#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emb s SER 2 N 0.00 6.02 -0.13 1.61 0.01 -1.26 -4.96 113.70 115.00 2emb s SER 2 Ca 0.00 0.78 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 2emb s SER 2 Cb 0.00 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.76 2emb s SER 2 CO 0.00 -1.70 0.26 -0.44 0.41 0.00 0.00 173.24 171.77 2emb s SER 3 N 5.24 0.21 0.00 2.44 0.01 -1.26 -5.13 113.70 115.21 2emb s SER 3 Ca 0.66 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2emb s SER 3 Cb -0.15 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2emb s SER 3 CO 0.30 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2emb n GLY 4 N 5.10 1.85 3.84 3.44 0.00 -1.26 -5.11 105.19 113.05 2emb n GLY 4 Ca -0.10 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2emb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2emb s SER 5 N 1.00 6.65 0.00 1.61 0.15 -1.26 -5.02 113.70 116.83 2emb s SER 5 Ca 0.00 0.77 -0.24 0.00 0.70 0.00 0.00 55.95 57.18 2emb s SER 5 Cb 0.00 -2.19 -0.15 0.00 -1.71 0.00 0.00 66.02 61.97 2emb s SER 5 CO 0.00 0.33 1.10 -1.28 1.20 0.00 0.00 173.24 174.59 2emb h SER 6 N 4.98 -0.53 0.00 5.45 0.87 -2.06 -3.50 113.55 118.76 2emb h SER 6 Ca -0.52 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2emb h SER 6 Cb 1.22 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2emb h SER 6 CO 0.62 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.38 2emb n GLY 7 N -0.32 1.77 0.11 5.77 0.00 -1.26 -5.06 105.19 106.21 2emb n GLY 7 Ca -0.10 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2emb n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2emb n HIS 8 N 1.48 0.86 -4.16 1.61 -0.00 -1.26 -4.95 115.22 108.80 2emb n HIS 8 Ca 0.00 0.35 -0.37 0.00 -0.00 0.00 0.00 57.72 57.70 2emb n HIS 8 Cb 0.00 -1.09 -0.07 0.00 -0.00 0.00 0.00 29.99 28.83 2emb n HIS 8 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2emb n THR 9 N -4.30 0.00 -3.66 1.59 -2.24 -1.26 -4.87 114.28 99.54 2emb n THR 9 Ca -0.36 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.06 2emb n THR 9 Cb 0.75 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 2emb n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2emb s ARG 10 N -6.57 4.00 0.00 -0.78 1.04 -1.26 -4.96 118.95 110.43 2emb s ARG 10 Ca 0.72 0.01 0.00 0.00 -1.04 0.00 0.00 55.73 55.42 2emb s ARG 10 Cb -0.42 -3.34 0.00 0.00 -2.04 0.00 0.00 34.95 29.15 2emb s ARG 10 CO 0.88 0.44 0.63 1.63 -0.04 0.00 0.00 175.30 178.85 2emb n LYS 11 N 2.95 0.59 -4.21 3.89 4.01 -1.26 -5.05 118.16 119.08 2emb n LYS 11 Ca -0.15 -0.81 -0.12 0.00 -0.51 0.00 0.00 58.31 56.71 2emb n LYS 11 Cb 0.53 -0.92 -0.10 0.00 -0.51 0.00 0.00 35.03 34.03 2emb n LYS 11 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2emb s ARG 12 N -0.36 0.99 -0.14 1.97 1.70 -1.26 -5.05 118.95 116.80 2emb s ARG 12 Ca 0.00 -1.45 -0.05 0.00 -0.47 0.00 0.00 55.73 53.76 2emb s ARG 12 Cb 0.00 -0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.12 2emb s ARG 12 CO 0.00 -0.09 0.04 0.71 -1.08 0.00 0.00 175.30 174.88 2emb s TYR 13 N -3.66 3.23 0.07 5.89 1.51 -1.20 -5.00 117.35 118.19 2emb s TYR 13 Ca 0.19 0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.43 2emb s TYR 13 Cb 0.06 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2emb s TYR 13 CO 0.00 0.32 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.51 2emb s GLU 14 N -0.26 2.44 0.66 -0.62 2.02 -1.26 -1.83 118.70 119.86 2emb s GLU 14 Ca 0.07 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.15 2emb s GLU 14 Cb -0.12 -2.47 0.05 0.00 0.10 0.00 0.00 34.13 31.68 2emb s GLU 14 CO 0.02 0.55 0.96 0.00 0.02 0.00 0.00 175.26 176.80 2emb n SER 16 N -2.77 1.60 -0.01 0.00 7.64 -1.26 -3.67 113.62 115.15 2emb n SER 16 Ca 0.07 -0.04 -0.00 0.00 1.01 0.00 0.00 58.87 59.91 2emb n SER 16 Cb 0.60 0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 64.25 2emb n SER 16 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2emb h LYS 17 N 0.00 0.00 0.00 1.43 1.63 -2.00 -3.39 116.57 114.24 2emb h LYS 17 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2emb h LYS 17 Cb 1.87 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 2emb h LYS 17 CO -0.01 0.00 -0.22 0.00 -3.45 0.00 0.00 179.45 175.77 2emb n GLN 19 N -2.33 -6.88 -2.04 0.00 1.13 -1.24 -4.96 117.38 101.06 2emb n GLN 19 Ca 0.04 0.73 -0.18 0.00 -1.94 0.00 0.00 57.00 55.65 2emb n GLN 19 Cb 0.45 -5.71 0.10 0.00 0.11 0.00 0.00 30.24 25.19 2emb n GLN 19 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2emb n ALA 20 N -4.85 0.03 -2.40 -1.58 0.00 -1.26 -4.54 120.51 105.91 2emb n ALA 20 Ca 0.01 -1.48 -0.31 0.00 0.00 0.00 0.00 53.44 51.67 2emb n ALA 20 Cb 0.55 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 2emb n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2emb s THR 21 N -2.38 2.48 -0.02 0.00 -4.23 -1.26 -1.18 115.64 109.05 2emb s THR 21 Ca 0.51 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 2emb s THR 21 Cb -0.03 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.84 2emb s THR 21 CO 0.34 0.42 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.42 2emb s PHE 22 N -0.81 0.67 -0.01 3.99 0.40 -0.76 -5.01 117.98 116.44 2emb s PHE 22 Ca 0.12 -0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 56.06 2emb s PHE 22 Cb -0.10 -0.51 -0.19 0.00 0.51 0.00 0.00 43.02 42.73 2emb s PHE 22 CO 0.03 -0.09 1.25 -0.91 0.70 0.00 0.00 175.22 176.20 2emb h ASN 23 N 6.50 0.14 -2.83 1.36 2.35 -1.97 -3.18 115.58 117.95 2emb h ASN 23 Ca -0.33 -0.53 -0.64 0.00 -0.55 0.00 0.00 56.30 54.24 2emb h ASN 23 Cb 1.17 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.44 2emb h ASN 23 CO 0.49 0.64 -0.36 -0.76 -1.65 0.00 0.00 177.43 175.79 2emb s LEU 24 N -9.08 4.42 -0.00 1.61 1.02 -1.26 -4.86 118.68 110.52 2emb s LEU 24 Ca -0.15 0.66 -0.24 0.00 0.02 0.00 0.00 54.13 54.42 2emb s LEU 24 Cb 0.02 -2.38 -0.16 0.00 0.02 0.00 0.00 46.19 43.70 2emb s LEU 24 CO 0.71 0.35 1.14 -0.09 0.02 0.00 0.00 176.35 178.47 2emb h ARG 25 N 4.68 -0.45 -0.33 1.70 2.43 -2.01 -2.96 114.38 117.44 2emb h ARG 25 Ca -0.53 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 58.77 2emb h ARG 25 Cb 1.22 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2emb h ARG 25 CO 0.61 -0.12 0.39 1.57 -1.51 0.00 0.00 179.97 180.90 2emb h LYS 26 N -0.85 0.00 -0.47 0.20 -0.00 -2.00 0.49 116.57 113.94 2emb h LYS 26 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.51 2emb h LYS 26 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.74 2emb h LYS 26 CO 0.08 0.00 -0.06 0.45 -0.00 0.00 0.00 179.45 179.92 2emb h HIS 27 N 0.00 0.96 -0.40 0.07 3.86 -1.94 -3.04 115.15 114.67 2emb h HIS 27 Ca 0.16 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 2emb h HIS 27 Cb 0.93 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 2emb h HIS 27 CO 0.00 0.93 -0.26 1.25 0.86 0.00 0.00 177.93 180.72 2emb h LEU 28 N 0.71 0.85 -0.41 2.43 5.85 -0.86 -2.51 115.31 121.37 2emb h LEU 28 Ca 0.13 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.61 2emb h LEU 28 Cb 0.59 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 2emb h LEU 28 CO 0.04 1.06 -0.18 0.40 -0.34 0.00 0.00 178.44 179.42 2emb h ILE 29 N 0.71 0.45 -0.13 4.05 1.08 -1.37 -0.36 117.51 121.94 2emb h ILE 29 Ca 0.09 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.44 2emb h ILE 29 Cb 0.79 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 2emb h ILE 29 CO 0.07 0.00 -0.45 -0.61 -0.69 0.00 0.00 178.15 176.47 2emb h GLN 30 N -0.09 0.31 -0.98 2.37 4.15 -1.52 -3.04 115.11 116.32 2emb h GLN 30 Ca 0.20 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.51 2emb h GLN 30 Cb 0.40 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 2emb h GLN 30 CO -0.47 0.70 0.64 1.25 -1.93 0.00 0.00 178.83 179.01 2emb h HIS 31 N 0.25 1.19 -0.50 3.99 2.76 -0.65 -2.55 115.15 119.63 2emb h HIS 31 Ca 0.02 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.32 2emb h HIS 31 Cb 0.89 -0.39 -0.10 0.00 1.55 0.00 0.00 27.41 29.36 2emb h HIS 31 CO 0.02 0.65 -0.15 1.96 -1.30 0.00 0.00 177.93 179.11 2emb h GLN 32 N 1.20 -0.03 -0.74 5.26 4.20 -1.09 -1.22 115.11 122.70 2emb h GLN 32 Ca 0.40 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.32 2emb h GLN 32 Cb 0.07 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.72 2emb h GLN 32 CO -0.14 -0.02 0.01 1.63 -0.67 0.00 0.00 178.83 179.63 2emb n LYS 33 N -5.38 -0.06 -0.22 1.46 4.01 -0.96 0.17 118.16 117.19 2emb n LYS 33 Ca 0.05 1.11 0.02 0.00 -0.51 0.00 0.00 58.31 58.97 2emb n LYS 33 Cb 0.28 -1.75 0.13 0.00 -0.51 0.00 0.00 35.03 33.17 2emb n LYS 33 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2emb h THR 34 N 0.00 0.50 -0.27 -0.18 1.35 -1.36 0.32 112.91 113.28 2emb h THR 34 Ca 0.44 -0.06 -0.13 0.00 -0.55 0.00 0.00 66.41 66.12 2emb h THR 34 Cb 0.91 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 2emb h THR 34 CO -0.70 0.03 -0.36 0.45 -0.25 0.00 0.00 175.52 174.69 2emb h HIS 35 N 0.17 0.70 -3.41 4.73 3.86 0.16 -3.35 115.15 118.01 2emb h HIS 35 Ca 0.35 -0.19 -0.71 0.00 -1.16 0.00 0.00 60.37 58.66 2emb h HIS 35 Cb 0.58 -0.16 -0.35 0.00 1.06 0.00 0.00 27.41 28.54 2emb h HIS 35 CO -0.33 0.88 -0.15 0.00 0.86 0.00 0.00 177.93 179.19 2emb s ALA 36 N -4.33 4.07 -1.10 2.45 0.00 0.08 -5.01 121.76 117.93 2emb s ALA 36 Ca -0.08 -3.66 -0.22 0.00 0.00 0.00 0.00 51.96 48.00 2emb s ALA 36 Cb 0.13 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2emb s ALA 36 CO 0.82 -2.15 1.75 0.00 0.00 0.00 0.00 175.76 176.18 2emb s ALA 37 N -0.93 2.42 0.61 0.00 0.00 -1.10 -4.65 121.76 118.11 2emb s ALA 37 Ca 0.24 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2emb s ALA 37 Cb -0.11 -4.60 0.06 0.00 0.00 0.00 0.00 23.12 18.47 2emb s ALA 37 CO -0.10 -4.17 0.85 0.15 0.00 0.00 0.00 175.76 172.49 2emb s LYS 38 N 5.59 2.30 -0.02 0.00 1.02 -1.26 -5.12 119.74 122.24 2emb s LYS 38 Ca 0.59 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2emb s LYS 38 Cb -0.01 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2emb s LYS 38 CO 0.02 -0.94 0.05 -1.12 -0.92 0.00 0.00 175.35 172.43 2emb s SER 39 N -4.51 -0.04 0.00 2.83 0.01 -1.26 -5.16 113.70 105.57 2emb s SER 39 Ca 0.60 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2emb s SER 39 Cb -0.09 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2emb s SER 39 CO 0.40 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2emb n GLY 40 N 3.22 5.03 3.67 3.44 0.00 -1.26 -5.12 105.19 114.17 2emb n GLY 40 Ca -0.14 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2emb n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emb s PRO 41 N 1.08 4.21 -0.60 1.61 0.04 -1.26 -4.90 135.00 135.18 2emb s PRO 41 Ca 0.00 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2emb s PRO 41 Cb 0.00 -3.84 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 2emb s PRO 41 CO 0.00 -0.76 2.45 -1.13 0.04 0.00 0.00 177.00 177.60 2emb n SER 42 N 6.64 1.92 -0.04 6.66 3.41 -1.26 -4.69 113.62 126.26 2emb n SER 42 Ca 0.16 -0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 58.13 2emb n SER 42 Cb 0.43 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.86 2emb n SER 42 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2emb n SER 43 N 15.41 1.32 0.00 4.04 7.64 -1.26 -5.36 113.62 135.41 2emb n SER 43 Ca 0.43 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2emb n SER 43 Cb 0.46 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2emb n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64