#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf n GLN 2 N 0.00 0.00 -3.98 0.03 10.64 -1.26 -5.08 117.38 117.72 1aaf n GLN 2 Ca 0.00 -0.42 -0.23 0.00 -1.83 0.00 0.00 57.00 54.52 1aaf n GLN 2 Cb 0.00 0.25 -0.17 0.00 -0.86 0.00 0.00 30.24 29.46 1aaf n GLN 2 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1aaf s ARG 3 N 0.00 0.98 0.20 2.61 1.81 -1.26 -5.13 118.95 118.15 1aaf s ARG 3 Ca 0.00 -0.08 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 1aaf s ARG 3 Cb 0.00 -1.11 -0.01 0.00 -0.45 0.00 0.00 34.95 33.38 1aaf s ARG 3 CO 0.00 -0.20 0.09 0.41 -0.68 0.00 0.00 175.30 174.92 1aaf n GLY 4 N 4.66 3.61 3.27 -3.53 0.00 -1.26 -5.16 105.19 106.78 1aaf n GLY 4 Ca -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 43.94 1aaf n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aaf s ASN 5 N -2.26 -0.44 -0.30 1.61 3.04 -1.26 -5.12 114.94 110.21 1aaf s ASN 5 Ca 0.13 0.47 -0.13 0.00 0.04 0.00 0.00 52.86 53.37 1aaf s ASN 5 Cb 0.01 1.45 0.18 0.00 -1.54 0.00 0.00 41.25 41.35 1aaf s ASN 5 CO 0.09 -0.08 1.10 0.72 -3.04 0.00 0.00 177.10 175.89 1aaf s PHE 6 N 2.53 -0.32 0.23 0.43 -0.12 -1.26 -5.18 117.98 114.30 1aaf s PHE 6 Ca -0.01 0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 56.85 1aaf s PHE 6 Cb -0.06 0.06 0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1aaf s PHE 6 CO -0.15 -0.19 0.94 1.03 -0.05 0.00 0.00 175.22 176.80 1aaf s ARG 7 N 2.97 1.55 0.20 1.99 3.00 -1.26 -5.19 118.95 122.21 1aaf s ARG 7 Ca 0.28 -0.96 0.04 0.00 0.00 0.00 0.00 55.73 55.08 1aaf s ARG 7 Cb -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 34.95 35.35 1aaf s ARG 7 CO -0.22 -0.72 -0.03 -0.80 0.00 0.00 0.00 175.30 173.53 1aaf s ASN 8 N -3.18 1.73 0.00 0.23 0.01 -1.26 -5.17 114.94 107.31 1aaf s ASN 8 Ca 0.17 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.16 1aaf s ASN 8 Cb -0.03 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.65 1aaf s ASN 8 CO 0.06 -0.48 0.00 0.00 -1.51 0.00 0.00 177.10 175.18 1aaf n GLN 9 N -0.34 1.97 0.00 -0.60 1.13 -1.26 -5.12 117.38 113.17 1aaf n GLN 9 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1aaf n GLN 9 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.98 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1aaf n ARG 10 N -0.51 0.00 -2.33 -1.09 1.74 -1.26 -5.14 116.66 108.07 1aaf n ARG 10 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1aaf n ARG 10 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1aaf n LYS 11 N -0.87 -4.78 -3.60 5.56 3.00 -1.26 -5.06 118.16 111.15 1aaf n LYS 11 Ca 0.00 3.52 -0.03 0.00 -0.00 0.00 0.00 58.31 61.80 1aaf n LYS 11 Cb 0.00 -4.57 -0.06 0.00 0.00 0.00 0.00 35.03 30.40 1aaf n LYS 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1aaf s ILE 12 N -0.58 -0.87 -0.32 3.15 -1.16 -1.26 -4.86 121.20 115.29 1aaf s ILE 12 Ca -0.07 0.05 0.03 0.00 -0.51 0.00 0.00 60.65 60.16 1aaf s ILE 12 Cb 0.00 -0.88 0.23 0.00 0.61 0.00 0.00 42.46 42.42 1aaf s ILE 12 CO 0.18 0.02 1.28 0.00 -2.81 0.00 0.00 174.94 173.61 1aaf n ILE 13 N 5.43 0.00 -1.26 2.00 3.06 -1.26 -5.14 119.36 122.18 1aaf n ILE 13 Ca -0.10 -0.67 0.16 0.00 -2.50 0.00 0.00 62.75 59.64 1aaf n ILE 13 Cb 0.49 0.90 -0.05 0.00 0.54 0.00 0.00 39.64 41.52 1aaf n ILE 13 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1aaf n LYS 14 N 0.11 -2.53 -3.93 9.51 0.00 -1.26 -4.82 118.16 115.25 1aaf n LYS 14 Ca -0.13 1.83 -0.35 0.00 -0.00 0.00 0.00 58.31 59.65 1aaf n LYS 14 Cb 0.72 -3.10 -0.13 0.00 -0.00 0.00 0.00 35.03 32.51 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf h PHE 16 N 8.00 0.00 0.00 0.00 0.04 -1.87 -0.84 116.94 122.26 1aaf h PHE 16 Ca -0.40 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.12 1aaf h PHE 16 Cb 1.17 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.28 1aaf h PHE 16 CO 0.60 0.00 -1.46 -1.71 -0.60 0.00 0.00 178.31 175.15 1aaf n ASN 17 N -2.76 1.88 -0.00 2.17 5.15 -1.26 -4.42 115.26 116.01 1aaf n ASN 17 Ca 0.02 0.42 -0.19 0.00 -0.60 0.00 0.00 54.58 54.22 1aaf n ASN 17 Cb 0.31 -0.93 -0.14 0.00 -0.53 0.00 0.00 39.78 38.50 1aaf n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aaf n GLY 19 N 1.95 2.23 3.39 0.00 0.00 -0.32 -5.09 105.19 107.35 1aaf n GLY 19 Ca -0.30 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1aaf n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 20 N 0.00 -2.05 0.00 1.61 1.02 -1.25 -4.48 119.74 114.59 1aaf s LYS 20 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1aaf s LYS 20 Cb 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 1aaf s LYS 20 CO 0.00 -4.37 0.00 -0.85 -0.92 0.00 0.00 175.35 169.21 1aaf n GLU 21 N -5.32 2.50 0.29 1.68 0.28 -1.26 -0.12 120.64 118.70 1aaf n GLU 21 Ca 0.08 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.23 1aaf n GLU 21 Cb 0.57 -1.00 0.90 0.00 1.43 0.00 0.00 31.44 33.35 1aaf n GLU 21 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1aaf h GLY 22 N 0.00 0.00 -1.27 -1.84 0.00 -1.96 -3.37 103.07 94.63 1aaf h GLY 22 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1aaf h GLY 22 CO 0.00 0.00 -0.51 -2.38 0.00 0.00 0.00 176.54 173.65 1aaf s HIS 23 N -4.49 1.78 0.33 5.60 -3.43 -1.26 -5.06 115.29 108.75 1aaf s HIS 23 Ca -0.04 -1.34 0.10 0.00 -0.80 0.00 0.00 55.06 52.98 1aaf s HIS 23 Cb 0.14 -1.11 -0.06 0.00 -1.43 0.00 0.00 32.58 30.13 1aaf s HIS 23 CO 0.54 -0.37 -0.08 0.96 -2.00 0.00 0.00 174.74 173.79 1aaf s ILE 24 N -3.23 2.43 -0.16 -5.38 -0.00 -1.26 -3.43 121.20 110.17 1aaf s ILE 24 Ca 0.25 -2.17 0.17 0.00 -0.00 0.00 0.00 60.65 58.91 1aaf s ILE 24 Cb 0.02 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.46 39.80 1aaf s ILE 24 CO 0.16 -0.24 1.05 0.00 -0.00 0.00 0.00 174.94 175.91 1aaf h ALA 25 N 2.00 0.65 0.00 2.27 0.00 -1.93 -1.32 119.26 120.93 1aaf h ALA 25 Ca -0.42 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 1aaf h ALA 25 Cb 1.25 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1aaf h ALA 25 CO 0.67 0.66 -0.03 -0.22 0.00 0.00 0.00 179.25 180.33 1aaf h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.97 -0.05 116.57 118.19 1aaf h LYS 26 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1aaf h LYS 26 Cb 1.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1aaf h LYS 26 CO 0.04 0.03 -0.61 -0.97 -2.27 0.00 0.00 179.45 175.67 1aaf h ASN 27 N 0.00 0.00 -3.53 4.20 -0.73 -1.69 -3.47 115.58 110.35 1aaf h ASN 27 Ca -0.00 -0.05 -0.62 0.00 1.87 0.00 0.00 56.30 57.50 1aaf h ASN 27 Cb 0.07 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.54 1aaf h ASN 27 CO 0.00 0.03 0.09 0.00 -0.37 0.00 0.00 177.43 177.18 1aaf n ARG 29 N 5.70 3.35 -1.90 0.00 0.00 -1.26 -4.95 116.66 117.59 1aaf n ARG 29 Ca -0.02 -4.35 -0.38 0.00 -0.00 0.00 0.00 57.85 53.11 1aaf n ARG 29 Cb 0.49 -2.26 0.03 0.00 -0.00 0.00 0.00 32.46 30.73 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1aaf s ALA 30 N -3.62 2.78 0.89 2.89 0.00 -1.26 -5.03 121.76 118.41 1aaf s ALA 30 Ca 0.49 1.21 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1aaf s ALA 30 Cb 0.41 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 20.13 1aaf s ALA 30 CO -0.20 -1.23 0.76 -0.35 0.00 0.00 0.00 175.76 174.74 1aaf n PRO 31 N -1.06 -0.53 0.00 0.00 -0.04 -1.26 -5.06 135.00 127.05 1aaf n PRO 31 Ca 0.11 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1aaf n PRO 31 Cb 0.46 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 1aaf n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aaf n ARG 32 N -2.57 0.00 -3.61 0.54 5.12 -1.26 -5.03 116.66 109.85 1aaf n ARG 32 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1aaf n ARG 32 Cb 0.36 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.65 1aaf n ARG 32 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1aaf s LYS 33 N 0.00 0.27 -0.10 5.56 -2.85 -1.26 -5.19 119.74 116.17 1aaf s LYS 33 Ca 0.00 -0.13 -0.33 0.00 -1.00 0.00 0.00 55.97 54.51 1aaf s LYS 33 Cb 0.00 0.10 0.15 0.00 -2.06 0.00 0.00 37.83 36.02 1aaf s LYS 33 CO 0.00 -0.12 1.44 -0.98 0.10 0.00 0.00 175.35 175.79 1aaf s ARG 34 N -2.31 0.01 0.00 1.78 1.70 -1.26 -5.19 118.95 113.68 1aaf s ARG 34 Ca 0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 1aaf s ARG 34 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1aaf s ARG 34 CO -0.04 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 1aaf n GLY 35 N -0.50 0.66 3.71 3.88 0.00 -1.26 -4.82 105.19 106.86 1aaf n GLY 35 Ca -0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf h TRP 37 N 7.26 0.32 0.29 0.00 2.91 -1.89 0.53 115.95 125.37 1aaf h TRP 37 Ca -0.44 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 59.45 1aaf h TRP 37 Cb 1.20 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1aaf h TRP 37 CO 0.68 0.79 -0.14 -0.22 -1.03 0.00 0.00 178.44 178.52 1aaf h LYS 38 N 0.19 -0.37 0.00 2.65 1.63 -1.95 -3.40 116.57 115.31 1aaf h LYS 38 Ca -0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1aaf h LYS 38 Cb 1.11 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1aaf h LYS 38 CO 0.09 -0.25 -1.66 0.00 -3.45 0.00 0.00 179.45 174.19 1aaf n GLY 40 N 1.27 3.20 3.76 0.00 0.00 0.18 -5.03 105.19 108.57 1aaf n GLY 40 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1aaf n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aaf s LYS 41 N -0.48 4.52 -0.49 1.61 2.47 -1.25 -4.00 119.74 122.11 1aaf s LYS 41 Ca 0.00 1.97 0.02 0.00 -1.56 0.00 0.00 55.97 56.40 1aaf s LYS 41 Cb 0.00 -3.15 0.56 0.00 -1.46 0.00 0.00 37.83 33.78 1aaf s LYS 41 CO 0.00 0.03 1.92 -0.85 0.16 0.00 0.00 175.35 176.61 1aaf n GLU 42 N 1.17 2.31 -0.51 4.03 0.28 -1.26 0.31 120.64 126.96 1aaf n GLU 42 Ca -0.00 -2.90 0.06 0.00 -0.16 0.00 0.00 57.16 54.16 1aaf n GLU 42 Cb 0.44 -2.14 0.10 0.00 1.43 0.00 0.00 31.44 31.27 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aaf n GLY 43 N -0.94 3.26 0.00 -1.84 0.00 -1.26 -4.91 105.19 99.50 1aaf n GLY 43 Ca 0.57 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aaf n HIS 44 N -0.71 0.00 -1.89 1.61 1.44 -1.26 -5.02 115.22 109.38 1aaf n HIS 44 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1aaf n HIS 44 Cb 0.74 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.85 1aaf n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1aaf n GLN 45 N -0.01 0.92 0.30 -1.40 -0.00 -1.26 -4.04 117.38 111.88 1aaf n GLN 45 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.00 57.17 1aaf n GLN 45 Cb 0.00 0.00 0.92 0.00 -0.00 0.00 0.00 30.24 31.16 1aaf n GLN 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1aaf h MET 46 N 0.00 0.00 -0.31 2.61 1.85 -2.00 -0.33 114.93 116.75 1aaf h MET 46 Ca 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1aaf h MET 46 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1aaf h MET 46 CO 0.00 0.04 0.01 -0.22 -0.40 0.00 0.00 176.91 176.35 1aaf h LYS 47 N 0.00 0.54 -0.93 0.39 1.63 -2.03 -1.61 116.57 114.55 1aaf h LYS 47 Ca -0.00 -0.16 -0.42 0.00 -0.85 0.00 0.00 60.65 59.22 1aaf h LYS 47 Cb 0.15 -0.05 -0.25 0.00 -0.60 0.00 0.00 32.23 31.48 1aaf h LYS 47 CO 0.01 0.66 0.53 -0.25 -3.45 0.00 0.00 179.45 176.95 1aaf n ASP 48 N -4.57 4.04 -4.79 4.20 9.92 -0.17 -4.96 116.55 120.21 1aaf n ASP 48 Ca -0.02 -3.45 -0.36 0.00 -0.53 0.00 0.00 54.79 50.43 1aaf n ASP 48 Cb 0.25 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 39.86 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aaf n THR 50 N 0.14 2.87 -1.38 0.00 -2.24 -1.26 -5.03 114.28 107.38 1aaf n THR 50 Ca 0.04 -1.69 0.17 0.00 -2.27 0.00 0.00 64.05 60.30 1aaf n THR 50 Cb 0.51 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 1aaf n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aaf n GLU 51 N -0.78 -2.90 -0.68 -0.78 4.71 -1.26 -4.61 120.64 114.34 1aaf n GLU 51 Ca 0.49 2.17 0.01 0.00 -0.01 0.00 0.00 57.16 59.82 1aaf n GLU 51 Cb 1.34 -3.50 0.24 0.00 -1.01 0.00 0.00 31.44 28.50 1aaf n GLU 51 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1aaf n ARG 52 N -4.13 2.53 -0.95 3.49 1.85 -1.26 -4.23 116.66 113.96 1aaf n ARG 52 Ca -0.04 -3.01 -0.05 0.00 -1.00 0.00 0.00 57.85 53.75 1aaf n ARG 52 Cb 0.67 -1.89 0.29 0.00 -1.05 0.00 0.00 32.46 30.48 1aaf n ARG 52 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1aaf n GLN 53 N -0.76 3.39 -0.50 2.89 1.13 -1.26 -4.91 117.38 117.36 1aaf n GLN 53 Ca 0.30 -3.08 0.00 0.00 -1.94 0.00 0.00 57.00 52.28 1aaf n GLN 53 Cb 1.04 -2.14 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aaf n ALA 54 N -0.34 0.00 -0.74 -1.58 0.00 -1.26 -5.26 120.51 111.33 1aaf n ALA 54 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1aaf n ALA 54 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.77 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59