#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 2.60 -2.39 0.03 6.02 -1.26 -4.93 117.38 117.46 1aaf n GLN 2 Ca 0.00 -3.21 -0.05 0.00 -0.01 0.00 0.00 57.00 53.73 1aaf n GLN 2 Cb 0.00 -2.26 -0.04 0.00 1.02 0.00 0.00 30.24 28.96 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 -0.93 -3.74 0.00 -1.09 0.00 -1.26 -4.89 116.66 104.75 1aaf n ARG 3 Ca 0.62 2.91 0.00 0.00 -0.00 0.00 0.00 57.85 61.38 1aaf n ARG 3 Cb 0.81 -4.32 0.00 0.00 0.00 0.00 0.00 32.46 28.95 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 1.36 2.18 1.75 5.14 0.00 -1.26 -5.11 105.19 109.25 1aaf n GLY 4 Ca -0.34 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 1aaf n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1aaf n ASN 5 N 0.00 0.59 -0.05 1.61 2.85 -1.26 -5.03 115.26 113.97 1aaf n ASN 5 Ca 0.00 -1.50 0.00 0.00 -0.11 0.00 0.00 54.58 52.97 1aaf n ASN 5 Cb 0.00 -0.30 -0.14 0.00 1.24 0.00 0.00 39.78 40.58 1aaf n ASN 5 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1aaf n PHE 6 N -2.07 0.00 -4.12 1.20 -1.74 -1.26 -4.74 117.46 104.72 1aaf n PHE 6 Ca 0.07 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.70 1aaf n PHE 6 Cb 0.27 -0.65 -0.05 0.00 1.52 0.00 0.00 39.48 40.57 1aaf n PHE 6 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 1aaf s ARG 7 N -2.88 2.25 0.28 3.97 1.70 -1.26 -4.85 118.95 118.16 1aaf s ARG 7 Ca -0.08 -1.98 -0.20 0.00 -0.47 0.00 0.00 55.73 52.99 1aaf s ARG 7 Cb 0.09 -1.97 0.02 0.00 -0.57 0.00 0.00 34.95 32.52 1aaf s ARG 7 CO 0.76 -0.34 0.72 0.54 -1.08 0.00 0.00 175.30 175.90 1aaf s ASN 8 N -4.04 -0.24 -0.07 -2.89 4.22 -1.26 -4.76 114.94 105.90 1aaf s ASN 8 Ca 0.33 -0.65 -0.32 0.00 -2.14 0.00 0.00 52.86 50.08 1aaf s ASN 8 Cb 0.01 0.73 0.12 0.00 1.28 0.00 0.00 41.25 43.40 1aaf s ASN 8 CO 0.19 -1.36 1.24 -1.58 -2.04 0.00 0.00 177.10 173.55 1aaf s GLN 9 N -3.83 0.41 0.96 3.55 0.74 -1.26 -5.14 119.66 115.09 1aaf s GLN 9 Ca 0.12 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.19 1aaf s GLN 9 Cb -0.06 0.15 0.17 0.00 1.10 0.00 0.00 33.01 34.37 1aaf s GLN 9 CO 0.07 -0.18 1.14 -0.98 -0.55 0.00 0.00 175.29 174.79 1aaf s ARG 10 N -2.47 0.73 -0.18 1.67 1.70 -1.26 -4.99 118.95 114.15 1aaf s ARG 10 Ca 0.12 0.24 0.15 0.00 -0.47 0.00 0.00 55.73 55.77 1aaf s ARG 10 Cb 0.03 -1.80 0.37 0.00 -0.57 0.00 0.00 34.95 32.98 1aaf s ARG 10 CO -0.04 -2.47 1.21 1.63 -1.08 0.00 0.00 175.30 174.56 1aaf n LYS 11 N -3.94 1.53 -4.17 3.89 4.76 -1.26 -4.91 118.16 114.06 1aaf n LYS 11 Ca 0.07 -2.95 -0.26 0.00 -2.87 0.00 0.00 58.31 52.30 1aaf n LYS 11 Cb 0.59 -1.59 -0.17 0.00 -1.84 0.00 0.00 35.03 32.02 1aaf n LYS 11 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1aaf s ILE 12 N -3.06 1.12 -0.36 -0.18 2.07 -1.26 -5.11 121.20 114.42 1aaf s ILE 12 Ca 0.36 -0.39 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1aaf s ILE 12 Cb 0.33 -1.09 0.05 0.00 0.13 0.00 0.00 42.46 41.88 1aaf s ILE 12 CO -0.01 0.37 0.14 -0.51 -1.91 0.00 0.00 174.94 173.02 1aaf s ILE 13 N 1.30 3.90 0.04 2.00 1.10 -1.26 -5.06 121.20 123.23 1aaf s ILE 13 Ca -0.02 -1.20 -0.06 0.00 -0.51 0.00 0.00 60.65 58.85 1aaf s ILE 13 Cb -0.14 -3.26 -0.01 0.00 0.15 0.00 0.00 42.46 39.20 1aaf s ILE 13 CO -0.04 -0.27 0.11 -1.59 -2.11 0.00 0.00 174.94 171.04 1aaf s LYS 14 N 1.40 0.62 -0.18 3.50 -2.85 -1.26 -2.16 119.74 118.82 1aaf s LYS 14 Ca -0.00 -0.79 -0.07 0.00 -1.00 0.00 0.00 55.97 54.11 1aaf s LYS 14 Cb -0.20 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.77 1aaf s LYS 14 CO 0.03 -0.16 0.06 0.00 0.10 0.00 0.00 175.35 175.38 1aaf h PHE 16 N 6.69 0.00 0.00 0.00 0.04 -1.86 0.80 116.94 122.61 1aaf h PHE 16 Ca -0.37 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.09 1aaf h PHE 16 Cb 1.17 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 1aaf h PHE 16 CO 0.56 0.16 -1.76 -1.71 -0.60 0.00 0.00 178.31 174.96 1aaf n ASN 17 N -3.22 1.90 0.08 2.17 5.15 -1.26 -4.26 115.26 115.82 1aaf n ASN 17 Ca 0.01 0.39 0.05 0.00 -0.60 0.00 0.00 54.58 54.44 1aaf n ASN 17 Cb 0.47 -0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 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 1.28 3.02 3.68 0.00 0.00 0.27 -5.04 105.19 108.41 1aaf n GLY 19 Ca -0.04 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 0.68 -0.06 1.61 1.02 -1.24 -4.23 119.74 117.51 1aaf s LYS 20 Ca 0.00 0.72 -0.01 0.00 0.02 0.00 0.00 55.97 56.69 1aaf s LYS 20 Cb 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1aaf s LYS 20 CO 0.00 -2.61 0.02 -1.83 -0.92 0.00 0.00 175.35 170.01 1aaf s GLU 21 N -4.89 2.99 0.00 1.68 -1.05 -1.26 -0.24 118.70 115.92 1aaf s GLU 21 Ca 0.65 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1aaf s GLU 21 Cb -0.19 -2.80 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1aaf s GLU 21 CO 0.58 0.69 0.00 0.41 0.95 0.00 0.00 175.26 177.89 1aaf n GLY 22 N 1.89 1.85 3.58 -3.83 0.00 -0.92 -4.94 105.19 102.82 1aaf n GLY 22 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 0.44 1.61 -3.43 -1.26 -5.02 115.29 105.47 1aaf s HIS 23 Ca 0.00 0.10 0.02 0.00 -0.80 0.00 0.00 55.06 54.37 1aaf s HIS 23 Cb 0.00 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1aaf s HIS 23 CO 0.00 -0.26 0.64 0.96 -2.00 0.00 0.00 174.74 174.08 1aaf s ILE 24 N -2.53 3.85 -0.10 -5.38 -4.36 -1.26 -3.06 121.20 108.36 1aaf s ILE 24 Ca 0.09 -0.63 0.14 0.00 -0.26 0.00 0.00 60.65 59.99 1aaf s ILE 24 Cb -0.01 -3.40 0.03 0.00 1.25 0.00 0.00 42.46 40.33 1aaf s ILE 24 CO -0.05 -0.25 1.44 0.00 0.24 0.00 0.00 174.94 176.31 1aaf h ALA 25 N 0.47 0.64 -0.02 2.27 0.00 -1.95 -0.37 119.26 120.30 1aaf h ALA 25 Ca -0.45 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 53.94 1aaf h ALA 25 Cb 1.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aaf h ALA 25 CO 0.56 0.71 0.02 0.87 0.00 0.00 0.00 179.25 181.40 1aaf h LYS 26 N 0.00 0.00 -0.64 0.00 1.57 -2.02 -1.56 116.57 113.92 1aaf h LYS 26 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1aaf h LYS 26 Cb 1.41 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.52 1aaf h LYS 26 CO 0.07 0.00 0.22 0.09 -0.57 0.00 0.00 179.45 179.27 1aaf n ASN 27 N -4.36 3.17 -4.57 0.86 4.13 -0.16 -5.01 115.26 109.33 1aaf n ASN 27 Ca -0.02 -3.73 -0.41 0.00 1.68 0.00 0.00 54.58 52.10 1aaf n ASN 27 Cb 0.11 -0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 37.55 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aaf n ARG 29 N 5.82 2.84 -1.68 0.00 5.12 -1.26 -4.97 116.66 122.53 1aaf n ARG 29 Ca -0.03 -3.44 -0.37 0.00 -1.93 0.00 0.00 57.85 52.07 1aaf n ARG 29 Cb 0.49 -2.29 0.06 0.00 -1.16 0.00 0.00 32.46 29.56 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aaf n ALA 30 N -0.87 0.74 -2.55 7.54 0.00 -1.26 -4.90 120.51 119.22 1aaf n ALA 30 Ca 0.60 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 1aaf n ALA 30 Cb 0.69 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 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 -3.04 3.86 1.14 0.00 0.04 -1.26 -4.97 135.00 130.77 1aaf s PRO 31 Ca 0.79 -1.85 0.00 0.00 0.04 0.00 0.00 61.00 59.98 1aaf s PRO 31 Cb -0.40 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 28.64 1aaf s PRO 31 CO 0.44 -2.35 0.00 0.54 0.04 0.00 0.00 177.00 175.67 1aaf n ARG 32 N 8.45 -1.40 -1.52 4.56 1.74 -1.26 -5.06 116.66 122.17 1aaf n ARG 32 Ca 0.47 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.47 1aaf n ARG 32 Cb 0.47 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1aaf n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1aaf n LYS 33 N -3.01 0.00 -1.70 5.56 3.00 -1.26 -4.95 118.16 115.79 1aaf n LYS 33 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1aaf n LYS 33 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.26 1aaf n LYS 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1aaf s ARG 34 N -1.56 1.64 0.00 1.64 3.52 -1.26 -4.69 118.95 118.24 1aaf s ARG 34 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1aaf s ARG 34 Cb 0.00 -4.94 0.00 0.00 -1.56 0.00 0.00 34.95 28.45 1aaf s ARG 34 CO 0.00 -4.69 0.00 0.41 -0.81 0.00 0.00 175.30 170.21 1aaf n GLY 35 N 6.46 3.91 2.91 8.12 0.00 -1.26 -4.81 105.19 120.51 1aaf n GLY 35 Ca 0.44 -0.47 -0.24 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 n TRP 37 N 4.41 2.63 0.04 0.00 8.01 -1.26 -0.80 117.44 130.47 1aaf n TRP 37 Ca -0.18 -1.78 0.00 0.00 -1.31 0.00 0.00 57.50 54.23 1aaf n TRP 37 Cb 0.51 -0.90 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1aaf n LYS 38 N -0.86 0.00 0.11 -0.99 3.00 -1.26 -4.75 118.16 113.41 1aaf n LYS 38 Ca 0.51 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.94 1aaf n LYS 38 Cb 1.40 -0.33 0.13 0.00 0.00 0.00 0.00 35.03 36.23 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 1.24 0.13 3.46 0.00 0.00 0.02 -4.85 105.19 105.19 1aaf n GLY 40 Ca 0.02 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.42 1.78 0.18 1.61 1.02 -1.20 -4.84 119.74 113.87 1aaf s LYS 41 Ca 0.02 -2.05 0.07 0.00 0.02 0.00 0.00 55.97 54.03 1aaf s LYS 41 Cb -0.01 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1aaf s LYS 41 CO 0.02 -0.39 0.01 -2.00 -0.92 0.00 0.00 175.35 172.07 1aaf s GLU 42 N -3.79 2.44 0.00 1.68 2.12 -1.26 -0.31 118.70 119.57 1aaf s GLU 42 Ca 0.29 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1aaf s GLU 42 Cb 0.05 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1aaf s GLU 42 CO 0.15 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 1aaf n GLY 43 N -0.19 1.48 0.00 -1.50 0.00 -1.26 -5.00 105.19 98.72 1aaf n GLY 43 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.28 0.00 -4.04 1.61 1.44 -1.26 -5.14 115.22 106.56 1aaf n HIS 44 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 1aaf n HIS 44 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1aaf n HIS 44 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1aaf s GLN 45 N -2.00 3.11 0.17 -1.40 -1.52 -1.26 -3.88 119.66 112.88 1aaf s GLN 45 Ca 0.00 -0.80 -0.05 0.00 -1.95 0.00 0.00 55.36 52.56 1aaf s GLN 45 Cb 0.00 -2.75 0.05 0.00 -0.22 0.00 0.00 33.01 30.09 1aaf s GLN 45 CO 0.00 0.48 1.46 1.98 -0.25 0.00 0.00 175.29 178.96 1aaf h MET 46 N 2.13 0.62 0.00 2.91 4.05 -1.93 0.50 114.93 123.20 1aaf h MET 46 Ca -0.48 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 58.53 1aaf h MET 46 Cb 1.21 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1aaf h MET 46 CO 0.64 1.03 0.00 -0.22 0.23 0.00 0.00 176.91 178.59 1aaf h LYS 47 N 0.46 0.00 0.02 0.39 3.11 -1.97 0.24 116.57 118.82 1aaf h LYS 47 Ca -0.00 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.53 1aaf h LYS 47 Cb 1.16 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.34 1aaf h LYS 47 CO 0.11 0.00 -1.78 -0.25 -2.81 0.00 0.00 179.45 174.73 1aaf n ASP 48 N -2.81 1.00 -4.73 4.20 8.00 0.26 -4.93 116.55 117.53 1aaf n ASP 48 Ca -0.02 0.37 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 1aaf n ASP 48 Cb 0.09 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aaf n THR 50 N 3.05 0.11 -3.47 0.00 -1.04 -1.26 -4.96 114.28 106.71 1aaf n THR 50 Ca 0.07 -0.67 -0.28 0.00 -2.04 0.00 0.00 64.05 61.13 1aaf n THR 50 Cb 0.43 0.78 -0.12 0.00 -1.82 0.00 0.00 70.33 69.60 1aaf n THR 50 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1aaf s GLU 51 N -0.30 0.49 2.38 -2.82 2.56 -1.26 -5.12 118.70 114.63 1aaf s GLU 51 Ca 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 54.97 53.91 1aaf s GLU 51 Cb 0.20 -1.24 0.00 0.00 2.00 0.00 0.00 34.13 35.09 1aaf s GLU 51 CO -0.07 -1.18 0.00 -2.13 -0.56 0.00 0.00 175.26 171.32 1aaf n ARG 52 N 4.24 0.00 -1.48 4.30 0.63 -1.26 -3.11 116.66 119.98 1aaf n ARG 52 Ca 0.09 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.69 1aaf n ARG 52 Cb 0.38 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.34 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 -1.09 2.57 -1.37 -0.14 10.64 -1.26 -4.61 117.38 122.12 1aaf n GLN 53 Ca 0.00 -3.06 0.17 0.00 -1.83 0.00 0.00 57.00 52.28 1aaf n GLN 53 Cb 0.00 -2.19 -0.08 0.00 -0.86 0.00 0.00 30.24 27.11 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 -0.46 -3.59 0.26 2.61 0.00 -1.18 -4.87 120.51 113.28 1aaf n ALA 54 Ca 0.55 0.81 0.03 0.00 0.00 0.00 0.00 53.44 54.83 1aaf n ALA 54 Cb 0.50 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79