#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 -3.61 3.17 -0.06 -1.26 -5.18 117.38 110.44 1aaf n GLN 2 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1aaf n GLN 2 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 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 -0.08 1.01 0.58 3.69 6.06 -1.26 -4.98 118.95 123.96 1aaf s ARG 3 Ca 0.00 -0.47 0.31 0.00 -2.50 0.00 0.00 55.73 53.07 1aaf s ARG 3 Cb 0.00 0.40 1.78 0.00 0.06 0.00 0.00 34.95 37.19 1aaf s ARG 3 CO 0.00 -0.45 2.21 0.78 -2.50 0.00 0.00 175.30 175.34 1aaf h GLY 4 N 2.00 0.00 -4.09 8.12 0.00 -2.04 -3.47 103.07 103.59 1aaf h GLY 4 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1aaf h GLY 4 CO 0.29 0.00 -0.72 -2.01 0.00 0.00 0.00 176.54 174.10 1aaf n ASN 5 N -3.68 -2.85 -1.04 0.19 5.15 -1.26 -4.96 115.26 106.81 1aaf n ASN 5 Ca -0.03 0.74 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1aaf n ASN 5 Cb 0.13 -3.30 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 1aaf n ASN 5 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1aaf n PHE 6 N 0.68 -2.38 -1.65 1.20 -0.00 -1.26 -4.70 117.46 109.35 1aaf n PHE 6 Ca -0.13 1.31 -0.30 0.00 -0.00 0.00 0.00 57.45 58.33 1aaf n PHE 6 Cb 0.20 -2.67 -0.04 0.00 -0.00 0.00 0.00 39.48 36.98 1aaf n PHE 6 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1aaf s ARG 7 N -2.62 2.07 -0.26 -4.13 3.52 -1.26 -4.72 118.95 111.55 1aaf s ARG 7 Ca 0.00 0.98 -0.09 0.00 -0.13 0.00 0.00 55.73 56.49 1aaf s ARG 7 Cb 0.00 -4.63 -0.15 0.00 -1.56 0.00 0.00 34.95 28.61 1aaf s ARG 7 CO 0.00 -3.50 -0.23 -1.71 -0.81 0.00 0.00 175.30 169.05 1aaf n ASN 8 N 16.07 1.97 0.00 -2.12 4.05 -1.26 -4.98 115.26 128.98 1aaf n ASN 8 Ca 0.37 0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.58 1aaf n ASN 8 Cb 0.51 -0.70 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1aaf n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aaf n GLN 9 N -3.90 0.00 -4.10 1.20 10.64 -1.26 -5.16 117.38 114.79 1aaf n GLN 9 Ca -0.49 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 54.59 1aaf n GLN 9 Cb 0.91 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.19 1aaf n GLN 9 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1aaf s ARG 10 N 0.00 0.65 0.00 2.61 0.52 -1.26 -5.15 118.95 116.32 1aaf s ARG 10 Ca 0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1aaf s ARG 10 Cb 0.00 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.51 1aaf s ARG 10 CO 0.00 -0.07 0.00 1.17 0.02 0.00 0.00 175.30 176.42 1aaf n LYS 11 N 0.28 -0.91 -1.68 3.54 4.81 -1.26 -5.08 118.16 117.86 1aaf n LYS 11 Ca -0.15 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.88 1aaf n LYS 11 Cb 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.62 1aaf n LYS 11 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1aaf s ILE 12 N -3.00 3.10 -0.23 3.15 1.10 -1.26 -4.82 121.20 119.24 1aaf s ILE 12 Ca 0.00 0.09 -0.28 0.00 -0.51 0.00 0.00 60.65 59.95 1aaf s ILE 12 Cb 0.00 -3.15 -0.05 0.00 0.15 0.00 0.00 42.46 39.41 1aaf s ILE 12 CO 0.00 -0.12 2.13 -0.51 -2.11 0.00 0.00 174.94 174.33 1aaf s ILE 13 N 9.12 3.10 0.24 2.00 -1.16 -1.26 -4.89 121.20 128.35 1aaf s ILE 13 Ca 0.95 0.10 -0.05 0.00 -0.51 0.00 0.00 60.65 61.14 1aaf s ILE 13 Cb -0.26 -3.13 -0.02 0.00 0.61 0.00 0.00 42.46 39.66 1aaf s ILE 13 CO 0.32 -0.08 0.31 -1.59 -2.81 0.00 0.00 174.94 171.09 1aaf s LYS 14 N 6.14 1.45 -0.23 3.50 0.00 -1.26 -2.46 119.74 126.88 1aaf s LYS 14 Ca 0.96 -1.52 -0.09 0.00 0.00 0.00 0.00 55.97 55.32 1aaf s LYS 14 Cb -0.31 0.37 -0.04 0.00 0.00 0.00 0.00 37.83 37.84 1aaf s LYS 14 CO 0.35 -0.55 0.12 0.00 0.00 0.00 0.00 175.35 175.27 1aaf h PHE 16 N 7.49 0.00 0.00 0.00 3.57 -1.89 -1.39 116.94 124.72 1aaf h PHE 16 Ca -0.37 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.98 1aaf h PHE 16 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1aaf h PHE 16 CO 0.65 0.05 -1.19 -1.71 -2.23 0.00 0.00 178.31 173.89 1aaf n ASN 17 N -3.29 1.88 0.02 0.41 5.15 -1.26 -4.55 115.26 113.61 1aaf n ASN 17 Ca -0.01 0.46 0.06 0.00 -0.60 0.00 0.00 54.58 54.49 1aaf n ASN 17 Cb 0.22 -0.86 -0.10 0.00 -0.53 0.00 0.00 39.78 38.52 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 1.33 3.17 3.70 0.00 0.00 -0.52 -5.04 105.19 107.83 1aaf n GLY 19 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.71 4.45 -0.52 1.61 -0.14 -1.25 -4.54 119.74 118.64 1aaf s LYS 20 Ca 0.00 1.57 -0.23 0.00 -1.36 0.00 0.00 55.97 55.95 1aaf s LYS 20 Cb 0.00 -3.47 0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1aaf s LYS 20 CO 0.00 -0.25 0.87 -1.83 -0.76 0.00 0.00 175.35 173.38 1aaf s GLU 21 N 1.49 3.32 0.00 1.68 -1.05 -1.26 -1.77 118.70 121.11 1aaf s GLU 21 Ca 0.54 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1aaf s GLU 21 Cb -0.24 -4.03 0.00 0.00 -0.44 0.00 0.00 34.13 29.42 1aaf s GLU 21 CO 0.25 -1.37 0.00 0.41 0.95 0.00 0.00 175.26 175.50 1aaf n GLY 22 N 5.09 -1.94 3.98 -3.83 0.00 -1.03 -1.22 105.19 106.24 1aaf n GLY 22 Ca 0.01 0.63 -0.21 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 2.60 0.26 1.61 -3.43 -1.26 -4.78 115.29 110.30 1aaf s HIS 23 Ca 0.00 -0.08 0.06 0.00 -0.80 0.00 0.00 55.06 54.23 1aaf s HIS 23 Cb 0.00 -2.77 -0.03 0.00 -1.43 0.00 0.00 32.58 28.35 1aaf s HIS 23 CO 0.00 -1.01 0.37 0.96 -2.00 0.00 0.00 174.74 173.06 1aaf s ILE 24 N -2.81 4.91 0.02 -5.38 -4.36 -1.26 -2.80 121.20 109.51 1aaf s ILE 24 Ca 0.59 -1.03 0.26 0.00 -0.26 0.00 0.00 60.65 60.21 1aaf s ILE 24 Cb -0.09 -3.72 0.26 0.00 1.25 0.00 0.00 42.46 40.16 1aaf s ILE 24 CO 0.39 -0.29 1.78 0.00 0.24 0.00 0.00 174.94 177.06 1aaf h ALA 25 N 1.14 1.03 0.01 2.27 0.00 -1.90 -1.76 119.26 120.06 1aaf h ALA 25 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1aaf h ALA 25 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1aaf h ALA 25 CO 0.59 -0.03 -0.01 -0.22 0.00 0.00 0.00 179.25 179.58 1aaf h LYS 26 N 0.00 -0.02 -1.01 0.00 3.11 -1.99 -1.67 116.57 115.00 1aaf h LYS 26 Ca 0.00 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 57.37 1aaf h LYS 26 Cb 0.08 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 31.04 1aaf h LYS 26 CO 0.00 0.17 0.59 -1.71 -2.81 0.00 0.00 179.45 175.69 1aaf n ASN 27 N -5.01 3.90 -4.50 4.20 4.05 -0.67 -4.95 115.26 112.28 1aaf n ASN 27 Ca -0.08 -3.43 -0.37 0.00 0.45 0.00 0.00 54.58 51.15 1aaf n ASN 27 Cb 0.12 -0.81 -0.12 0.00 1.23 0.00 0.00 39.78 40.20 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aaf n ARG 29 N 4.88 2.28 -2.08 0.00 0.00 -1.26 -4.98 116.66 115.50 1aaf n ARG 29 Ca -0.16 -4.26 -0.37 0.00 -0.00 0.00 0.00 57.85 53.07 1aaf n ARG 29 Cb 0.52 -2.01 0.01 0.00 0.00 0.00 0.00 32.46 30.99 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 -2.91 2.80 0.00 5.13 0.00 -1.26 -5.05 121.76 120.47 1aaf s ALA 30 Ca 0.44 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1aaf s ALA 30 Cb 0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1aaf s ALA 30 CO -0.11 -0.97 0.00 -0.35 0.00 0.00 0.00 175.76 174.33 1aaf n PRO 31 N -0.96 2.44 -3.75 0.00 -0.04 -1.26 -5.06 135.00 126.36 1aaf n PRO 31 Ca 0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 1aaf n PRO 31 Cb 0.48 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.79 1aaf n PRO 31 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1aaf s ARG 32 N 0.82 0.78 -0.01 0.54 3.00 -1.26 -4.98 118.95 117.84 1aaf s ARG 32 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 55.73 54.70 1aaf s ARG 32 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 34.95 32.87 1aaf s ARG 32 CO 0.00 -0.93 0.00 1.63 0.00 0.00 0.00 175.30 176.00 1aaf n LYS 33 N 4.84 3.49 -0.70 3.54 4.76 -1.26 -5.13 118.16 127.69 1aaf n LYS 33 Ca -0.03 -0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.50 1aaf n LYS 33 Cb 0.43 -1.01 -0.02 0.00 -1.84 0.00 0.00 35.03 32.58 1aaf n LYS 33 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1aaf n ARG 34 N -1.97 -1.41 0.00 1.97 1.85 -1.26 -5.02 116.66 110.82 1aaf n ARG 34 Ca -0.01 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.77 1aaf n ARG 34 Cb 0.46 -1.72 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 -2.10 1.83 3.61 2.89 0.00 -1.23 -4.98 105.19 105.21 1aaf n GLY 35 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 11.06 2.96 -0.06 0.00 -0.00 -1.26 -1.70 117.44 128.44 1aaf n TRP 37 Ca 0.27 -2.31 -0.08 0.00 -0.00 0.00 0.00 57.50 55.39 1aaf n TRP 37 Cb 0.45 -1.14 -0.07 0.00 -0.00 0.00 0.00 31.31 30.55 1aaf n TRP 37 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1aaf n LYS 38 N -0.92 1.08 -0.02 5.87 4.01 -1.26 -4.82 118.16 122.09 1aaf n LYS 38 Ca 0.58 0.05 -0.04 0.00 -0.51 0.00 0.00 58.31 58.39 1aaf n LYS 38 Cb 1.15 -1.27 -0.02 0.00 -0.51 0.00 0.00 35.03 34.38 1aaf n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aaf n GLY 40 N 3.19 1.26 3.19 0.00 0.00 -0.69 -5.12 105.19 107.01 1aaf n GLY 40 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1aaf n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aaf n LYS 41 N 0.00 -2.63 -0.48 1.61 4.81 -1.20 -4.70 118.16 115.56 1aaf n LYS 41 Ca 0.00 -1.61 0.01 0.00 -0.87 0.00 0.00 58.31 55.84 1aaf n LYS 41 Cb 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 33.63 1aaf n LYS 41 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1aaf n GLU 42 N -4.33 0.08 0.02 1.64 4.71 -1.26 0.31 120.64 121.81 1aaf n GLU 42 Ca 0.14 -1.11 0.03 0.00 -0.01 0.00 0.00 57.16 56.20 1aaf n GLU 42 Cb 0.53 -0.56 -0.10 0.00 -1.01 0.00 0.00 31.44 30.30 1aaf n GLU 42 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1aaf n GLY 43 N -0.09 -1.17 3.34 0.62 0.00 -0.36 -4.15 105.19 103.38 1aaf n GLY 43 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.70 -1.34 -3.64 1.61 1.44 -1.26 -4.91 115.22 104.42 1aaf n HIS 44 Ca -0.10 -2.43 0.00 0.00 -2.01 0.00 0.00 57.72 53.18 1aaf n HIS 44 Cb 0.78 0.51 0.00 0.00 0.12 0.00 0.00 29.99 31.40 1aaf n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1aaf n GLN 45 N -0.59 2.16 0.30 -1.40 -0.00 -1.26 -3.59 117.38 113.00 1aaf n GLN 45 Ca 0.02 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 57.17 1aaf n GLN 45 Cb 0.59 0.00 0.92 0.00 -0.00 0.00 0.00 30.24 31.75 1aaf n GLN 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aaf h MET 46 N 0.00 0.00 0.16 2.61 -0.00 -1.99 -0.47 114.93 115.24 1aaf h MET 46 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1aaf h MET 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1aaf h MET 46 CO 0.00 0.02 -0.07 -0.22 -0.00 0.00 0.00 176.91 176.63 1aaf h LYS 47 N 0.00 -0.20 -1.01 -0.10 3.11 -2.05 -1.72 116.57 114.60 1aaf h LYS 47 Ca -0.00 0.01 -0.50 0.00 -2.81 0.00 0.00 60.65 57.35 1aaf h LYS 47 Cb 0.04 0.05 -0.29 0.00 -1.00 0.00 0.00 32.23 31.03 1aaf h LYS 47 CO 0.00 -0.05 0.64 -3.47 -2.81 0.00 0.00 179.45 173.76 1aaf n ASP 48 N -5.13 4.05 -4.80 4.20 2.03 -0.22 -4.98 116.55 111.70 1aaf n ASP 48 Ca -0.09 -3.53 -0.36 0.00 0.52 0.00 0.00 54.79 51.34 1aaf n ASP 48 Cb 0.15 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 39.65 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 0.21 2.95 -0.06 0.00 -1.04 -1.26 -4.94 114.28 110.13 1aaf n THR 50 Ca 0.03 -1.84 0.00 0.00 -2.04 0.00 0.00 64.05 60.20 1aaf n THR 50 Cb 0.51 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1aaf n THR 50 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1aaf n GLU 51 N -0.69 -1.53 -1.57 -2.82 2.13 -1.26 -5.00 120.64 109.89 1aaf n GLU 51 Ca 0.49 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.26 1aaf n GLU 51 Cb 1.17 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.88 1aaf n GLU 51 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1aaf n ARG 52 N -1.71 0.46 -3.83 5.31 1.74 -1.26 -5.10 116.66 112.27 1aaf n ARG 52 Ca 0.00 -1.17 -0.32 0.00 -0.77 0.00 0.00 57.85 55.59 1aaf n ARG 52 Cb 0.00 0.41 -0.05 0.00 -1.02 0.00 0.00 32.46 31.80 1aaf n ARG 52 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1aaf s GLN 53 N -0.05 3.51 -0.30 5.56 1.11 -1.26 -5.08 119.66 123.15 1aaf s GLN 53 Ca 0.05 -0.26 -0.17 0.00 0.01 0.00 0.00 55.36 54.98 1aaf s GLN 53 Cb 0.16 -3.02 0.18 0.00 -1.01 0.00 0.00 33.01 29.32 1aaf s GLN 53 CO -0.05 0.60 1.15 0.00 0.01 0.00 0.00 175.29 177.01 1aaf s ALA 54 N -1.45 -2.92 0.00 6.09 0.00 -1.26 -5.23 121.76 116.99 1aaf s ALA 54 Ca 0.33 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1aaf s ALA 54 Cb -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1aaf s ALA 54 CO 0.23 -0.84 0.00 -1.71 0.00 0.00 0.00 175.76 173.44