#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 -3.07 0.03 1.13 -1.26 -4.64 117.38 109.57 1aaf n GLN 2 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1aaf n GLN 2 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1aaf n GLN 2 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1aaf s ARG 3 N 0.00 4.15 0.00 -1.09 3.00 -1.26 -4.78 118.95 118.97 1aaf s ARG 3 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 55.73 56.37 1aaf s ARG 3 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 34.95 31.32 1aaf s ARG 3 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.30 175.32 1aaf n GLY 4 N 4.00 -1.92 3.70 -3.53 0.00 -1.26 -5.10 105.19 101.09 1aaf n GLY 4 Ca 0.00 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 1aaf n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aaf s ASN 5 N 2.00 6.70 0.00 1.61 0.01 -1.26 -4.94 114.94 119.06 1aaf s ASN 5 Ca 0.00 2.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 1aaf s ASN 5 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1aaf s ASN 5 CO 0.00 -0.79 0.00 0.33 -1.51 0.00 0.00 177.10 175.13 1aaf n PHE 6 N 4.91 0.00 -3.65 2.20 7.35 -1.26 -5.14 117.46 121.87 1aaf n PHE 6 Ca 0.14 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.81 1aaf n PHE 6 Cb 0.41 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.17 1aaf n PHE 6 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1aaf s ARG 7 N -1.22 0.03 -0.30 -4.13 1.70 -1.26 -5.16 118.95 108.61 1aaf s ARG 7 Ca 0.00 0.04 -0.15 0.00 -0.47 0.00 0.00 55.73 55.14 1aaf s ARG 7 Cb 0.00 0.01 0.17 0.00 -0.57 0.00 0.00 34.95 34.56 1aaf s ARG 7 CO 0.00 -0.00 1.02 -0.80 -1.08 0.00 0.00 175.30 174.44 1aaf s ASN 8 N 0.16 -0.52 0.40 -2.89 0.02 -1.26 -5.13 114.94 105.72 1aaf s ASN 8 Ca 0.05 0.72 0.00 0.00 -1.02 0.00 0.00 52.86 52.61 1aaf s ASN 8 Cb -0.05 1.57 0.00 0.00 0.02 0.00 0.00 41.25 42.80 1aaf s ASN 8 CO -0.15 -0.10 0.00 0.00 0.02 0.00 0.00 177.10 176.87 1aaf n GLN 9 N 4.86 -2.21 -0.77 -0.60 3.00 -1.26 -4.99 117.38 115.42 1aaf n GLN 9 Ca -0.09 1.80 -0.04 0.00 -0.01 0.00 0.00 57.00 58.66 1aaf n GLN 9 Cb 0.53 -2.51 -0.04 0.00 0.00 0.00 0.00 30.24 28.23 1aaf n GLN 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1aaf n ARG 10 N -3.30 0.00 0.00 -1.09 0.00 -1.26 -5.04 116.66 105.98 1aaf n ARG 10 Ca -0.05 -0.54 -0.00 0.00 -0.00 0.00 0.00 57.85 57.26 1aaf n ARG 10 Cb 0.42 0.49 -0.00 0.00 -0.00 0.00 0.00 32.46 33.37 1aaf n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1aaf n LYS 11 N 0.00 0.01 -2.57 2.89 4.81 -1.26 -5.06 118.16 116.98 1aaf n LYS 11 Ca -0.15 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.02 1aaf n LYS 11 Cb 0.49 -0.17 0.01 0.00 0.02 0.00 0.00 35.03 35.39 1aaf n LYS 11 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1aaf s ILE 12 N -1.05 4.42 -1.21 3.15 1.09 -1.26 -4.98 121.20 121.35 1aaf s ILE 12 Ca -0.00 0.10 -0.08 0.00 -1.10 0.00 0.00 60.65 59.56 1aaf s ILE 12 Cb 0.00 -3.70 0.22 0.00 -1.06 0.00 0.00 42.46 37.92 1aaf s ILE 12 CO 0.00 -0.69 1.72 2.30 -0.10 0.00 0.00 174.94 178.18 1aaf n ILE 13 N -2.37 4.68 -0.52 2.92 -5.35 -1.26 -4.97 119.36 112.50 1aaf n ILE 13 Ca 0.02 -4.94 -0.29 0.00 -0.27 0.00 0.00 62.75 57.27 1aaf n ILE 13 Cb 0.56 -2.27 0.27 0.00 -1.74 0.00 0.00 39.64 36.46 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 -0.67 -1.66 -0.25 6.28 0.00 -1.26 -4.40 119.74 117.78 1aaf s LYS 14 Ca 0.37 0.54 -0.17 0.00 0.00 0.00 0.00 55.97 56.71 1aaf s LYS 14 Cb 0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 37.83 36.38 1aaf s LYS 14 CO 0.04 -4.14 0.47 0.00 0.00 0.00 0.00 175.35 171.71 1aaf h PHE 16 N 7.88 0.00 0.00 0.00 0.04 -1.89 -0.80 116.94 122.16 1aaf h PHE 16 Ca -0.31 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.21 1aaf h PHE 16 Cb 1.15 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 1aaf h PHE 16 CO 0.74 0.00 -1.43 -1.71 -0.60 0.00 0.00 178.31 175.31 1aaf n ASN 17 N -3.00 1.88 -0.02 2.17 5.15 -1.26 -4.39 115.26 115.79 1aaf n ASN 17 Ca 0.01 0.43 -0.10 0.00 -0.60 0.00 0.00 54.58 54.31 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 1.62 2.28 3.69 0.00 0.00 -0.31 -4.99 105.19 107.48 1aaf n GLY 19 Ca -0.19 0.00 -0.31 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 -0.26 1.19 -0.48 1.61 -0.14 -1.24 -4.65 119.74 115.77 1aaf s LYS 20 Ca 0.00 1.54 -0.01 0.00 -1.36 0.00 0.00 55.97 56.13 1aaf s LYS 20 Cb 0.00 -1.75 0.13 0.00 -1.68 0.00 0.00 37.83 34.53 1aaf s LYS 20 CO 0.00 -2.50 0.27 -1.83 -0.76 0.00 0.00 175.35 170.53 1aaf s GLU 21 N -4.62 2.11 0.00 1.68 4.04 -1.26 -1.47 118.70 119.18 1aaf s GLU 21 Ca 0.67 -2.14 0.00 0.00 0.04 0.00 0.00 54.97 53.53 1aaf s GLU 21 Cb -0.23 -3.56 0.00 0.00 0.02 0.00 0.00 34.13 30.37 1aaf s GLU 21 CO 0.57 -1.09 0.00 0.41 -1.84 0.00 0.00 175.26 173.31 1aaf n GLY 22 N 4.03 -1.99 2.86 -3.83 0.00 -1.26 -5.02 105.19 99.97 1aaf n GLY 22 Ca 0.03 0.65 -0.19 0.00 0.00 0.00 0.00 46.02 46.51 1aaf n GLY 22 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aaf n HIS 23 N 0.00 -0.99 -4.27 1.61 1.44 -1.26 -4.98 115.22 106.77 1aaf n HIS 23 Ca 0.00 -1.73 -0.26 0.00 -2.01 0.00 0.00 57.72 53.73 1aaf n HIS 23 Cb 0.00 -0.34 -0.08 0.00 0.12 0.00 0.00 29.99 29.68 1aaf n HIS 23 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1aaf s ILE 24 N -2.00 2.25 -0.25 0.61 -4.36 -1.26 -2.53 121.20 113.66 1aaf s ILE 24 Ca 0.26 -1.79 0.21 0.00 -0.26 0.00 0.00 60.65 59.07 1aaf s ILE 24 Cb -0.02 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.74 1aaf s ILE 24 CO 0.16 -0.01 1.12 0.00 0.24 0.00 0.00 174.94 176.45 1aaf h ALA 25 N 1.54 0.62 -0.01 2.27 0.00 -1.87 -2.02 119.26 119.79 1aaf h ALA 25 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.32 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 0.73 0.18 0.01 -0.22 0.00 0.00 0.00 179.25 179.95 1aaf h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.98 -2.05 116.57 115.65 1aaf h LYS 26 Ca -0.03 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 1aaf h LYS 26 Cb 1.12 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.28 1aaf h LYS 26 CO 0.01 0.00 -0.58 -1.71 -2.81 0.00 0.00 179.45 174.36 1aaf n ASN 27 N -3.48 1.59 -4.25 4.20 2.85 -0.76 -5.00 115.26 110.40 1aaf n ASN 27 Ca -0.03 -3.52 -0.43 0.00 -0.11 0.00 0.00 54.58 50.49 1aaf n ASN 27 Cb 0.09 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.57 1aaf n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aaf n ARG 29 N 4.69 4.73 -2.00 0.00 5.12 -1.26 -5.03 116.66 122.91 1aaf n ARG 29 Ca -0.04 -4.30 -0.41 0.00 -1.93 0.00 0.00 57.85 51.17 1aaf n ARG 29 Cb 0.41 -2.57 -0.02 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 s ALA 30 N -2.68 3.55 1.01 7.54 0.00 -1.26 -4.95 121.76 124.98 1aaf s ALA 30 Ca 0.38 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1aaf s ALA 30 Cb 0.12 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1aaf s ALA 30 CO -0.02 -0.78 0.04 -0.35 0.00 0.00 0.00 175.76 174.65 1aaf n PRO 31 N 1.07 -1.63 -2.56 0.00 -0.04 -1.26 -4.70 135.00 125.87 1aaf n PRO 31 Ca 0.02 -0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.41 1aaf n PRO 31 Cb 0.41 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1aaf n PRO 31 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1aaf n ARG 32 N -1.90 -1.11 -2.66 0.54 3.00 -1.26 -5.04 116.66 108.23 1aaf n ARG 32 Ca 0.01 1.31 -0.03 0.00 -0.00 0.00 0.00 57.85 59.13 1aaf n ARG 32 Cb 0.02 -4.49 0.04 0.00 0.00 0.00 0.00 32.46 28.03 1aaf n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1aaf n LYS 33 N -1.25 0.05 -3.64 -0.14 4.76 -1.26 -5.17 118.16 111.50 1aaf n LYS 33 Ca 0.02 -0.63 -0.05 0.00 -2.87 0.00 0.00 58.31 54.78 1aaf n LYS 33 Cb 0.46 0.32 -0.06 0.00 -1.84 0.00 0.00 35.03 33.90 1aaf n LYS 33 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1aaf s ARG 34 N 0.96 0.21 0.00 1.97 1.70 -1.26 -5.17 118.95 117.36 1aaf s ARG 34 Ca 0.23 0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1aaf s ARG 34 Cb 0.15 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 1aaf s ARG 34 CO -0.11 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 1aaf n GLY 35 N 1.42 3.27 3.39 3.88 0.00 -1.26 -5.01 105.19 110.88 1aaf n GLY 35 Ca -0.09 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 5.03 1.57 0.00 0.00 2.14 -1.26 -1.73 117.44 123.20 1aaf n TRP 37 Ca -0.12 -0.55 0.00 0.00 2.07 0.00 0.00 57.50 58.91 1aaf n TRP 37 Cb 0.46 -0.41 0.00 0.00 -0.81 0.00 0.00 31.31 30.55 1aaf n TRP 37 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1aaf n LYS 38 N 0.50 0.00 -0.02 -2.67 3.00 -1.26 -4.73 118.16 112.97 1aaf n LYS 38 Ca 0.21 0.18 -0.17 0.00 -0.00 0.00 0.00 58.31 58.54 1aaf n LYS 38 Cb 0.96 -0.66 -0.08 0.00 0.00 0.00 0.00 35.03 35.25 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 0.75 1.90 3.60 0.00 0.00 -0.70 -5.12 105.19 105.62 1aaf n GLY 40 Ca -0.08 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 0.54 0.00 0.00 0.00 173.32 173.86 1aaf s LYS 41 N -0.52 1.94 -0.39 1.61 1.02 -1.19 -4.99 119.74 117.22 1aaf s LYS 41 Ca 0.00 -2.14 0.03 0.00 0.02 0.00 0.00 55.97 53.88 1aaf s LYS 41 Cb 0.00 -1.34 0.11 0.00 -0.52 0.00 0.00 37.83 36.08 1aaf s LYS 41 CO 0.00 -0.19 0.14 -1.83 -0.92 0.00 0.00 175.35 172.54 1aaf s GLU 42 N -3.79 1.40 0.00 1.68 4.04 -1.26 -1.67 118.70 119.09 1aaf s GLU 42 Ca 0.28 -1.90 0.00 0.00 0.04 0.00 0.00 54.97 53.39 1aaf s GLU 42 Cb 0.07 -2.84 0.00 0.00 0.02 0.00 0.00 34.13 31.38 1aaf s GLU 42 CO 0.14 -1.02 0.00 0.41 -1.84 0.00 0.00 175.26 172.94 1aaf n GLY 43 N 4.01 0.00 0.00 -3.83 0.00 -1.26 -5.01 105.19 99.10 1aaf n GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.49 1.61 1.44 -1.26 -5.07 115.22 107.45 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 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.98 1.87 0.29 -1.40 2.00 -1.26 -3.55 119.66 115.63 1aaf s GLN 45 Ca 0.00 -2.12 -0.02 0.00 -2.00 0.00 0.00 55.36 51.22 1aaf s GLN 45 Cb 0.00 -0.61 0.42 0.00 0.80 0.00 0.00 33.01 33.62 1aaf s GLN 45 CO 0.00 -0.44 1.90 1.98 -0.50 0.00 0.00 175.29 178.23 1aaf h MET 46 N 1.86 0.96 0.00 1.67 4.05 -1.95 0.41 114.93 121.93 1aaf h MET 46 Ca -0.36 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1aaf h MET 46 Cb 1.27 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1aaf h MET 46 CO 0.58 0.73 -0.00 -0.22 0.23 0.00 0.00 176.91 178.23 1aaf h LYS 47 N 0.96 0.00 0.00 0.39 3.11 -2.05 0.42 116.57 119.40 1aaf h LYS 47 Ca 0.24 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.88 1aaf h LYS 47 Cb 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 1aaf h LYS 47 CO -0.03 0.00 -2.11 -3.47 -2.81 0.00 0.00 179.45 171.03 1aaf n ASP 48 N -3.09 0.48 -4.64 4.20 2.03 -0.55 -4.96 116.55 110.03 1aaf n ASP 48 Ca -0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 1aaf n ASP 48 Cb 0.12 1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 41.84 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 6.08 0.89 0.00 0.00 -2.24 -1.26 -4.93 114.28 112.81 1aaf n THR 50 Ca 0.20 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1aaf n THR 50 Cb 0.43 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1aaf n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1aaf n GLU 51 N -0.52 0.00 -3.86 -0.78 1.02 -1.26 -4.47 120.64 110.77 1aaf n GLU 51 Ca 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1aaf n GLU 51 Cb 0.75 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.11 1aaf n GLU 51 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1aaf s ARG 52 N 0.00 1.14 0.27 3.49 3.52 -1.26 -5.19 118.95 120.93 1aaf s ARG 52 Ca 0.00 -1.02 0.03 0.00 -0.13 0.00 0.00 55.73 54.62 1aaf s ARG 52 Cb 0.00 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1aaf s ARG 52 CO 0.00 -0.43 0.12 0.00 -0.81 0.00 0.00 175.30 174.17 1aaf n GLN 53 N -0.22 0.62 -0.80 5.12 10.64 -1.26 -5.13 117.38 126.36 1aaf n GLN 53 Ca -0.10 -2.36 0.11 0.00 -1.83 0.00 0.00 57.00 52.82 1aaf n GLN 53 Cb 0.63 1.39 -0.03 0.00 -0.86 0.00 0.00 30.24 31.37 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 -1.63 -2.06 1.51 2.61 0.00 -1.26 -5.26 120.51 114.43 1aaf n ALA 54 Ca -0.10 0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1aaf n ALA 54 Cb 0.42 -0.71 0.54 0.00 0.00 0.00 0.00 19.45 19.70 1aaf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59