#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 -1.57 -2.58 2.12 7.27 -1.26 -3.62 117.38 117.74 1aaf n GLN 2 Ca 0.00 1.63 -0.19 0.00 0.07 0.00 0.00 57.00 58.51 1aaf n GLN 2 Cb 0.00 -5.35 0.01 0.00 2.41 0.00 0.00 30.24 27.31 1aaf n GLN 2 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1aaf n ARG 3 N -1.17 -2.63 -2.81 3.69 0.63 -1.26 -4.94 116.66 108.16 1aaf n ARG 3 Ca 0.04 0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 57.41 1aaf n ARG 3 Cb 0.47 -5.44 -0.04 0.00 0.45 0.00 0.00 32.46 27.90 1aaf n ARG 3 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1aaf s GLY 4 N -2.39 1.71 0.00 5.14 0.00 -1.24 -5.02 107.32 105.52 1aaf s GLY 4 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1aaf s GLY 4 CO 0.13 1.94 0.00 0.70 0.00 0.00 0.00 173.10 175.88 1aaf n ASN 5 N 6.21 0.00 -4.34 1.64 3.02 -1.26 -4.21 115.26 116.33 1aaf n ASN 5 Ca 0.08 -0.34 -0.30 0.00 -0.03 0.00 0.00 54.58 53.99 1aaf n ASN 5 Cb 0.47 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.80 1aaf n ASN 5 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1aaf s PHE 6 N 1.34 1.95 -0.05 3.10 0.40 -1.26 -5.03 117.98 118.43 1aaf s PHE 6 Ca 0.00 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1aaf s PHE 6 Cb 0.00 -3.93 -0.06 0.00 0.51 0.00 0.00 43.02 39.54 1aaf s PHE 6 CO 0.00 -2.44 0.02 -2.13 0.70 0.00 0.00 175.22 171.37 1aaf n ARG 7 N -3.67 3.00 0.00 0.44 0.00 -1.26 -5.01 116.66 110.16 1aaf n ARG 7 Ca 0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 1aaf n ARG 7 Cb 0.60 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.93 1aaf n ARG 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1aaf n ASN 8 N -2.16 0.00 -1.11 6.15 4.13 -1.26 -5.15 115.26 115.85 1aaf n ASN 8 Ca -0.08 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.23 1aaf n ASN 8 Cb 0.64 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aaf n GLN 9 N -0.85 -0.73 -1.60 3.52 10.64 -1.26 -5.02 117.38 122.08 1aaf n GLN 9 Ca 0.00 0.48 0.00 0.00 -1.83 0.00 0.00 57.00 55.65 1aaf n GLN 9 Cb 0.00 -0.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1aaf n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1aaf n ARG 10 N -2.56 -4.28 -2.97 2.61 3.00 -1.26 -5.10 116.66 106.10 1aaf n ARG 10 Ca 0.00 3.11 -0.09 0.00 -0.00 0.00 0.00 57.85 60.87 1aaf n ARG 10 Cb 0.17 -3.33 -0.03 0.00 0.00 0.00 0.00 32.46 29.26 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1aaf n LYS 11 N 0.89 0.42 -2.60 -0.14 3.00 -1.26 -4.85 118.16 113.62 1aaf n LYS 11 Ca 0.00 -1.43 -0.21 0.00 -0.00 0.00 0.00 58.31 56.67 1aaf n LYS 11 Cb 0.00 1.01 0.01 0.00 0.00 0.00 0.00 35.03 36.04 1aaf n LYS 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1aaf n ILE 12 N -0.32 -1.32 -3.67 3.15 -0.00 -1.26 -4.95 119.36 110.99 1aaf n ILE 12 Ca 0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.55 1aaf n ILE 12 Cb 0.26 -3.12 -0.04 0.00 -0.00 0.00 0.00 39.64 36.74 1aaf n ILE 12 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1aaf s ILE 13 N -3.08 2.69 -0.15 1.39 -4.36 -1.26 -4.65 121.20 111.78 1aaf s ILE 13 Ca 0.10 -1.40 -0.08 0.00 -0.26 0.00 0.00 60.65 59.00 1aaf s ILE 13 Cb -0.05 -3.01 0.03 0.00 1.25 0.00 0.00 42.46 40.68 1aaf s ILE 13 CO 0.13 -0.02 0.17 2.29 0.24 0.00 0.00 174.94 177.75 1aaf n LYS 14 N -1.48 -3.64 -1.80 0.37 2.85 -1.26 -4.81 118.16 108.39 1aaf n LYS 14 Ca 0.02 2.82 -0.42 0.00 -1.05 0.00 0.00 58.31 59.68 1aaf n LYS 14 Cb 0.62 -3.95 -0.03 0.00 -0.65 0.00 0.00 35.03 31.02 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1aaf h PHE 16 N 9.00 0.00 0.00 0.00 3.57 -1.86 0.98 116.94 128.64 1aaf h PHE 16 Ca -0.45 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.76 1aaf h PHE 16 Cb 1.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1aaf h PHE 16 CO 0.83 0.11 -1.58 -1.71 -2.23 0.00 0.00 178.31 173.73 1aaf n ASN 17 N -3.25 1.89 0.00 0.41 5.15 -1.26 -4.24 115.26 113.95 1aaf n ASN 17 Ca 0.00 0.40 -0.05 0.00 -0.60 0.00 0.00 54.58 54.33 1aaf n ASN 17 Cb 0.36 -0.93 -0.12 0.00 -0.53 0.00 0.00 39.78 38.57 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 1.49 2.62 3.68 0.00 0.00 0.34 -5.04 105.19 108.28 1aaf n GLY 19 Ca -0.14 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 1.00 -0.16 1.61 -0.14 -1.24 -4.39 119.74 116.42 1aaf s LYS 20 Ca 0.00 0.97 -0.06 0.00 -1.36 0.00 0.00 55.97 55.52 1aaf s LYS 20 Cb 0.00 -1.77 -0.04 0.00 -1.68 0.00 0.00 37.83 34.34 1aaf s LYS 20 CO 0.00 -2.46 0.05 -1.83 -0.76 0.00 0.00 175.35 170.35 1aaf s GLU 21 N -4.82 3.74 0.00 1.68 1.03 -1.26 -1.16 118.70 117.92 1aaf s GLU 21 Ca 0.64 -0.34 0.00 0.00 0.03 0.00 0.00 54.97 55.30 1aaf s GLU 21 Cb -0.20 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 30.01 1aaf s GLU 21 CO 0.58 0.40 0.00 0.41 -1.33 0.00 0.00 175.26 175.32 1aaf n GLY 22 N 3.13 1.98 3.84 -3.83 0.00 -1.26 -4.97 105.19 104.09 1aaf n GLY 22 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 23 N -2.00 0.01 0.37 1.61 -3.43 -1.26 -5.06 115.29 105.53 1aaf s HIS 23 Ca 0.00 -0.28 0.08 0.00 -0.80 0.00 0.00 55.06 54.06 1aaf s HIS 23 Cb 0.00 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 1aaf s HIS 23 CO 0.00 -0.65 0.17 0.96 -2.00 0.00 0.00 174.74 173.21 1aaf s ILE 24 N -2.36 2.75 -0.04 -5.38 -4.36 -1.26 -2.49 121.20 108.05 1aaf s ILE 24 Ca 0.21 -1.68 0.12 0.00 -0.26 0.00 0.00 60.65 59.03 1aaf s ILE 24 Cb -0.01 -2.97 -0.11 0.00 1.25 0.00 0.00 42.46 40.62 1aaf s ILE 24 CO 0.02 -0.11 1.17 0.00 0.24 0.00 0.00 174.94 176.25 1aaf h ALA 25 N 1.48 0.57 0.00 2.27 0.00 -1.94 -1.71 119.26 119.94 1aaf h ALA 25 Ca -0.43 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 53.65 1aaf h ALA 25 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1aaf h ALA 25 CO 0.65 1.03 -0.02 -0.22 0.00 0.00 0.00 179.25 180.69 1aaf h LYS 26 N 0.00 0.00 -0.58 0.00 1.63 -2.04 -1.82 116.57 113.77 1aaf h LYS 26 Ca -0.07 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.44 1aaf h LYS 26 Cb 1.64 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 33.10 1aaf h LYS 26 CO 0.09 0.02 0.18 -1.71 -3.45 0.00 0.00 179.45 174.57 1aaf n ASN 27 N -4.22 3.05 -4.44 4.20 2.85 -0.66 -5.00 115.26 111.05 1aaf n ASN 27 Ca -0.03 -3.67 -0.37 0.00 -0.11 0.00 0.00 54.58 50.40 1aaf n ASN 27 Cb 0.10 -0.70 -0.12 0.00 1.24 0.00 0.00 39.78 40.30 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aaf n ARG 29 N 4.94 2.13 -2.98 0.00 0.00 -1.26 -4.99 116.66 114.50 1aaf n ARG 29 Ca -0.15 -2.50 -0.34 0.00 -0.00 0.00 0.00 57.85 54.86 1aaf n ARG 29 Cb 0.51 -1.98 -0.06 0.00 0.00 0.00 0.00 32.46 30.92 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 -2.81 3.23 0.53 5.13 0.00 -1.26 -5.06 121.76 121.52 1aaf s ALA 30 Ca 0.48 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1aaf s ALA 30 Cb 0.39 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.49 1aaf s ALA 30 CO 0.05 0.24 0.99 -1.25 0.00 0.00 0.00 175.76 175.80 1aaf s PRO 31 N -2.76 3.88 -0.25 0.00 0.04 -1.26 -5.09 135.00 129.56 1aaf s PRO 31 Ca 0.54 0.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.36 1aaf s PRO 31 Cb -0.12 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.37 1aaf s PRO 31 CO 0.17 -0.33 0.59 -0.98 0.04 0.00 0.00 177.00 176.50 1aaf s ARG 32 N -4.28 0.58 0.16 4.56 1.04 -1.26 -5.03 118.95 114.73 1aaf s ARG 32 Ca 0.58 1.14 -0.00 0.00 -1.04 0.00 0.00 55.73 56.40 1aaf s ARG 32 Cb -0.10 0.21 0.00 0.00 -2.04 0.00 0.00 34.95 33.02 1aaf s ARG 32 CO 0.36 -0.17 0.21 0.36 -0.04 0.00 0.00 175.30 176.03 1aaf n LYS 33 N 4.54 0.31 -3.62 3.89 2.85 -1.26 -5.19 118.16 119.68 1aaf n LYS 33 Ca -0.19 -1.32 -0.16 0.00 -1.05 0.00 0.00 58.31 55.60 1aaf n LYS 33 Cb 0.56 1.25 -0.07 0.00 -0.65 0.00 0.00 35.03 36.11 1aaf n LYS 33 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1aaf s ARG 34 N -2.40 0.86 0.00 -1.58 6.06 -1.26 -5.18 118.95 115.45 1aaf s ARG 34 Ca 0.14 0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.66 1aaf s ARG 34 Cb -0.00 0.40 0.00 0.00 0.06 0.00 0.00 34.95 35.41 1aaf s ARG 34 CO 0.10 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 1aaf n GLY 35 N 1.50 0.71 2.88 8.12 0.00 -1.26 -4.17 105.19 112.97 1aaf n GLY 35 Ca -0.18 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf n TRP 37 N 4.96 2.73 0.01 0.00 -0.00 -1.26 -0.92 117.44 122.95 1aaf n TRP 37 Ca -0.12 -1.82 -0.02 0.00 -0.00 0.00 0.00 57.50 55.55 1aaf n TRP 37 Cb 0.50 -0.92 -0.01 0.00 -0.00 0.00 0.00 31.31 30.88 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1aaf n LYS 38 N -0.91 0.09 0.06 5.87 0.00 -1.26 -4.75 118.16 117.27 1aaf n LYS 38 Ca 0.53 0.04 -0.13 0.00 0.00 0.00 0.00 58.31 58.74 1aaf n LYS 38 Cb 1.43 -0.57 -0.14 0.00 0.00 0.00 0.00 35.03 35.75 1aaf n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf n GLY 40 N 1.54 1.89 3.73 0.00 0.00 -0.10 -5.08 105.19 107.17 1aaf n GLY 40 Ca -0.10 0.00 -0.33 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 -0.15 2.15 -0.30 1.61 2.20 -1.23 -4.60 119.74 119.42 1aaf s LYS 41 Ca 0.00 1.60 0.10 0.00 -0.36 0.00 0.00 55.97 57.32 1aaf s LYS 41 Cb 0.00 -1.85 0.64 0.00 -1.51 0.00 0.00 37.83 35.11 1aaf s LYS 41 CO 0.00 -1.79 1.67 -0.85 -0.36 0.00 0.00 175.35 174.02 1aaf n GLU 42 N -2.91 2.99 -0.08 4.03 0.28 -1.26 -0.71 120.64 122.97 1aaf n GLU 42 Ca 0.12 -3.06 -0.12 0.00 -0.16 0.00 0.00 57.16 53.94 1aaf n GLU 42 Cb 0.51 -2.05 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 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 -0.55 -0.44 3.85 -1.84 0.00 -1.26 -4.63 105.19 100.31 1aaf n GLY 43 Ca 0.37 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1aaf n GLY 43 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aaf s HIS 44 N -2.68 1.81 0.32 1.61 -3.43 -1.26 -4.77 115.29 106.88 1aaf s HIS 44 Ca -0.27 -0.84 0.07 0.00 -0.80 0.00 0.00 55.06 53.22 1aaf s HIS 44 Cb 0.06 -1.85 -0.02 0.00 -1.43 0.00 0.00 32.58 29.34 1aaf s HIS 44 CO 0.38 -0.23 0.39 -0.65 -2.00 0.00 0.00 174.74 172.63 1aaf s GLN 45 N -4.14 3.00 0.17 -0.38 -1.52 -1.26 -3.20 119.66 112.33 1aaf s GLN 45 Ca 0.28 -1.09 -0.12 0.00 -1.95 0.00 0.00 55.36 52.48 1aaf s GLN 45 Cb -0.01 -2.69 0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1aaf s GLN 45 CO 0.17 0.12 1.71 0.52 -0.25 0.00 0.00 175.29 177.56 1aaf h MET 46 N 1.07 0.92 0.00 2.91 2.86 -1.95 0.77 114.93 121.50 1aaf h MET 46 Ca -0.46 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 56.97 1aaf h MET 46 Cb 1.25 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1aaf h MET 46 CO 0.56 0.80 -0.13 0.87 1.06 0.00 0.00 176.91 180.07 1aaf h LYS 47 N 0.84 0.00 -0.57 1.72 1.57 -1.98 0.42 116.57 118.57 1aaf h LYS 47 Ca 0.20 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 1aaf h LYS 47 Cb 0.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.41 1aaf h LYS 47 CO -0.01 0.13 0.18 -3.47 -0.57 0.00 0.00 179.45 175.71 1aaf n ASP 48 N -4.19 3.28 -4.63 0.86 2.03 -0.22 -4.96 116.55 108.72 1aaf n ASP 48 Ca -0.02 -3.58 -0.43 0.00 0.52 0.00 0.00 54.79 51.28 1aaf n ASP 48 Cb 0.21 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aaf n THR 50 N 6.19 2.80 -3.30 0.00 5.66 -1.26 -4.46 114.28 119.91 1aaf n THR 50 Ca 0.15 -1.51 -0.26 0.00 -3.05 0.00 0.00 64.05 59.39 1aaf n THR 50 Cb 0.46 -0.37 -0.09 0.00 -1.55 0.00 0.00 70.33 68.79 1aaf n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1aaf n GLU 51 N -0.02 0.43 -4.11 1.09 4.07 -1.26 -5.12 120.64 115.72 1aaf n GLU 51 Ca 0.38 -3.20 -0.15 0.00 -0.06 0.00 0.00 57.16 54.13 1aaf n GLU 51 Cb 1.32 -1.45 -0.12 0.00 -0.06 0.00 0.00 31.44 31.13 1aaf n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1aaf s ARG 52 N -0.53 0.62 -0.68 5.31 1.04 -1.26 -4.83 118.95 118.62 1aaf s ARG 52 Ca 0.34 -0.78 -0.26 0.00 -1.04 0.00 0.00 55.73 53.99 1aaf s ARG 52 Cb 0.10 -0.48 -0.01 0.00 -2.04 0.00 0.00 34.95 32.52 1aaf s ARG 52 CO -0.16 0.10 1.72 -0.65 -0.04 0.00 0.00 175.30 176.27 1aaf s GLN 53 N -1.51 2.78 0.00 3.89 -0.21 -1.26 -4.54 119.66 118.81 1aaf s GLN 53 Ca -0.06 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.58 1aaf s GLN 53 Cb -0.09 -4.44 0.00 0.00 1.00 0.00 0.00 33.01 29.48 1aaf s GLN 53 CO 0.01 -2.64 0.00 0.00 -2.12 0.00 0.00 175.29 170.54 1aaf n ALA 54 N 11.95 2.78 -1.61 6.09 0.00 -1.26 -5.29 120.51 133.17 1aaf n ALA 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1aaf n ALA 54 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1aaf n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77