#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 0.00 0.03 6.02 -1.26 -4.71 117.38 117.46 1aaf n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1aaf n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1aaf n GLN 2 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1aaf n ARG 3 N -1.09 0.00 0.00 -1.09 0.63 -1.26 -4.92 116.66 108.93 1aaf n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1aaf n ARG 3 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1aaf n ARG 3 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aaf n GLY 4 N 0.00 -0.55 1.91 5.14 0.00 -1.26 -5.03 105.19 105.40 1aaf n GLY 4 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.62 -1.06 0.00 1.61 0.23 -1.26 -5.11 115.26 107.04 1aaf n ASN 5 Ca 0.00 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 1aaf n ASN 5 Cb 0.00 1.76 0.00 0.00 -2.08 0.00 0.00 39.78 39.46 1aaf n ASN 5 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1aaf n PHE 6 N -0.30 0.00 -2.67 -2.53 3.01 -1.26 -5.08 117.46 108.63 1aaf n PHE 6 Ca -0.03 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.40 1aaf n PHE 6 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1aaf n PHE 6 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1aaf n ARG 7 N -1.36 -2.84 -4.60 -1.08 5.12 -1.26 -5.00 116.66 105.64 1aaf n ARG 7 Ca 0.00 2.39 -0.33 0.00 -1.93 0.00 0.00 57.85 57.97 1aaf n ARG 7 Cb 0.00 -5.18 -0.12 0.00 -1.16 0.00 0.00 32.46 25.99 1aaf n ARG 7 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1aaf s ASN 8 N -1.89 4.51 0.61 0.55 -0.87 -1.26 -5.12 114.94 111.47 1aaf s ASN 8 Ca 0.09 -0.15 -0.09 0.00 -1.57 0.00 0.00 52.86 51.14 1aaf s ASN 8 Cb -0.03 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.25 39.70 1aaf s ASN 8 CO 0.72 0.24 0.99 0.00 -2.57 0.00 0.00 177.10 176.48 1aaf s GLN 9 N -0.09 3.33 -0.28 -0.60 0.00 -1.26 -5.07 119.66 115.68 1aaf s GLN 9 Ca 0.00 0.49 -0.02 0.00 -0.00 0.00 0.00 55.36 55.84 1aaf s GLN 9 Cb -0.13 -2.14 0.12 0.00 0.00 0.00 0.00 33.01 30.86 1aaf s GLN 9 CO 0.03 -0.63 0.23 1.03 0.00 0.00 0.00 175.29 175.95 1aaf s ARG 10 N -5.12 0.27 -0.01 9.60 0.52 -1.26 -5.12 118.95 117.83 1aaf s ARG 10 Ca 0.54 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 1aaf s ARG 10 Cb -0.11 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.50 1aaf s ARG 10 CO 0.51 -1.00 -0.04 -1.59 0.02 0.00 0.00 175.30 173.19 1aaf s LYS 11 N 2.27 0.42 -0.44 3.54 -2.85 -1.26 -5.08 119.74 116.34 1aaf s LYS 11 Ca 0.09 -0.14 0.09 0.00 -1.00 0.00 0.00 55.97 55.01 1aaf s LYS 11 Cb -0.15 -0.43 0.40 0.00 -2.06 0.00 0.00 37.83 35.59 1aaf s LYS 11 CO -0.33 0.06 0.97 0.44 0.10 0.00 0.00 175.35 176.60 1aaf n ILE 12 N 3.17 1.88 -3.34 3.79 -0.00 -1.26 -5.00 119.36 118.60 1aaf n ILE 12 Ca -0.15 -4.66 -0.32 0.00 -0.00 0.00 0.00 62.75 57.61 1aaf n ILE 12 Cb 0.57 -0.74 -0.06 0.00 -0.00 0.00 0.00 39.64 39.41 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 -4.26 4.86 -0.14 7.28 -4.36 -1.26 -5.04 121.20 118.27 1aaf s ILE 13 Ca 0.43 0.59 0.01 0.00 -0.26 0.00 0.00 60.65 61.42 1aaf s ILE 13 Cb 0.37 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 40.46 1aaf s ILE 13 CO -0.11 -0.11 -0.16 -1.59 0.24 0.00 0.00 174.94 173.21 1aaf s LYS 14 N -2.88 3.20 0.28 0.37 -2.85 -1.26 -4.00 119.74 112.61 1aaf s LYS 14 Ca 0.49 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 1aaf s LYS 14 Cb -0.11 -2.58 -0.11 0.00 -2.06 0.00 0.00 37.83 32.97 1aaf s LYS 14 CO 0.20 0.06 1.53 0.00 0.10 0.00 0.00 175.35 177.24 1aaf h PHE 16 N 4.79 0.00 0.00 0.00 3.04 -1.91 -1.40 116.94 121.46 1aaf h PHE 16 Ca -0.47 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.41 1aaf h PHE 16 Cb 1.22 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 1aaf h PHE 16 CO 0.59 0.13 -1.18 -1.71 -2.02 0.00 0.00 178.31 174.12 1aaf n ASN 17 N -3.91 1.93 0.01 0.41 5.15 -1.26 -4.66 115.26 112.93 1aaf n ASN 17 Ca -0.02 0.36 -0.04 0.00 -0.60 0.00 0.00 54.58 54.28 1aaf n ASN 17 Cb 0.22 -0.76 -0.11 0.00 -0.53 0.00 0.00 39.78 38.60 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 1.47 2.95 3.70 0.00 0.00 -0.53 -5.02 105.19 107.76 1aaf n GLY 19 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.01 1.40 0.13 1.61 1.02 -1.26 -4.31 119.74 118.31 1aaf s LYS 20 Ca 0.00 1.54 -0.14 0.00 0.02 0.00 0.00 55.97 57.39 1aaf s LYS 20 Cb 0.00 -1.77 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 1aaf s LYS 20 CO 0.00 -2.35 0.53 -1.83 -0.92 0.00 0.00 175.35 170.78 1aaf s GLU 21 N -4.55 3.97 0.00 1.68 -1.05 -1.26 -1.85 118.70 115.64 1aaf s GLU 21 Ca 0.67 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.97 1aaf s GLU 21 Cb -0.23 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 1aaf s GLU 21 CO 0.55 0.51 0.00 0.41 0.95 0.00 0.00 175.26 177.69 1aaf n GLY 22 N 0.94 1.65 3.53 -3.83 0.00 -1.26 -5.00 105.19 101.22 1aaf n GLY 22 Ca -0.06 0.00 -0.10 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 -0.40 0.49 1.61 -3.43 -1.26 -5.04 115.29 105.26 1aaf s HIS 23 Ca 0.00 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 1aaf s HIS 23 Cb 0.00 0.49 0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1aaf s HIS 23 CO 0.00 -0.50 0.72 0.96 -2.00 0.00 0.00 174.74 173.92 1aaf s ILE 24 N -2.22 3.49 -0.19 -5.38 -4.36 -1.26 -3.49 121.20 107.80 1aaf s ILE 24 Ca 0.01 -0.54 0.19 0.00 -0.26 0.00 0.00 60.65 60.04 1aaf s ILE 24 Cb -0.01 -3.30 0.18 0.00 1.25 0.00 0.00 42.46 40.58 1aaf s ILE 24 CO -0.03 -0.21 1.56 0.00 0.24 0.00 0.00 174.94 176.50 1aaf h ALA 25 N 0.26 0.83 -0.03 2.27 0.00 -1.93 -0.51 119.26 120.15 1aaf h ALA 25 Ca -0.45 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.20 1aaf h ALA 25 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aaf h ALA 25 CO 0.55 0.38 0.02 0.87 0.00 0.00 0.00 179.25 181.08 1aaf h LYS 26 N 0.00 0.00 -0.56 0.00 1.79 -2.03 -1.73 116.57 114.05 1aaf h LYS 26 Ca -0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1aaf h LYS 26 Cb 1.16 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.58 1aaf h LYS 26 CO 0.04 0.00 -0.15 -1.71 -1.08 0.00 0.00 179.45 176.55 1aaf n ASN 27 N -4.42 3.89 -4.40 0.86 2.85 -0.21 -4.99 115.26 108.84 1aaf n ASN 27 Ca -0.02 -3.79 -0.44 0.00 -0.11 0.00 0.00 54.58 50.22 1aaf n ASN 27 Cb 0.12 -0.61 -0.04 0.00 1.24 0.00 0.00 39.78 40.49 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 6.52 4.39 -1.74 0.00 0.00 -1.26 -5.06 116.66 119.51 1aaf n ARG 29 Ca -0.01 -4.59 -0.39 0.00 -0.00 0.00 0.00 57.85 52.86 1aaf n ARG 29 Cb 0.45 -2.47 0.03 0.00 -0.00 0.00 0.00 32.46 30.47 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1aaf n ALA 30 N 1.05 1.67 -0.69 2.89 0.00 -1.26 -4.86 120.51 119.32 1aaf n ALA 30 Ca 0.29 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.62 1aaf n ALA 30 Cb 0.33 -2.36 0.22 0.00 0.00 0.00 0.00 19.45 17.65 1aaf n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aaf s PRO 31 N -2.70 -0.39 0.00 0.00 0.04 -1.26 -5.05 135.00 125.63 1aaf s PRO 31 Ca 0.68 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1aaf s PRO 31 Cb -0.43 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1aaf s PRO 31 CO 0.52 -3.38 0.00 0.54 0.04 0.00 0.00 177.00 174.72 1aaf n ARG 32 N -4.68 2.69 -0.93 4.56 5.12 -1.26 -5.02 116.66 117.13 1aaf n ARG 32 Ca 0.05 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.88 1aaf n ARG 32 Cb 0.54 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 32.08 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 0.00 3.06 -3.60 5.56 4.76 -1.26 -4.60 118.16 122.07 1aaf n LYS 33 Ca 0.00 -2.63 -0.20 0.00 -2.87 0.00 0.00 58.31 52.62 1aaf n LYS 33 Cb 0.00 -2.07 -0.15 0.00 -1.84 0.00 0.00 35.03 30.96 1aaf n LYS 33 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1aaf s ARG 34 N -2.68 0.08 0.00 1.97 0.52 -1.26 -5.12 118.95 112.45 1aaf s ARG 34 Ca 0.48 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 1aaf s ARG 34 Cb 0.39 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.90 1aaf s ARG 34 CO 0.11 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.34 1aaf n GLY 35 N 5.31 0.41 3.71 -3.53 0.00 -1.26 -5.00 105.19 104.84 1aaf n GLY 35 Ca -0.05 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 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 6.97 0.03 0.00 0.00 4.06 -1.89 -0.65 115.95 124.48 1aaf h TRP 37 Ca -0.41 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.53 1aaf h TRP 37 Cb 1.21 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1aaf h TRP 37 CO 0.68 0.19 -0.01 -0.22 -3.56 0.00 0.00 178.44 175.52 1aaf h LYS 38 N 0.03 0.00 0.00 0.49 1.63 -1.95 -3.42 116.57 113.35 1aaf h LYS 38 Ca 0.01 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.62 1aaf h LYS 38 Cb 0.30 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1aaf h LYS 38 CO 0.02 0.00 -1.70 0.00 -3.45 0.00 0.00 179.45 174.32 1aaf n GLY 40 N 1.45 0.42 4.01 0.00 0.00 -0.25 -5.02 105.19 105.81 1aaf n GLY 40 Ca -0.14 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1aaf n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 41 N -2.71 2.40 -0.35 1.61 3.01 -1.26 -4.72 119.74 117.72 1aaf s LYS 41 Ca 0.00 -1.35 0.02 0.00 -1.01 0.00 0.00 55.97 53.63 1aaf s LYS 41 Cb 0.00 -2.62 0.10 0.00 -1.01 0.00 0.00 37.83 34.30 1aaf s LYS 41 CO 0.00 -0.75 0.08 -1.21 0.51 0.00 0.00 175.35 173.98 1aaf s GLU 42 N -4.65 1.66 0.00 1.68 2.02 -1.26 -0.64 118.70 117.52 1aaf s GLU 42 Ca 0.60 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1aaf s GLU 42 Cb -0.07 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.87 1aaf s GLU 42 CO 0.38 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 175.12 1aaf n GLY 43 N 4.35 0.07 2.71 -1.39 0.00 -1.26 -5.05 105.19 104.62 1aaf n GLY 43 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -0.11 -4.45 1.61 1.44 -1.26 -5.08 115.22 107.37 1aaf n HIS 44 Ca 0.00 -0.39 -0.22 0.00 -2.01 0.00 0.00 57.72 55.10 1aaf n HIS 44 Cb 0.00 0.17 -0.10 0.00 0.12 0.00 0.00 29.99 30.18 1aaf n HIS 44 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1aaf s GLN 45 N -2.00 1.67 0.36 -1.40 0.74 -1.26 -4.23 119.66 113.53 1aaf s GLN 45 Ca 0.21 -1.94 0.04 0.00 0.05 0.00 0.00 55.36 53.73 1aaf s GLN 45 Cb -0.00 -0.79 0.67 0.00 1.10 0.00 0.00 33.01 33.99 1aaf s GLN 45 CO -0.01 -0.23 1.96 1.98 -0.55 0.00 0.00 175.29 178.44 1aaf h MET 46 N 2.09 0.64 0.00 1.67 4.05 -1.98 0.85 114.93 122.25 1aaf h MET 46 Ca -0.40 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1aaf h MET 46 Cb 1.25 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1aaf h MET 46 CO 0.67 0.51 0.00 0.87 0.23 0.00 0.00 176.91 179.20 1aaf h LYS 47 N 0.64 0.00 -0.17 0.39 1.79 -2.07 -1.63 116.57 115.52 1aaf h LYS 47 Ca 0.16 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.43 1aaf h LYS 47 Cb 0.10 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.40 1aaf h LYS 47 CO -0.02 0.00 -0.92 -3.47 -1.08 0.00 0.00 179.45 173.96 1aaf n ASP 48 N -2.57 0.79 -4.63 0.86 2.03 0.04 -5.05 116.55 108.03 1aaf n ASP 48 Ca -0.01 -2.03 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 1aaf n ASP 48 Cb 0.08 -0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 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 6.47 2.93 0.31 0.00 5.66 -1.26 -3.94 114.28 124.45 1aaf n THR 50 Ca 0.23 -1.67 0.18 0.00 -3.05 0.00 0.00 64.05 59.74 1aaf n THR 50 Cb 0.43 -0.50 1.01 0.00 -1.55 0.00 0.00 70.33 69.72 1aaf n THR 50 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1aaf h GLU 51 N 1.22 0.00 0.00 1.09 4.22 -1.99 -3.42 114.58 115.70 1aaf h GLU 51 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.95 1aaf h GLU 51 Cb 2.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.84 1aaf h GLU 51 CO 0.93 0.01 0.00 -2.13 -2.18 0.00 0.00 179.01 175.64 1aaf n ARG 52 N -3.53 1.09 0.00 1.92 0.00 -1.25 -5.13 116.66 109.76 1aaf n ARG 52 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1aaf n ARG 52 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.56 1aaf n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1aaf n GLN 53 N 0.00 0.00 -1.36 -0.14 7.27 -1.26 -5.02 117.38 116.87 1aaf n GLN 53 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.23 1aaf n GLN 53 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aaf n ALA 54 N 0.81 -3.53 -0.73 1.69 0.00 -1.26 -5.09 120.51 112.40 1aaf n ALA 54 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1aaf n ALA 54 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59