#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 -0.99 -3.93 2.12 -0.06 -1.26 -5.01 117.38 108.25 1aaf n GLN 2 Ca 0.00 1.21 -0.33 0.00 -2.00 0.00 0.00 57.00 55.88 1aaf n GLN 2 Cb 0.00 -4.63 -0.14 0.00 -4.06 0.00 0.00 30.24 21.42 1aaf n GLN 2 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 1aaf s ARG 3 N -3.04 1.83 0.00 3.69 1.70 -1.26 -4.91 118.95 116.97 1aaf s ARG 3 Ca 0.01 -1.74 0.00 0.00 -0.47 0.00 0.00 55.73 53.53 1aaf s ARG 3 Cb -0.00 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1aaf s ARG 3 CO 0.55 -0.91 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1aaf n GLY 4 N 4.42 0.00 0.05 3.88 0.00 -1.26 -5.04 105.19 107.25 1aaf n GLY 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.56 0.00 -4.56 1.61 5.15 -1.26 -4.96 115.26 108.68 1aaf n ASN 5 Ca 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 1aaf n ASN 5 Cb 0.31 -0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 1aaf n ASN 5 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1aaf s PHE 6 N -0.13 1.26 -0.03 1.20 -0.71 -1.26 -4.69 117.98 113.62 1aaf s PHE 6 Ca 0.00 1.14 0.23 0.00 -1.04 0.00 0.00 56.93 57.26 1aaf s PHE 6 Cb 0.00 -3.79 0.41 0.00 -1.21 0.00 0.00 43.02 38.43 1aaf s PHE 6 CO 0.00 -2.85 1.17 2.89 -1.34 0.00 0.00 175.22 175.09 1aaf n ARG 7 N 8.94 0.21 -3.95 1.99 -4.01 -1.26 -5.01 116.66 113.56 1aaf n ARG 7 Ca 0.31 -2.13 -0.31 0.00 -1.04 0.00 0.00 57.85 54.69 1aaf n ARG 7 Cb 0.52 -0.23 -0.15 0.00 -3.04 0.00 0.00 32.46 29.56 1aaf n ARG 7 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1aaf s ASN 8 N -2.12 4.51 -0.34 2.89 4.22 -1.26 -4.90 114.94 117.94 1aaf s ASN 8 Ca 0.33 -1.92 0.07 0.00 -2.14 0.00 0.00 52.86 49.20 1aaf s ASN 8 Cb 0.37 -1.41 0.66 0.00 1.28 0.00 0.00 41.25 42.16 1aaf s ASN 8 CO -0.15 -0.37 1.77 0.00 -2.04 0.00 0.00 177.10 176.31 1aaf n GLN 9 N 4.43 3.02 0.00 3.55 10.64 -1.26 -4.74 117.38 133.03 1aaf n GLN 9 Ca 0.00 -2.80 0.00 0.00 -1.83 0.00 0.00 57.00 52.37 1aaf n GLN 9 Cb 0.42 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1aaf n ARG 10 N -0.44 0.00 0.00 2.61 1.74 -1.26 -5.01 116.66 114.30 1aaf n ARG 10 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1aaf n ARG 10 Cb 1.41 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1aaf n ARG 10 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1aaf n LYS 11 N -0.48 0.00 -2.67 5.56 5.02 -1.26 -4.88 118.16 119.45 1aaf n LYS 11 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1aaf n LYS 11 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1aaf n LYS 11 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1aaf n ILE 12 N -1.76 0.00 -1.80 -0.18 3.06 -1.26 -5.05 119.36 112.38 1aaf n ILE 12 Ca 0.00 -0.71 -0.38 0.00 -2.50 0.00 0.00 62.75 59.16 1aaf n ILE 12 Cb 0.00 1.11 -0.02 0.00 0.54 0.00 0.00 39.64 41.27 1aaf n ILE 12 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1aaf n ILE 13 N 1.07 4.87 0.00 9.51 -6.64 -1.26 -4.74 119.36 122.16 1aaf n ILE 13 Ca -0.01 -3.81 0.00 0.00 -1.77 0.00 0.00 62.75 57.16 1aaf n ILE 13 Cb 0.72 -2.14 0.00 0.00 -1.44 0.00 0.00 39.64 36.79 1aaf n ILE 13 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 1aaf n LYS 14 N 2.03 0.00 -4.00 6.28 2.85 -1.26 -4.62 118.16 119.44 1aaf n LYS 14 Ca 0.64 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.56 1aaf n LYS 14 Cb 0.28 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.57 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1aaf h PHE 16 N 6.58 0.00 0.00 0.00 0.04 -1.90 -1.34 116.94 120.32 1aaf h PHE 16 Ca -0.38 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.32 1aaf h PHE 16 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1aaf h PHE 16 CO 0.57 0.04 -1.10 -1.71 -0.60 0.00 0.00 178.31 175.52 1aaf n ASN 17 N -3.46 1.80 -0.00 2.17 5.15 -1.26 -4.66 115.26 114.99 1aaf n ASN 17 Ca -0.02 0.30 -0.09 0.00 -0.60 0.00 0.00 54.58 54.17 1aaf n ASN 17 Cb 0.16 -0.69 -0.14 0.00 -0.53 0.00 0.00 39.78 38.59 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 1.54 2.32 3.73 0.00 0.00 -0.50 -5.05 105.19 107.23 1aaf n GLY 19 Ca -0.14 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 2.48 -0.19 1.61 1.02 -1.26 -4.06 119.74 119.35 1aaf s LYS 20 Ca 0.00 1.93 -0.14 0.00 0.02 0.00 0.00 55.97 57.78 1aaf s LYS 20 Cb 0.00 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1aaf s LYS 20 CO 0.00 -1.62 0.32 -1.83 -0.92 0.00 0.00 175.35 171.30 1aaf s GLU 21 N -3.54 4.21 0.00 1.68 1.03 -1.26 -1.65 118.70 119.17 1aaf s GLU 21 Ca 0.79 0.10 0.00 0.00 0.03 0.00 0.00 54.97 55.89 1aaf s GLU 21 Cb -0.34 -3.48 0.00 0.00 -0.80 0.00 0.00 34.13 29.51 1aaf s GLU 21 CO 0.40 0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.85 1aaf n GLY 22 N 3.70 1.98 3.36 -3.83 0.00 -1.26 -4.96 105.19 104.17 1aaf n GLY 22 Ca -0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 1.67 0.34 1.61 -3.43 -1.26 -5.01 115.29 109.21 1aaf s HIS 23 Ca 0.00 -0.81 0.06 0.00 -0.80 0.00 0.00 55.06 53.51 1aaf s HIS 23 Cb 0.00 -0.94 -0.01 0.00 -1.43 0.00 0.00 32.58 30.20 1aaf s HIS 23 CO 0.00 0.11 0.48 0.96 -2.00 0.00 0.00 174.74 174.28 1aaf s ILE 24 N -3.24 4.16 -0.60 -5.38 -0.00 -1.26 -3.77 121.20 111.10 1aaf s ILE 24 Ca 0.27 -0.96 0.25 0.00 -0.00 0.00 0.00 60.65 60.21 1aaf s ILE 24 Cb 0.04 -3.45 0.28 0.00 -0.00 0.00 0.00 42.46 39.33 1aaf s ILE 24 CO 0.09 -0.18 1.65 0.00 -0.00 0.00 0.00 174.94 176.49 1aaf h ALA 25 N 0.88 0.95 -0.03 2.27 0.00 -1.94 -2.13 119.26 119.26 1aaf h ALA 25 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1aaf h ALA 25 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aaf h ALA 25 CO 0.54 0.00 0.04 0.87 0.00 0.00 0.00 179.25 180.70 1aaf h LYS 26 N 0.00 0.00 0.00 0.00 1.57 -2.00 -1.95 116.57 114.19 1aaf h LYS 26 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1aaf h LYS 26 Cb 0.85 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 1aaf h LYS 26 CO 0.00 0.00 -0.56 -1.71 -0.57 0.00 0.00 179.45 176.61 1aaf n ASN 27 N -3.57 1.63 -4.40 0.86 4.05 -0.80 -5.00 115.26 108.03 1aaf n ASN 27 Ca -0.02 -3.68 -0.45 0.00 0.45 0.00 0.00 54.58 50.88 1aaf n ASN 27 Cb 0.13 -0.50 -0.04 0.00 1.23 0.00 0.00 39.78 40.59 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 6.33 4.84 -1.83 0.00 5.12 -1.26 -5.04 116.66 124.82 1aaf n ARG 29 Ca 0.00 -4.60 -0.42 0.00 -1.93 0.00 0.00 57.85 50.90 1aaf n ARG 29 Cb 0.45 -2.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.23 1aaf n ARG 29 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aaf s ALA 30 N -3.39 3.80 1.17 7.54 0.00 -1.26 -4.89 121.76 124.72 1aaf s ALA 30 Ca 0.34 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.66 1aaf s ALA 30 Cb 0.10 -3.65 0.28 0.00 0.00 0.00 0.00 23.12 19.86 1aaf s ALA 30 CO 0.02 -0.89 1.03 -1.25 0.00 0.00 0.00 175.76 174.67 1aaf s PRO 31 N 0.40 -0.92 -0.26 0.00 0.04 -1.26 -5.00 135.00 128.00 1aaf s PRO 31 Ca 0.68 0.59 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1aaf s PRO 31 Cb -0.47 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1aaf s PRO 31 CO 0.39 -3.66 -0.10 0.50 0.04 0.00 0.00 177.00 174.17 1aaf s ARG 32 N -4.71 2.21 -0.89 4.56 6.06 -1.26 -5.05 118.95 119.88 1aaf s ARG 32 Ca 0.68 -1.37 -0.25 0.00 -2.50 0.00 0.00 55.73 52.29 1aaf s ARG 32 Cb -0.21 -2.91 -0.10 0.00 0.06 0.00 0.00 34.95 31.79 1aaf s ARG 32 CO 0.62 -0.59 2.15 0.15 -2.50 0.00 0.00 175.30 175.13 1aaf s LYS 33 N 1.09 2.04 0.18 5.12 3.01 -1.26 -4.87 119.74 125.06 1aaf s LYS 33 Ca -0.08 -0.05 0.04 0.00 -1.01 0.00 0.00 55.97 54.87 1aaf s LYS 33 Cb -0.20 -4.96 -0.05 0.00 -1.01 0.00 0.00 37.83 31.62 1aaf s LYS 33 CO -0.05 -4.04 -0.06 1.03 0.51 0.00 0.00 175.35 172.74 1aaf s ARG 34 N 7.86 1.17 0.00 1.68 1.81 -1.26 -5.16 118.95 125.05 1aaf s ARG 34 Ca 0.80 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 1aaf s ARG 34 Cb -0.09 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.82 1aaf s ARG 34 CO 0.05 -0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 1aaf n GLY 35 N -0.28 1.11 3.70 -3.53 0.00 -1.26 -4.95 105.19 99.97 1aaf n GLY 35 Ca -0.08 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 7.05 0.00 0.06 0.00 6.55 -1.89 -0.32 115.95 127.40 1aaf h TRP 37 Ca -0.39 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.35 1aaf h TRP 37 Cb 1.16 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.47 1aaf h TRP 37 CO 0.63 0.50 -0.45 -0.22 -1.05 0.00 0.00 178.44 177.85 1aaf h LYS 38 N 0.00 0.13 0.00 0.49 1.63 -1.94 -3.37 116.57 113.52 1aaf h LYS 38 Ca -0.02 -0.23 -0.20 0.00 -0.85 0.00 0.00 60.65 59.35 1aaf h LYS 38 Cb 1.40 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 33.08 1aaf h LYS 38 CO 0.06 1.11 -1.89 0.00 -3.45 0.00 0.00 179.45 175.29 1aaf n GLY 40 N 1.49 2.97 3.77 0.00 0.00 -0.13 -5.07 105.19 108.21 1aaf n GLY 40 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.48 4.57 -0.58 1.61 1.02 -1.22 -4.61 119.74 120.05 1aaf s LYS 41 Ca 0.00 1.52 -0.16 0.00 0.02 0.00 0.00 55.97 57.35 1aaf s LYS 41 Cb 0.00 -2.95 0.14 0.00 -0.52 0.00 0.00 37.83 34.50 1aaf s LYS 41 CO 0.00 0.22 0.55 -1.21 -0.92 0.00 0.00 175.35 173.99 1aaf s GLU 42 N -1.80 3.08 0.08 1.68 2.02 -1.26 -1.17 118.70 121.32 1aaf s GLU 42 Ca 0.48 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1aaf s GLU 42 Cb -0.24 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1aaf s GLU 42 CO 0.31 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1aaf n GLY 43 N 5.08 -1.85 3.83 -1.39 0.00 -1.26 -4.94 105.19 104.65 1aaf n GLY 43 Ca -0.10 0.59 -0.23 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.41 2.58 0.28 1.61 -3.43 -1.26 -4.98 115.29 108.68 1aaf s HIS 44 Ca 0.00 -0.56 0.10 0.00 -0.80 0.00 0.00 55.06 53.80 1aaf s HIS 44 Cb 0.00 -2.08 -0.05 0.00 -1.43 0.00 0.00 32.58 29.03 1aaf s HIS 44 CO 0.00 -0.04 -0.02 -1.14 -2.00 0.00 0.00 174.74 171.54 1aaf s GLN 45 N -4.06 2.19 0.47 -0.38 0.74 -1.26 -3.58 119.66 113.78 1aaf s GLN 45 Ca 0.44 -1.51 0.14 0.00 0.05 0.00 0.00 55.36 54.48 1aaf s GLN 45 Cb -0.00 -2.08 1.09 0.00 1.10 0.00 0.00 33.01 33.12 1aaf s GLN 45 CO 0.25 0.32 2.06 1.98 -0.55 0.00 0.00 175.29 179.35 1aaf h MET 46 N 1.91 0.05 0.00 1.67 1.85 -1.93 0.91 114.93 119.40 1aaf h MET 46 Ca -0.43 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1aaf h MET 46 Cb 1.25 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.27 1aaf h MET 46 CO 0.61 0.13 0.00 -0.22 -0.40 0.00 0.00 176.91 177.03 1aaf h LYS 47 N 0.05 0.00 0.00 0.39 1.63 -2.04 0.26 116.57 116.87 1aaf h LYS 47 Ca 0.01 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.58 1aaf h LYS 47 Cb 0.16 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1aaf h LYS 47 CO 0.01 0.00 -1.86 -0.25 -3.45 0.00 0.00 179.45 173.90 1aaf n ASP 48 N -2.71 1.92 -4.67 4.20 9.92 0.12 -4.96 116.55 120.37 1aaf n ASP 48 Ca -0.02 -0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.82 1aaf n ASP 48 Cb 0.09 0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 41.33 1aaf n ASP 48 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aaf n THR 50 N 5.26 0.65 -1.58 0.00 5.66 -1.26 -4.86 114.28 118.14 1aaf n THR 50 Ca 0.18 -1.41 -0.18 0.00 -3.05 0.00 0.00 64.05 59.58 1aaf n THR 50 Cb 0.41 0.53 -0.08 0.00 -1.55 0.00 0.00 70.33 69.65 1aaf n THR 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1aaf n GLU 51 N -0.12 -1.43 -2.36 1.09 0.28 -1.26 -3.44 120.64 113.40 1aaf n GLU 51 Ca 0.09 1.08 -0.02 0.00 -0.16 0.00 0.00 57.16 58.14 1aaf n GLU 51 Cb 0.92 -5.43 -0.02 0.00 1.43 0.00 0.00 31.44 28.34 1aaf n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1aaf n ARG 52 N -2.26 -4.74 0.00 3.44 3.00 -1.26 -5.04 116.66 109.81 1aaf n ARG 52 Ca -0.19 3.51 0.00 0.00 -0.00 0.00 0.00 57.85 61.17 1aaf n ARG 52 Cb 0.61 -4.63 0.00 0.00 0.00 0.00 0.00 32.46 28.44 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 1.69 0.00 -2.54 -0.14 7.27 -1.22 -5.13 117.38 117.31 1aaf n GLN 53 Ca -0.14 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.89 1aaf n GLN 53 Cb 0.22 -0.33 -0.04 0.00 2.41 0.00 0.00 30.24 32.50 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 -2.21 -3.64 -0.55 1.69 0.00 -1.26 -5.23 120.51 109.30 1aaf n ALA 54 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 53.44 55.37 1aaf n ALA 54 Cb 0.11 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 15.79 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59