#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aaf s GLN 2 N 0.00 2.67 -1.64 0.03 0.74 -1.26 -4.50 119.66 115.70 1aaf s GLN 2 Ca 0.00 -0.72 -0.00 0.00 0.05 0.00 0.00 55.36 54.69 1aaf s GLN 2 Cb 0.00 -2.38 0.00 0.00 1.10 0.00 0.00 33.01 31.73 1aaf s GLN 2 CO 0.00 -0.23 0.01 -2.13 -0.55 0.00 0.00 175.29 172.39 1aaf n ARG 3 N 4.68 -1.57 0.00 1.67 3.00 -1.26 -4.30 116.66 118.88 1aaf n ARG 3 Ca -0.19 0.93 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1aaf n ARG 3 Cb 0.50 -5.50 0.00 0.00 0.00 0.00 0.00 32.46 27.46 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aaf n GLY 4 N -1.02 3.51 0.00 5.14 0.00 -1.26 -4.96 105.19 106.60 1aaf n GLY 4 Ca -0.23 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1aaf n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aaf n ASN 5 N 0.00 -1.14 -4.58 1.61 0.23 -1.26 -3.46 115.26 106.66 1aaf n ASN 5 Ca 0.00 -0.21 -0.27 0.00 -0.53 0.00 0.00 54.58 53.57 1aaf n ASN 5 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1aaf n ASN 5 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1aaf s PHE 6 N -0.79 1.85 0.23 -2.53 0.08 -1.26 -4.67 117.98 110.90 1aaf s PHE 6 Ca 0.00 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.72 1aaf s PHE 6 Cb 0.00 -3.94 -0.00 0.00 -0.57 0.00 0.00 43.02 38.51 1aaf s PHE 6 CO 0.00 -1.26 0.29 0.54 -0.10 0.00 0.00 175.22 174.69 1aaf n ARG 7 N 8.39 0.42 -0.89 0.44 1.74 -1.26 -5.14 116.66 120.35 1aaf n ARG 7 Ca 0.44 -1.94 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 1aaf n ARG 7 Cb 0.47 1.80 0.00 0.00 -1.02 0.00 0.00 32.46 33.70 1aaf n ARG 7 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aaf n ASN 8 N -1.87 -5.21 -1.40 0.55 3.02 -1.26 -5.05 115.26 104.03 1aaf n ASN 8 Ca 0.01 0.75 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1aaf n ASN 8 Cb 0.39 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aaf n GLN 9 N -1.11 1.69 -0.65 3.52 6.02 -1.26 -5.01 117.38 120.58 1aaf n GLN 9 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1aaf n GLN 9 Cb 0.04 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1aaf n ARG 10 N -0.63 -1.31 -3.15 -1.09 1.74 -1.26 -4.98 116.66 105.97 1aaf n ARG 10 Ca 0.00 0.86 0.06 0.00 -0.77 0.00 0.00 57.85 58.00 1aaf n ARG 10 Cb 0.00 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 1aaf n ARG 10 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1aaf s LYS 11 N -1.06 0.13 0.04 5.56 -2.85 -1.26 -5.07 119.74 115.23 1aaf s LYS 11 Ca 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 1aaf s LYS 11 Cb 0.00 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1aaf s LYS 11 CO 0.00 -0.14 0.00 0.44 0.10 0.00 0.00 175.35 175.75 1aaf n ILE 12 N 5.48 0.16 -3.64 3.79 -5.35 -1.26 -5.10 119.36 113.44 1aaf n ILE 12 Ca -0.08 0.05 -0.03 0.00 -0.27 0.00 0.00 62.75 62.43 1aaf n ILE 12 Cb 0.54 -1.10 -0.05 0.00 -1.74 0.00 0.00 39.64 37.29 1aaf n ILE 12 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1aaf s ILE 13 N -2.00 -0.92 0.24 7.28 1.10 -1.26 -5.16 121.20 120.48 1aaf s ILE 13 Ca 0.00 0.04 -0.14 0.00 -0.51 0.00 0.00 60.65 60.03 1aaf s ILE 13 Cb 0.00 -0.92 0.00 0.00 0.15 0.00 0.00 42.46 41.69 1aaf s ILE 13 CO 0.00 0.02 0.51 -1.59 -2.11 0.00 0.00 174.94 171.76 1aaf s LYS 14 N 2.83 1.52 0.11 3.50 -2.85 -1.26 -4.81 119.74 118.78 1aaf s LYS 14 Ca -0.04 -1.14 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 1aaf s LYS 14 Cb -0.12 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 1aaf s LYS 14 CO -0.18 -0.64 1.72 0.00 0.10 0.00 0.00 175.35 176.35 1aaf h PHE 16 N 8.23 0.00 0.00 0.00 -1.00 -1.87 -0.14 116.94 122.15 1aaf h PHE 16 Ca -0.44 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.05 1aaf h PHE 16 Cb 1.21 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.73 1aaf h PHE 16 CO 0.77 0.01 -1.68 -1.71 -1.61 0.00 0.00 178.31 174.09 1aaf n ASN 17 N -3.10 1.90 0.07 2.17 5.15 -1.26 -4.27 115.26 115.91 1aaf n ASN 17 Ca 0.01 0.40 0.03 0.00 -0.60 0.00 0.00 54.58 54.42 1aaf n ASN 17 Cb 0.36 -0.89 -0.04 0.00 -0.53 0.00 0.00 39.78 38.68 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 1.32 2.80 3.72 0.00 0.00 -0.07 -5.05 105.19 107.91 1aaf n GLY 19 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 0.42 0.00 1.61 -0.14 -1.24 -4.43 119.74 115.96 1aaf s LYS 20 Ca 0.00 0.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.97 1aaf s LYS 20 Cb 0.00 -1.76 -0.02 0.00 -1.68 0.00 0.00 37.83 34.37 1aaf s LYS 20 CO 0.00 -2.68 -0.25 -1.83 -0.76 0.00 0.00 175.35 169.82 1aaf s GLU 21 N -5.21 2.02 0.00 1.68 -1.05 -1.26 -0.64 118.70 114.24 1aaf s GLU 21 Ca 0.66 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1aaf s GLU 21 Cb -0.15 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1aaf s GLU 21 CO 0.55 0.55 0.00 0.41 0.95 0.00 0.00 175.26 177.72 1aaf n GLY 22 N 2.18 1.82 3.61 -3.83 0.00 -1.26 -4.28 105.19 103.43 1aaf n GLY 22 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 0.36 1.61 -3.43 -1.26 -5.03 115.29 105.52 1aaf s HIS 23 Ca 0.00 0.01 0.07 0.00 -0.80 0.00 0.00 55.06 54.34 1aaf s HIS 23 Cb 0.00 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1aaf s HIS 23 CO 0.00 -0.06 0.45 0.96 -2.00 0.00 0.00 174.74 174.08 1aaf s ILE 24 N -2.11 3.54 -0.69 -5.38 -4.36 -1.26 -2.82 121.20 108.12 1aaf s ILE 24 Ca 0.13 -1.12 0.25 0.00 -0.26 0.00 0.00 60.65 59.65 1aaf s ILE 24 Cb 0.02 -3.22 0.20 0.00 1.25 0.00 0.00 42.46 40.72 1aaf s ILE 24 CO -0.04 -0.10 1.60 0.00 0.24 0.00 0.00 174.94 176.63 1aaf h ALA 25 N 0.92 0.84 -0.16 2.27 0.00 -1.93 -2.36 119.26 118.84 1aaf h ALA 25 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1aaf h ALA 25 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1aaf h ALA 25 CO 0.53 0.00 0.04 -0.22 0.00 0.00 0.00 179.25 179.60 1aaf h LYS 26 N 0.00 0.22 -0.37 0.00 1.63 -2.03 -1.99 116.57 114.04 1aaf h LYS 26 Ca 0.00 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.63 1aaf h LYS 26 Cb 0.75 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.25 1aaf h LYS 26 CO 0.00 0.21 -0.00 0.27 -3.45 0.00 0.00 179.45 176.48 1aaf n ASN 27 N -4.44 2.99 -4.28 4.20 6.94 -0.89 -4.95 115.26 114.82 1aaf n ASN 27 Ca -0.01 -3.53 -0.45 0.00 -0.02 0.00 0.00 54.58 50.57 1aaf n ASN 27 Cb 0.13 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 36.89 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aaf n ARG 29 N 3.97 4.28 -2.04 0.00 0.00 -1.26 -5.01 116.66 116.61 1aaf n ARG 29 Ca 0.11 -3.69 -0.40 0.00 -0.00 0.00 0.00 57.85 53.86 1aaf n ARG 29 Cb 0.45 -2.72 -0.01 0.00 -0.00 0.00 0.00 32.46 30.18 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 -0.99 3.35 1.05 2.89 0.00 -1.26 -4.91 121.76 121.88 1aaf s ALA 30 Ca 0.45 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1aaf s ALA 30 Cb 0.14 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.97 1aaf s ALA 30 CO -0.04 -0.81 1.07 -1.25 0.00 0.00 0.00 175.76 174.73 1aaf s PRO 31 N -2.12 0.02 0.19 0.00 0.04 -1.26 -5.04 135.00 126.82 1aaf s PRO 31 Ca 0.55 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.55 1aaf s PRO 31 Cb -0.39 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1aaf s PRO 31 CO 0.51 -3.12 0.11 0.54 0.04 0.00 0.00 177.00 175.08 1aaf n ARG 32 N -4.50 0.49 -4.07 4.56 5.12 -1.26 -5.19 116.66 111.82 1aaf n ARG 32 Ca 0.06 -1.71 -0.23 0.00 -1.93 0.00 0.00 57.85 54.04 1aaf n ARG 32 Cb 0.54 1.15 -0.06 0.00 -1.16 0.00 0.00 32.46 32.93 1aaf n ARG 32 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1aaf n LYS 33 N -0.39 0.72 -1.34 5.56 4.01 -1.26 -5.17 118.16 120.29 1aaf n LYS 33 Ca 0.00 -2.94 0.00 0.00 -0.51 0.00 0.00 58.31 54.86 1aaf n LYS 33 Cb 0.31 1.39 0.00 0.00 -0.51 0.00 0.00 35.03 36.22 1aaf n LYS 33 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1aaf n ARG 34 N -0.84 2.24 0.00 1.97 3.00 -1.26 -5.11 116.66 116.66 1aaf n ARG 34 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.76 1aaf n ARG 34 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aaf n GLY 35 N 4.20 0.25 3.65 -0.13 0.00 -1.24 -5.01 105.19 106.90 1aaf n GLY 35 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 11.32 0.00 0.03 0.00 5.08 -1.87 -1.84 115.95 128.67 1aaf h TRP 37 Ca -0.46 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.51 1aaf h TRP 37 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1aaf h TRP 37 CO 0.94 0.10 -0.01 -0.22 -1.28 0.00 0.00 178.44 177.97 1aaf h LYS 38 N 0.00 -0.04 0.00 0.12 1.63 -1.94 -3.42 116.57 112.93 1aaf h LYS 38 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1aaf h LYS 38 Cb 0.27 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1aaf h LYS 38 CO 0.01 -0.03 -1.22 0.00 -3.45 0.00 0.00 179.45 174.77 1aaf n GLY 40 N 1.24 0.45 4.02 0.00 0.00 -0.70 -5.06 105.19 105.15 1aaf n GLY 40 Ca -0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.04 2.55 -0.30 1.61 2.20 -1.26 -4.85 119.74 116.66 1aaf s LYS 41 Ca 0.00 -1.46 0.03 0.00 -0.36 0.00 0.00 55.97 54.18 1aaf s LYS 41 Cb 0.00 -2.69 0.08 0.00 -1.51 0.00 0.00 37.83 33.71 1aaf s LYS 41 CO 0.00 -0.57 -0.04 -1.83 -0.36 0.00 0.00 175.35 172.55 1aaf s GLU 42 N -4.51 1.89 0.00 4.03 4.04 -1.26 -1.27 118.70 121.62 1aaf s GLU 42 Ca 0.58 -1.59 0.00 0.00 0.04 0.00 0.00 54.97 54.00 1aaf s GLU 42 Cb -0.08 -3.04 0.00 0.00 0.02 0.00 0.00 34.13 31.04 1aaf s GLU 42 CO 0.36 -0.74 0.00 0.41 -1.84 0.00 0.00 175.26 173.45 1aaf n GLY 43 N 4.35 0.82 3.86 -3.83 0.00 -1.26 -4.98 105.19 104.15 1aaf n GLY 43 Ca -0.06 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 0.00 0.51 1.61 -3.43 -1.26 -5.05 115.29 107.67 1aaf s HIS 44 Ca 0.00 -0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.20 1aaf s HIS 44 Cb 0.00 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 1aaf s HIS 44 CO 0.00 -0.16 0.01 1.14 -2.00 0.00 0.00 174.74 173.72 1aaf s GLN 45 N -2.09 2.20 0.52 -0.38 1.03 -1.26 -3.78 119.66 115.90 1aaf s GLN 45 Ca 0.25 -2.41 0.23 0.00 0.04 0.00 0.00 55.36 53.46 1aaf s GLN 45 Cb 0.02 -1.47 1.39 0.00 0.03 0.00 0.00 33.01 32.98 1aaf s GLN 45 CO -0.03 -0.39 2.11 1.98 -2.54 0.00 0.00 175.29 176.42 1aaf h MET 46 N 1.34 0.00 0.00 9.60 1.85 -2.00 -1.86 114.93 123.86 1aaf h MET 46 Ca -0.43 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.66 1aaf h MET 46 Cb 1.32 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.35 1aaf h MET 46 CO 0.73 0.09 0.00 0.87 -0.40 0.00 0.00 176.91 178.20 1aaf h LYS 47 N 0.00 0.00 -0.03 0.39 6.56 -2.06 -1.21 116.57 120.22 1aaf h LYS 47 Ca -0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1aaf h LYS 47 Cb 0.20 0.00 -0.37 0.00 -0.57 0.00 0.00 32.23 31.49 1aaf h LYS 47 CO 0.01 0.00 -0.99 -3.47 -2.06 0.00 0.00 179.45 172.94 1aaf n ASP 48 N -2.54 0.88 -4.68 0.86 2.03 -0.74 -5.04 116.55 107.33 1aaf n ASP 48 Ca -0.01 -2.00 -0.37 0.00 0.52 0.00 0.00 54.79 52.93 1aaf n ASP 48 Cb 0.09 -0.26 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 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 4.13 0.04 -1.55 0.00 -1.04 -1.26 -4.94 114.28 109.65 1aaf n THR 50 Ca -0.14 -0.31 -0.18 0.00 -2.04 0.00 0.00 64.05 61.38 1aaf n THR 50 Cb 0.52 0.61 -0.08 0.00 -1.82 0.00 0.00 70.33 69.56 1aaf n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1aaf n GLU 51 N 0.10 -1.41 -2.40 -2.82 -0.58 -1.26 -4.87 120.64 107.40 1aaf n GLU 51 Ca 0.02 1.07 -0.04 0.00 -0.42 0.00 0.00 57.16 57.78 1aaf n GLU 51 Cb 0.81 -5.41 -0.01 0.00 -0.57 0.00 0.00 31.44 26.26 1aaf n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1aaf n ARG 52 N -2.22 0.95 -0.52 3.49 0.63 -1.26 -5.07 116.66 112.67 1aaf n ARG 52 Ca -0.18 -0.57 0.04 0.00 -0.92 0.00 0.00 57.85 56.21 1aaf n ARG 52 Cb 0.60 0.30 0.21 0.00 0.45 0.00 0.00 32.46 34.02 1aaf n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aaf n GLN 53 N -0.16 2.11 -1.64 -0.14 10.64 -1.26 -4.31 117.38 122.62 1aaf n GLN 53 Ca -0.01 -2.95 0.02 0.00 -1.83 0.00 0.00 57.00 52.23 1aaf n GLN 53 Cb 0.10 -1.75 0.05 0.00 -0.86 0.00 0.00 30.24 27.78 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aaf n ALA 54 N -0.96 2.69 0.84 2.61 0.00 -1.26 -5.25 120.51 119.18 1aaf n ALA 54 Ca 0.24 -2.62 0.07 0.00 0.00 0.00 0.00 53.44 51.13 1aaf n ALA 54 Cb 0.88 -0.69 0.40 0.00 0.00 0.00 0.00 19.45 20.03 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59