#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 -2.34 -3.64 0.03 10.64 -1.26 -4.99 117.38 115.82 1aaf n GLN 2 Ca 0.00 1.54 -0.05 0.00 -1.83 0.00 0.00 57.00 56.67 1aaf n GLN 2 Cb 0.00 -2.85 -0.07 0.00 -0.86 0.00 0.00 30.24 26.46 1aaf n GLN 2 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1aaf s ARG 3 N -1.78 0.41 0.00 2.61 1.70 -1.26 -5.17 118.95 115.46 1aaf s ARG 3 Ca 0.00 0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.88 1aaf s ARG 3 Cb 0.00 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 1aaf s ARG 3 CO 0.00 -0.07 0.00 0.41 -1.08 0.00 0.00 175.30 174.56 1aaf n GLY 4 N 3.16 2.65 2.45 3.88 0.00 -1.26 -4.99 105.19 111.08 1aaf n GLY 4 Ca -0.16 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1aaf n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aaf n ASN 5 N 0.00 -5.28 0.00 1.61 3.02 -1.26 -4.93 115.26 108.43 1aaf n ASN 5 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1aaf n ASN 5 Cb 0.00 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 1aaf n ASN 5 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1aaf n PHE 6 N -3.18 0.00 0.00 3.10 -1.74 -1.26 -5.07 117.46 109.31 1aaf n PHE 6 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 1aaf n PHE 6 Cb 0.63 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.63 1aaf n PHE 6 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1aaf n ARG 7 N -0.08 0.00 -1.67 3.97 0.63 -1.26 -5.08 116.66 113.18 1aaf n ARG 7 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1aaf n ARG 7 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1aaf n ARG 7 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1aaf s ASN 8 N -0.41 3.98 0.00 6.15 4.22 -1.26 -4.74 114.94 122.88 1aaf s ASN 8 Ca 0.00 -0.38 0.00 0.00 -2.14 0.00 0.00 52.86 50.34 1aaf s ASN 8 Cb 0.00 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.96 1aaf s ASN 8 CO 0.00 -3.93 0.00 1.67 -2.04 0.00 0.00 177.10 172.80 1aaf n GLN 9 N 8.64 0.00 0.00 3.55 7.27 -1.26 -4.86 117.38 130.72 1aaf n GLN 9 Ca 0.45 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.56 1aaf n GLN 9 Cb 0.45 -0.44 0.00 0.00 2.41 0.00 0.00 30.24 32.66 1aaf n GLN 9 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1aaf n ARG 10 N -0.89 0.00 -2.52 3.69 1.74 -1.26 -4.80 116.66 112.62 1aaf n ARG 10 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1aaf n ARG 10 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1aaf n LYS 11 N 0.00 -3.48 -1.31 5.56 3.00 -1.26 -4.87 118.16 115.80 1aaf n LYS 11 Ca 0.00 2.76 -0.32 0.00 -0.00 0.00 0.00 58.31 60.75 1aaf n LYS 11 Cb 0.00 -4.75 0.07 0.00 0.00 0.00 0.00 35.03 30.35 1aaf n LYS 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1aaf n ILE 12 N 0.97 3.49 -1.70 3.15 0.13 -1.26 -4.80 119.36 119.34 1aaf n ILE 12 Ca -0.15 -2.83 -0.37 0.00 -1.10 0.00 0.00 62.75 58.29 1aaf n ILE 12 Cb 0.23 -1.20 -0.02 0.00 -0.84 0.00 0.00 39.64 37.81 1aaf n ILE 12 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 1aaf n ILE 13 N -0.66 4.72 0.00 9.51 -6.64 -1.26 -4.54 119.36 120.49 1aaf n ILE 13 Ca 0.57 -3.56 0.00 0.00 -1.77 0.00 0.00 62.75 57.99 1aaf n ILE 13 Cb 0.61 -2.20 0.00 0.00 -1.44 0.00 0.00 39.64 36.61 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 2.27 0.00 -2.05 6.28 -0.00 -1.26 -4.78 118.16 118.62 1aaf n LYS 14 Ca 0.66 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.56 1aaf n LYS 14 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.30 1aaf n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aaf h PHE 16 N 4.86 0.00 0.00 0.00 0.04 -1.88 -0.70 116.94 119.25 1aaf h PHE 16 Ca -0.46 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.15 1aaf h PHE 16 Cb 1.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 1aaf h PHE 16 CO 0.60 0.05 -1.52 -1.71 -0.60 0.00 0.00 178.31 175.13 1aaf n ASN 17 N -3.17 1.90 0.01 2.17 5.15 -1.26 -4.61 115.26 115.46 1aaf n ASN 17 Ca 0.01 0.33 -0.04 0.00 -0.60 0.00 0.00 54.58 54.27 1aaf n ASN 17 Cb 0.34 -0.75 -0.11 0.00 -0.53 0.00 0.00 39.78 38.73 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 1.46 2.96 3.77 0.00 0.00 -0.27 -5.02 105.19 108.09 1aaf n GLY 19 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.03 2.82 0.05 1.61 1.02 -1.26 -4.27 119.74 119.68 1aaf s LYS 20 Ca 0.00 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 57.44 1aaf s LYS 20 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1aaf s LYS 20 CO 0.00 -1.25 0.19 -1.83 -0.92 0.00 0.00 175.35 171.54 1aaf s GLU 21 N -3.96 3.38 0.00 1.68 1.03 -1.26 -1.61 118.70 117.96 1aaf s GLU 21 Ca 0.68 -0.45 0.00 0.00 0.03 0.00 0.00 54.97 55.24 1aaf s GLU 21 Cb -0.22 -3.01 0.00 0.00 -0.80 0.00 0.00 34.13 30.10 1aaf s GLU 21 CO 0.40 0.62 0.00 0.41 -1.33 0.00 0.00 175.26 175.35 1aaf n GLY 22 N 0.42 1.23 3.33 -3.83 0.00 -1.26 -4.99 105.19 100.09 1aaf n GLY 22 Ca -0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.34 1.59 0.44 1.61 -3.43 -1.26 -5.07 115.29 108.82 1aaf s HIS 23 Ca 0.00 -0.73 0.03 0.00 -0.80 0.00 0.00 55.06 53.56 1aaf s HIS 23 Cb 0.00 -0.83 0.00 0.00 -1.43 0.00 0.00 32.58 30.32 1aaf s HIS 23 CO 0.00 0.17 0.63 0.96 -2.00 0.00 0.00 174.74 174.50 1aaf s ILE 24 N -3.19 3.63 -0.35 -5.38 -4.36 -1.26 -3.92 121.20 106.37 1aaf s ILE 24 Ca 0.23 -0.72 0.21 0.00 -0.26 0.00 0.00 60.65 60.11 1aaf s ILE 24 Cb 0.03 -3.31 0.23 0.00 1.25 0.00 0.00 42.46 40.66 1aaf s ILE 24 CO 0.06 -0.18 1.49 0.00 0.24 0.00 0.00 174.94 176.56 1aaf h ALA 25 N 0.49 0.87 -0.01 2.27 0.00 -1.94 -1.52 119.26 119.41 1aaf h ALA 25 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1aaf h ALA 25 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aaf h ALA 25 CO 0.54 0.16 0.01 0.87 0.00 0.00 0.00 179.25 180.82 1aaf h LYS 26 N 0.00 0.00 -0.81 0.00 1.57 -2.04 -1.69 116.57 113.60 1aaf h LYS 26 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1aaf h LYS 26 Cb 1.10 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.06 1aaf h LYS 26 CO 0.02 0.00 -0.14 0.09 -0.57 0.00 0.00 179.45 178.85 1aaf n ASN 27 N -4.52 5.72 -4.30 0.86 3.02 -0.58 -4.97 115.26 110.49 1aaf n ASN 27 Ca -0.03 -3.77 -0.46 0.00 -0.03 0.00 0.00 54.58 50.30 1aaf n ASN 27 Cb 0.10 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 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 4.57 4.44 -1.77 0.00 5.12 -1.26 -5.04 116.66 122.73 1aaf n ARG 29 Ca -0.00 -4.25 -0.40 0.00 -1.93 0.00 0.00 57.85 51.26 1aaf n ARG 29 Cb 0.43 -2.61 0.01 0.00 -1.16 0.00 0.00 32.46 29.13 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 1.74 2.16 -1.89 7.54 0.00 -1.26 -4.77 120.51 124.03 1aaf n ALA 30 Ca 0.35 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 1aaf n ALA 30 Cb 0.32 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 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 -2.34 4.20 -0.41 0.00 0.04 -1.26 -4.96 135.00 130.28 1aaf s PRO 31 Ca 0.58 2.41 -0.20 0.00 0.04 0.00 0.00 61.00 63.83 1aaf s PRO 31 Cb -0.46 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1aaf s PRO 31 CO 0.60 -0.63 0.63 0.50 0.04 0.00 0.00 177.00 178.15 1aaf s ARG 32 N 1.05 3.43 -1.20 4.56 6.06 -1.26 -4.97 118.95 126.62 1aaf s ARG 32 Ca 0.70 -0.22 -0.18 0.00 -2.50 0.00 0.00 55.73 53.54 1aaf s ARG 32 Cb -0.45 -3.90 0.09 0.00 0.06 0.00 0.00 34.95 30.76 1aaf s ARG 32 CO 0.32 -0.90 1.57 0.15 -2.50 0.00 0.00 175.30 173.94 1aaf s LYS 33 N 2.77 3.91 -0.19 5.12 3.01 -1.26 -4.86 119.74 128.24 1aaf s LYS 33 Ca 0.23 -1.96 -0.06 0.00 -1.01 0.00 0.00 55.97 53.17 1aaf s LYS 33 Cb -0.14 -5.35 0.09 0.00 -1.01 0.00 0.00 37.83 31.41 1aaf s LYS 33 CO 0.17 -2.10 0.39 1.03 0.51 0.00 0.00 175.35 175.35 1aaf s ARG 34 N 3.64 0.29 0.00 1.68 0.52 -1.26 -5.13 118.95 118.70 1aaf s ARG 34 Ca 0.48 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1aaf s ARG 34 Cb 0.01 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.73 1aaf s ARG 34 CO 0.02 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.48 1aaf n GLY 35 N 5.38 -1.77 3.57 -3.53 0.00 -1.26 -4.77 105.19 102.81 1aaf n GLY 35 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 8.39 0.00 0.00 0.00 5.08 -1.85 -0.28 115.95 127.29 1aaf h TRP 37 Ca -0.28 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 1aaf h TRP 37 Cb 1.13 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.29 1aaf h TRP 37 CO 0.73 0.76 -0.06 -0.22 -1.28 0.00 0.00 178.44 178.37 1aaf h LYS 38 N 0.00 0.00 0.00 0.12 3.11 -1.93 -3.26 116.57 114.61 1aaf h LYS 38 Ca -0.11 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.49 1aaf h LYS 38 Cb 1.68 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.87 1aaf h LYS 38 CO 0.08 0.06 -1.81 0.00 -2.81 0.00 0.00 179.45 174.97 1aaf n GLY 40 N 2.19 1.06 3.67 0.00 0.00 -0.20 -5.13 105.19 106.78 1aaf n GLY 40 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.37 -0.22 1.61 3.01 -0.71 -4.73 119.74 119.08 1aaf s LYS 41 Ca 0.00 0.56 0.13 0.00 -1.01 0.00 0.00 55.97 55.65 1aaf s LYS 41 Cb 0.00 -1.73 0.45 0.00 -1.01 0.00 0.00 37.83 35.54 1aaf s LYS 41 CO 0.00 -2.78 1.18 0.39 0.51 0.00 0.00 175.35 174.65 1aaf n GLU 42 N -4.22 2.19 0.07 1.68 4.71 -1.26 0.31 120.64 124.12 1aaf n GLU 42 Ca 0.05 -3.50 0.03 0.00 -0.01 0.00 0.00 57.16 53.73 1aaf n GLU 42 Cb 0.57 -1.66 -0.04 0.00 -1.01 0.00 0.00 31.44 29.30 1aaf n GLU 42 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1aaf h GLY 43 N 1.72 0.00 -1.23 0.62 0.00 -1.94 -3.46 103.07 98.77 1aaf h GLY 43 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.22 1aaf h GLY 43 CO 0.34 0.00 -0.03 -2.39 0.00 0.00 0.00 176.54 174.46 1aaf n HIS 44 N -2.90 -1.62 -4.21 5.60 1.44 -1.26 -5.06 115.22 107.21 1aaf n HIS 44 Ca -0.05 -2.04 -0.18 0.00 -2.01 0.00 0.00 57.72 53.44 1aaf n HIS 44 Cb 0.75 0.60 -0.11 0.00 0.12 0.00 0.00 29.99 31.35 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 -2.56 0.94 0.41 -1.40 -0.44 -1.26 -1.33 119.66 114.02 1aaf s GLN 45 Ca 0.23 -1.14 0.09 0.00 -2.50 0.00 0.00 55.36 52.04 1aaf s GLN 45 Cb -0.02 -0.83 0.87 0.00 -1.64 0.00 0.00 33.01 31.40 1aaf s GLN 45 CO 0.17 0.16 2.01 1.98 0.50 0.00 0.00 175.29 180.11 1aaf h MET 46 N 3.76 0.35 0.00 1.67 4.05 -1.92 0.29 114.93 123.13 1aaf h MET 46 Ca -0.40 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1aaf h MET 46 Cb 1.19 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1aaf h MET 46 CO 0.48 0.33 0.00 -0.22 0.23 0.00 0.00 176.91 177.72 1aaf h LYS 47 N 0.35 0.00 0.00 0.39 1.63 -1.98 0.34 116.57 117.30 1aaf h LYS 47 Ca 0.09 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.80 1aaf h LYS 47 Cb 0.13 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1aaf h LYS 47 CO -0.00 0.00 -1.51 -3.47 -3.45 0.00 0.00 179.45 171.02 1aaf n ASP 48 N -2.30 2.93 -4.58 4.20 2.03 0.06 -4.97 116.55 113.91 1aaf n ASP 48 Ca -0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 1aaf n ASP 48 Cb 0.06 1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.43 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 7.36 1.50 0.00 0.00 -2.24 -1.26 -4.94 114.28 114.70 1aaf n THR 50 Ca 0.22 -2.41 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 1aaf n THR 50 Cb 0.48 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1aaf n THR 50 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1aaf n GLU 51 N -0.68 0.00 -3.64 -0.78 2.13 -1.26 -4.41 120.64 112.00 1aaf n GLU 51 Ca 0.14 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.92 1aaf n GLU 51 Cb 0.81 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.46 1aaf n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1aaf s ARG 52 N 0.00 0.20 0.00 5.31 1.70 -1.26 -5.06 118.95 119.84 1aaf s ARG 52 Ca 0.00 0.15 0.03 0.00 -0.47 0.00 0.00 55.73 55.44 1aaf s ARG 52 Cb 0.00 0.10 0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1aaf s ARG 52 CO 0.00 -0.04 0.82 0.00 -1.08 0.00 0.00 175.30 175.00 1aaf n GLN 53 N 1.27 0.00 0.00 3.89 10.64 -1.26 -5.15 117.38 126.77 1aaf n GLN 53 Ca -0.08 -0.71 0.00 0.00 -1.83 0.00 0.00 57.00 54.38 1aaf n GLN 53 Cb 0.57 0.10 0.00 0.00 -0.86 0.00 0.00 30.24 30.06 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 0.06 0.00 0.74 2.61 0.00 -1.26 -5.24 120.51 117.41 1aaf n ALA 54 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1aaf n ALA 54 Cb 0.67 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.47 1aaf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79