#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 -2.71 -3.80 0.03 -0.06 -1.26 -3.85 117.38 105.72 1aaf n GLN 2 Ca 0.00 1.83 -0.36 0.00 -2.00 0.00 0.00 57.00 56.47 1aaf n GLN 2 Cb 0.00 -3.30 -0.12 0.00 -4.06 0.00 0.00 30.24 22.76 1aaf n GLN 2 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1aaf s ARG 3 N -2.29 1.97 0.00 3.69 3.52 -1.26 -4.64 118.95 119.94 1aaf s ARG 3 Ca 0.00 -1.80 0.00 0.00 -0.13 0.00 0.00 55.73 53.80 1aaf s ARG 3 Cb 0.00 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1aaf s ARG 3 CO 0.00 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.86 1aaf n GLY 4 N 4.56 0.77 3.15 8.12 0.00 -1.26 -5.03 105.19 115.51 1aaf n GLY 4 Ca -0.02 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.63 -0.49 -0.21 1.61 3.04 -1.26 -5.14 114.94 109.86 1aaf s ASN 5 Ca 0.00 0.28 -0.29 0.00 0.04 0.00 0.00 52.86 52.89 1aaf s ASN 5 Cb 0.00 1.40 -0.00 0.00 -1.54 0.00 0.00 41.25 41.11 1aaf s ASN 5 CO 0.00 -0.09 1.20 0.72 -3.04 0.00 0.00 177.10 175.89 1aaf s PHE 6 N 2.95 2.96 0.30 0.43 -0.12 -1.26 -4.56 117.98 118.68 1aaf s PHE 6 Ca 0.02 1.11 -0.09 0.00 -0.05 0.00 0.00 56.93 57.92 1aaf s PHE 6 Cb -0.10 -3.52 0.00 0.00 -0.63 0.00 0.00 43.02 38.77 1aaf s PHE 6 CO -0.12 -1.33 0.50 -0.98 -0.05 0.00 0.00 175.22 173.23 1aaf s ARG 7 N 3.54 1.74 0.03 1.99 1.70 -1.25 -5.04 118.95 121.67 1aaf s ARG 7 Ca 0.52 -1.47 0.03 0.00 -0.47 0.00 0.00 55.73 54.34 1aaf s ARG 7 Cb -0.19 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1aaf s ARG 7 CO 0.14 -0.73 -0.10 0.54 -1.08 0.00 0.00 175.30 174.06 1aaf s ASN 8 N -3.11 1.20 -0.27 -2.89 4.22 -1.26 -4.62 114.94 108.20 1aaf s ASN 8 Ca 0.25 -0.41 -0.26 0.00 -2.14 0.00 0.00 52.86 50.31 1aaf s ASN 8 Cb -0.01 -0.06 0.14 0.00 1.28 0.00 0.00 41.25 42.61 1aaf s ASN 8 CO 0.13 -0.03 1.12 -1.10 -2.04 0.00 0.00 177.10 175.19 1aaf s GLN 9 N -1.05 0.41 0.50 3.55 -0.21 -1.26 -5.18 119.66 116.41 1aaf s GLN 9 Ca -0.02 0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.88 1aaf s GLN 9 Cb -0.07 0.20 0.05 0.00 1.00 0.00 0.00 33.01 34.18 1aaf s GLN 9 CO 0.01 -0.06 0.68 -0.98 -2.12 0.00 0.00 175.29 172.82 1aaf s ARG 10 N 0.02 2.56 -0.20 2.91 3.03 -1.26 -5.11 118.95 120.90 1aaf s ARG 10 Ca 0.04 -1.44 -0.04 0.00 2.03 0.00 0.00 55.73 56.32 1aaf s ARG 10 Cb -0.04 -2.70 0.09 0.00 -1.03 0.00 0.00 34.95 31.26 1aaf s ARG 10 CO -0.08 -0.57 0.20 -1.59 -1.13 0.00 0.00 175.30 172.13 1aaf s LYS 11 N -4.52 0.17 -0.29 3.89 -2.85 -1.26 -5.10 119.74 109.78 1aaf s LYS 11 Ca 0.58 0.15 0.04 0.00 -1.00 0.00 0.00 55.97 55.74 1aaf s LYS 11 Cb -0.08 -1.32 0.18 0.00 -2.06 0.00 0.00 37.83 34.56 1aaf s LYS 11 CO 0.36 -0.66 0.53 -1.50 0.10 0.00 0.00 175.35 174.17 1aaf s ILE 12 N 2.29 -0.87 -0.69 3.79 2.07 -1.26 -5.09 121.20 121.45 1aaf s ILE 12 Ca 0.06 -0.09 -0.26 0.00 -1.41 0.00 0.00 60.65 58.95 1aaf s ILE 12 Cb -0.16 -0.99 -0.12 0.00 0.13 0.00 0.00 42.46 41.33 1aaf s ILE 12 CO -0.12 -0.09 2.42 2.30 -1.91 0.00 0.00 174.94 177.54 1aaf n ILE 13 N 5.40 -0.03 -3.33 2.00 -5.35 -1.26 -4.81 119.36 111.98 1aaf n ILE 13 Ca 0.03 -0.61 0.03 0.00 -0.27 0.00 0.00 62.75 61.92 1aaf n ILE 13 Cb 0.52 -2.27 -0.03 0.00 -1.74 0.00 0.00 39.64 36.13 1aaf n ILE 13 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1aaf s LYS 14 N 8.70 0.39 -0.25 6.28 -2.85 -1.17 -3.86 119.74 126.98 1aaf s LYS 14 Ca 0.95 0.85 -0.12 0.00 -1.00 0.00 0.00 55.97 56.65 1aaf s LYS 14 Cb -0.16 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1aaf s LYS 14 CO 0.15 -0.27 0.24 0.00 0.10 0.00 0.00 175.35 175.57 1aaf h PHE 16 N 7.88 0.00 0.00 0.00 0.04 -1.88 -0.56 116.94 122.42 1aaf h PHE 16 Ca -0.36 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.14 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 0.72 0.00 -1.53 -1.71 -0.60 0.00 0.00 178.31 175.18 1aaf n ASN 17 N -2.99 1.88 -0.01 2.17 5.15 -1.26 -4.42 115.26 115.79 1aaf n ASN 17 Ca 0.01 0.41 -0.16 0.00 -0.60 0.00 0.00 54.58 54.24 1aaf n ASN 17 Cb 0.32 -0.92 -0.14 0.00 -0.53 0.00 0.00 39.78 38.51 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 1.82 1.02 4.00 0.00 0.00 -0.22 -5.08 105.19 106.75 1aaf n GLY 19 Ca -0.26 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.75 2.38 -0.08 1.61 1.02 -1.24 -4.90 119.74 116.78 1aaf s LYS 20 Ca 0.00 -1.65 0.01 0.00 0.02 0.00 0.00 55.97 54.36 1aaf s LYS 20 Cb 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1aaf s LYS 20 CO 0.00 -0.72 -0.10 -1.83 -0.92 0.00 0.00 175.35 171.79 1aaf s GLU 21 N -4.54 2.81 0.00 1.68 -1.05 -1.26 -1.65 118.70 114.69 1aaf s GLU 21 Ca 0.56 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 1aaf s GLU 21 Cb -0.06 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1aaf s GLU 21 CO 0.35 0.57 0.00 0.41 0.95 0.00 0.00 175.26 177.54 1aaf n GLY 22 N 2.49 1.89 3.79 -3.83 0.00 -1.25 -5.00 105.19 103.29 1aaf n GLY 22 Ca -0.18 0.00 0.01 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 -0.01 0.37 1.61 -3.43 -1.26 -4.99 115.29 105.58 1aaf s HIS 23 Ca 0.00 -0.16 0.08 0.00 -0.80 0.00 0.00 55.06 54.18 1aaf s HIS 23 Cb 0.00 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1aaf s HIS 23 CO 0.00 -0.43 0.19 0.96 -2.00 0.00 0.00 174.74 173.46 1aaf s ILE 24 N -2.34 2.81 -0.13 -5.38 -4.36 -1.26 -2.98 121.20 107.57 1aaf s ILE 24 Ca 0.20 -1.63 0.15 0.00 -0.26 0.00 0.00 60.65 59.11 1aaf s ILE 24 Cb 0.01 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 1aaf s ILE 24 CO -0.01 -0.11 1.22 0.00 0.24 0.00 0.00 174.94 176.28 1aaf h ALA 25 N 1.43 0.64 0.00 2.27 0.00 -1.93 -1.81 119.26 119.85 1aaf h ALA 25 Ca -0.43 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 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 0.64 0.77 -0.01 -0.22 0.00 0.00 0.00 179.25 180.43 1aaf h LYS 26 N 0.00 0.00 -0.29 0.00 3.64 -2.00 -1.94 116.57 115.98 1aaf h LYS 26 Ca -0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1aaf h LYS 26 Cb 1.48 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.21 1aaf h LYS 26 CO 0.06 0.01 -0.15 0.09 -2.27 0.00 0.00 179.45 177.19 1aaf n ASN 27 N -3.90 2.37 -4.45 4.20 3.02 -0.69 -5.00 115.26 110.80 1aaf n ASN 27 Ca -0.03 -3.78 -0.39 0.00 -0.03 0.00 0.00 54.58 50.35 1aaf n ASN 27 Cb 0.09 -0.62 -0.12 0.00 -0.61 0.00 0.00 39.78 38.53 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aaf n ARG 29 N 4.99 2.61 -1.70 0.00 1.85 -1.26 -4.98 116.66 118.17 1aaf n ARG 29 Ca -0.14 -3.32 -0.38 0.00 -1.00 0.00 0.00 57.85 53.01 1aaf n ARG 29 Cb 0.49 -2.21 0.06 0.00 -1.05 0.00 0.00 32.46 29.75 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aaf n ALA 30 N -0.97 1.01 -1.91 2.89 0.00 -1.26 -5.02 120.51 115.24 1aaf n ALA 30 Ca 0.57 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 1aaf n ALA 30 Cb 0.99 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.10 3.90 0.38 0.00 0.04 -1.26 -4.97 135.00 129.99 1aaf s PRO 31 Ca 0.78 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1aaf s PRO 31 Cb -0.40 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1aaf s PRO 31 CO 0.44 -0.24 0.00 -2.13 0.04 0.00 0.00 177.00 175.11 1aaf n ARG 32 N -1.57 -3.00 0.00 4.56 3.00 -1.26 -5.07 116.66 113.32 1aaf n ARG 32 Ca 0.06 2.27 0.00 0.00 -0.00 0.00 0.00 57.85 60.18 1aaf n ARG 32 Cb 0.54 -2.67 0.00 0.00 0.00 0.00 0.00 32.46 30.33 1aaf n ARG 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1aaf n LYS 33 N -1.49 0.00 -3.01 -0.14 0.00 -1.26 -4.92 118.16 107.35 1aaf n LYS 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1aaf n LYS 33 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1aaf n LYS 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1aaf n ARG 34 N -1.18 -2.21 0.00 1.64 1.85 -1.26 -5.17 116.66 110.34 1aaf n ARG 34 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1aaf n ARG 34 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1aaf n ARG 34 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aaf n GLY 35 N -0.00 -0.16 3.18 2.89 0.00 -1.26 -4.89 105.19 104.94 1aaf n GLY 35 Ca 0.00 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1aaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aaf n TRP 37 N 4.49 2.04 -0.04 0.00 7.02 -1.26 -0.51 117.44 129.17 1aaf n TRP 37 Ca -0.20 -1.23 -0.04 0.00 -1.02 0.00 0.00 57.50 55.02 1aaf n TRP 37 Cb 0.51 -0.61 -0.01 0.00 -2.42 0.00 0.00 31.31 28.78 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1aaf n LYS 38 N -0.39 0.25 0.05 -0.99 4.81 -1.26 -4.64 118.16 115.99 1aaf n LYS 38 Ca 0.37 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.95 1aaf n LYS 38 Cb 1.27 -1.08 -0.13 0.00 0.02 0.00 0.00 35.03 35.11 1aaf n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aaf n GLY 40 N 1.43 2.44 3.55 0.00 0.00 0.34 -5.07 105.19 107.88 1aaf n GLY 40 Ca -0.05 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -0.27 -0.61 1.61 2.36 -1.23 -4.55 119.74 117.05 1aaf s LYS 41 Ca 0.00 1.04 0.05 0.00 -2.55 0.00 0.00 55.97 54.52 1aaf s LYS 41 Cb 0.00 -1.61 0.19 0.00 -1.05 0.00 0.00 37.83 35.36 1aaf s LYS 41 CO 0.00 -3.35 0.53 -1.91 1.55 0.00 0.00 175.35 172.17 1aaf n GLU 42 N -4.68 1.59 -0.65 4.03 0.00 -1.26 -1.43 120.64 118.23 1aaf n GLU 42 Ca 0.06 -4.18 -0.03 0.00 0.00 0.00 0.00 57.16 53.01 1aaf n GLU 42 Cb 0.54 -2.07 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aaf n GLY 43 N 1.82 0.17 0.00 8.31 0.00 -1.26 -4.98 105.19 109.25 1aaf n GLY 43 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 -4.25 1.61 1.44 -1.26 -5.09 115.22 107.67 1aaf n HIS 44 Ca -0.12 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.33 1aaf n HIS 44 Cb 0.44 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.27 2.27 0.12 -1.40 -0.21 -1.26 -3.43 119.66 114.48 1aaf s GLN 45 Ca 0.00 -1.22 -0.19 0.00 0.02 0.00 0.00 55.36 53.98 1aaf s GLN 45 Cb 0.00 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 1aaf s GLN 45 CO 0.00 0.43 1.72 0.52 -2.12 0.00 0.00 175.29 175.84 1aaf h MET 46 N 2.62 0.37 0.00 2.91 2.86 -1.95 0.84 114.93 122.57 1aaf h MET 46 Ca -0.46 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1aaf h MET 46 Cb 1.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1aaf h MET 46 CO 0.57 0.33 -0.10 -0.22 1.06 0.00 0.00 176.91 178.55 1aaf h LYS 47 N 0.31 0.00 -0.65 1.72 3.64 -1.99 -0.69 116.57 118.91 1aaf h LYS 47 Ca 0.09 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.16 1aaf h LYS 47 Cb 0.07 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.71 1aaf h LYS 47 CO -0.01 0.10 0.26 -3.47 -2.27 0.00 0.00 179.45 174.06 1aaf n ASP 48 N -4.34 3.36 -4.69 4.20 2.03 -0.17 -4.97 116.55 111.98 1aaf n ASP 48 Ca -0.03 -3.60 -0.42 0.00 0.52 0.00 0.00 54.79 51.27 1aaf n ASP 48 Cb 0.18 -0.73 -0.03 0.00 -0.72 0.00 0.00 41.12 39.82 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 4.33 0.85 0.19 0.00 -2.24 -1.26 -4.84 114.28 111.31 1aaf n THR 50 Ca 0.05 -1.47 0.06 0.00 -2.27 0.00 0.00 64.05 60.43 1aaf n THR 50 Cb 0.50 0.35 0.32 0.00 -2.10 0.00 0.00 70.33 69.39 1aaf n THR 50 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1aaf h GLU 51 N 0.53 0.00 0.00 -0.78 4.39 -1.98 -3.48 114.58 113.26 1aaf h GLU 51 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1aaf h GLU 51 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1aaf h GLU 51 CO 0.03 0.36 0.00 -2.13 -1.16 0.00 0.00 179.01 176.11 1aaf n ARG 52 N -3.45 0.00 0.00 2.33 0.63 -1.26 -4.83 116.66 110.07 1aaf n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1aaf n ARG 52 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1aaf n ARG 52 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1aaf n GLN 53 N -1.14 0.00 0.00 -0.14 6.02 -1.26 -5.11 117.38 115.76 1aaf n GLN 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1aaf n GLN 53 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1aaf n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aaf n ALA 54 N -2.05 0.00 1.98 -1.58 0.00 -1.26 -5.30 120.51 112.30 1aaf n ALA 54 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1aaf n ALA 54 Cb 0.00 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.39 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79