 2wrj n GLY 21 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2wrj n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 22 N -0.87 3.53 -0.42 1.61 0.52 -1.24 -5.07 118.95 117.01 2wrj s ARG 22 Ca 0.00 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 2wrj s ARG 22 Cb 0.00 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.45 2wrj s ARG 22 CO 0.00 -0.04 1.38 0.08 0.02 0.00 0.00 175.30 176.74 2wrj s VAL 23 N 1.11 3.94 0.33 3.52 1.01 -1.26 -3.68 120.40 125.37 2wrj s VAL 23 Ca 0.02 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.02 2wrj s VAL 23 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2wrj s VAL 23 CO 0.01 -0.78 0.41 -0.31 0.00 0.00 0.00 175.10 174.42 2wrj s TYR 24 N 5.32 3.07 -0.19 5.22 1.51 -0.43 -1.86 117.35 129.99 2wrj s TYR 24 Ca 0.60 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 56.38 2wrj s TYR 24 Cb -0.13 -1.92 0.09 0.00 -0.11 0.00 0.00 41.96 39.90 2wrj s TYR 24 CO 0.32 0.07 0.25 0.08 -1.11 0.00 0.00 175.55 175.16 2wrj s VAL 25 N -2.20 -0.38 0.17 0.71 1.01 -1.26 -0.89 120.40 117.56 2wrj s VAL 25 Ca 0.43 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.45 2wrj s VAL 25 Cb -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wrj s VAL 25 CO 0.30 -0.13 0.05 -0.63 0.00 0.00 0.00 175.10 174.69 2wrj s ILE 26 N 2.37 3.99 0.06 2.22 1.01 -0.50 -0.65 121.20 129.70 2wrj s ILE 26 Ca 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2wrj s ILE 26 Cb -0.15 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2wrj s ILE 26 CO -0.12 -0.11 0.09 0.00 0.00 0.00 0.00 174.94 174.80 2wrj h GLU 28 N 0.00 0.17 -5.09 0.00 4.81 -1.98 -3.43 114.58 109.06 2wrj h GLU 28 Ca -0.05 -0.29 -0.68 0.00 -0.13 0.00 0.00 59.36 58.22 2wrj h GLU 28 Cb 0.19 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 29.50 2wrj h GLU 28 CO 0.06 1.04 -0.04 0.54 -0.73 0.00 0.00 179.01 179.88 2wrj s ASN 29 N -6.86 6.25 0.00 1.04 6.03 -1.26 -4.91 114.94 115.23 2wrj s ASN 29 Ca -0.05 -0.58 0.00 0.00 -1.03 0.00 0.00 52.86 51.21 2wrj s ASN 29 Cb 0.08 -2.27 0.00 0.00 -3.03 0.00 0.00 41.25 36.03 2wrj s ASN 29 CO 0.85 -0.70 0.56 -0.81 -2.03 0.00 0.00 177.10 174.97 2wrj n PRO 30 N 5.93 0.00 -0.02 3.55 -0.04 -1.26 -0.51 135.00 142.65 2wrj n PRO 30 Ca -0.05 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 2wrj n PRO 30 Cb 0.47 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 2wrj n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wrj h LYS 31 N 0.00 0.24 0.00 0.54 1.57 -1.95 -3.21 116.57 113.76 2wrj h LYS 31 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2wrj h LYS 31 Cb 0.56 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wrj h LYS 31 CO 0.00 0.92 0.00 0.45 -0.57 0.00 0.00 179.45 180.25 2wrj h HIS 32 N -0.34 0.00 -1.06 -1.35 3.86 -1.17 -3.20 115.15 111.88 2wrj h HIS 32 Ca -0.03 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.62 2wrj h HIS 32 Cb 1.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 2wrj h HIS 32 CO 0.16 0.00 1.57 1.17 0.86 0.00 0.00 177.93 181.68 2wrj n LYS 33 N -2.35 0.88 0.00 2.45 4.81 -1.21 -4.68 118.16 118.05 2wrj n LYS 33 Ca -0.00 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2wrj n LYS 33 Cb 0.10 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.54 2wrj n LYS 33 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2wrj n GLN 34 N 8.55 2.89 0.00 1.64 6.02 0.18 -3.52 117.38 133.14 2wrj n GLN 34 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2wrj n GLN 34 Cb 0.30 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.56 2wrj n GLN 34 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2wrj n ARG 35 N 0.00 0.00 -2.80 -1.09 0.63 -1.23 -4.52 116.66 107.65 2wrj n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 2wrj n ARG 35 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2wrj n ARG 35 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wrj s GLN 36 N -3.88 4.69 0.00 -0.14 0.74 -0.78 -2.74 119.66 117.55 2wrj s GLN 36 Ca 0.00 1.37 0.00 0.00 0.05 0.00 0.00 55.36 56.78 2wrj s GLN 36 Cb 0.00 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.05 2wrj s GLN 36 CO 0.00 0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.57