#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto n SER 2 N 0.00 -5.22 -4.03 1.61 2.88 -1.26 -5.01 113.62 102.59 2yto n SER 2 Ca 0.00 -0.51 -0.14 0.00 -1.33 0.00 0.00 58.87 56.89 2yto n SER 2 Cb 0.00 -4.69 -0.12 0.00 -0.75 0.00 0.00 64.21 58.64 2yto n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yto s SER 3 N -3.49 0.77 0.00 -3.46 0.15 -1.26 -5.06 113.70 101.35 2yto s SER 3 Ca 0.43 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2yto s SER 3 Cb -0.19 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2yto s SER 3 CO 0.67 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2yto n GLY 4 N 1.90 -1.64 3.50 9.45 0.00 -1.26 -5.08 105.19 112.05 2yto n GLY 4 Ca -0.20 0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.97 2yto n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yto s SER 5 N 0.00 6.99 0.33 1.61 0.15 -1.26 -4.92 113.70 116.59 2yto s SER 5 Ca 0.00 -2.79 0.01 0.00 0.70 0.00 0.00 55.95 53.87 2yto s SER 5 Cb 0.00 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2yto s SER 5 CO 0.00 -0.89 0.38 -0.44 1.20 0.00 0.00 173.24 173.49 2yto s SER 6 N 3.28 1.14 0.00 5.45 0.01 -1.26 -5.18 113.70 117.13 2yto s SER 6 Ca 0.46 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2yto s SER 6 Cb -0.01 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2yto s SER 6 CO 0.02 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.10 2yto n GLY 7 N -0.57 0.32 4.24 3.44 0.00 -1.26 -5.00 105.19 106.36 2yto n GLY 7 Ca 0.03 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 2yto n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yto n THR 8 N -0.08 -1.30 0.00 2.61 -2.24 -1.26 -4.64 114.28 107.37 2yto n THR 8 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2yto n THR 8 Cb 0.00 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 2yto n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yto n GLY 9 N -1.68 0.00 3.60 3.38 0.00 -1.26 -5.17 105.19 104.06 2yto n GLY 9 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2yto n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yto s GLU 10 N 0.00 1.92 0.44 1.61 0.41 -1.26 -5.12 118.70 116.70 2yto s GLU 10 Ca 0.00 -2.09 -0.25 0.00 -0.41 0.00 0.00 54.97 52.22 2yto s GLU 10 Cb 0.00 -1.49 -0.08 0.00 -1.78 0.00 0.00 34.13 30.78 2yto s GLU 10 CO 0.00 -0.09 1.27 0.15 -0.49 0.00 0.00 175.26 176.10 2yto s LYS 11 N -3.75 3.78 0.41 1.61 3.01 -1.26 -4.91 119.74 118.63 2yto s LYS 11 Ca 0.34 2.06 0.29 0.00 -1.01 0.00 0.00 55.97 57.65 2yto s LYS 11 Cb 0.09 -2.59 1.20 0.00 -1.01 0.00 0.00 37.83 35.53 2yto s LYS 11 CO 0.17 -0.62 1.86 -1.00 0.51 0.00 0.00 175.35 176.27 2yto h PRO 12 N 2.32 0.00 -4.95 -1.68 0.13 -1.89 -3.43 132.00 122.50 2yto h PRO 12 Ca -0.50 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.16 2yto h PRO 12 Cb 1.25 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.08 2yto h PRO 12 CO 0.61 0.00 -0.80 0.71 -0.23 0.00 0.00 178.00 178.29 2yto s TYR 13 N -3.51 1.20 -0.03 1.56 2.02 -1.24 -5.06 117.35 112.29 2yto s TYR 13 Ca 0.02 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.26 2yto s TYR 13 Cb 0.09 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.87 2yto s TYR 13 CO 0.46 -0.09 0.38 0.21 -1.57 0.00 0.00 175.55 174.95 2yto s LYS 14 N -0.01 0.72 -0.17 -0.62 2.20 -1.26 -1.06 119.74 119.53 2yto s LYS 14 Ca -0.00 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.32 2yto s LYS 14 Cb -0.08 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2yto s LYS 14 CO 0.01 -0.20 0.76 0.00 -0.36 0.00 0.00 175.35 175.56 2yto n SER 16 N 5.05 4.23 -0.02 0.00 2.88 -1.26 -2.95 113.62 121.54 2yto n SER 16 Ca 0.02 -2.96 -0.04 0.00 -1.33 0.00 0.00 58.87 54.56 2yto n SER 16 Cb 0.49 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 2yto n SER 16 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yto n ASP 17 N -0.06 2.07 -0.01 -3.46 8.00 -1.26 -4.93 116.55 116.89 2yto n ASP 17 Ca 0.33 0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.81 2yto n ASP 17 Cb 1.18 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 42.16 2yto n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yto n GLY 19 N 2.96 0.51 2.98 0.00 0.00 -1.15 -5.09 105.19 105.39 2yto n GLY 19 Ca -0.06 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2yto n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yto s LYS 20 N 0.00 1.10 0.03 1.61 1.02 -1.25 -4.93 119.74 117.32 2yto s LYS 20 Ca 0.00 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.63 2yto s LYS 20 Cb 0.00 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.26 2yto s LYS 20 CO 0.00 0.06 0.29 0.00 -0.92 0.00 0.00 175.35 174.78 2yto s ALA 21 N 0.45 3.83 0.13 5.17 0.00 -1.26 -0.12 121.76 129.95 2yto s ALA 21 Ca -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.37 2yto s ALA 21 Cb -0.11 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2yto s ALA 21 CO 0.01 0.64 -0.10 -0.06 0.00 0.00 0.00 175.76 176.26 2yto s PHE 22 N -1.35 1.18 -0.12 0.00 0.40 -0.23 -4.98 117.98 112.89 2yto s PHE 22 Ca 0.30 -0.74 0.17 0.00 -0.60 0.00 0.00 56.93 56.06 2yto s PHE 22 Cb -0.13 -0.62 -0.15 0.00 0.51 0.00 0.00 43.02 42.63 2yto s PHE 22 CO 0.17 0.04 0.78 2.41 0.70 0.00 0.00 175.22 179.33 2yto n THR 23 N 0.06 1.18 -4.59 0.64 -1.04 -1.26 -3.72 114.28 105.55 2yto n THR 23 Ca -0.12 -0.70 -0.27 0.00 -2.04 0.00 0.00 64.05 60.92 2yto n THR 23 Cb 0.60 -0.72 -0.11 0.00 -1.82 0.00 0.00 70.33 68.28 2yto n THR 23 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2yto s ARG 24 N -2.91 1.91 -0.05 -2.82 1.81 -1.26 -4.84 118.95 110.79 2yto s ARG 24 Ca -0.03 -2.05 -0.26 0.00 -1.72 0.00 0.00 55.73 51.66 2yto s ARG 24 Cb 0.09 -1.66 -0.21 0.00 -0.45 0.00 0.00 34.95 32.72 2yto s ARG 24 CO 0.81 0.01 1.15 -0.22 -0.68 0.00 0.00 175.30 176.38 2yto h LYS 25 N 1.85 -0.02 -0.13 3.54 1.63 -1.97 -3.33 116.57 118.15 2yto h LYS 25 Ca -0.43 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.41 2yto h LYS 25 Cb 1.24 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.81 2yto h LYS 25 CO 0.77 0.56 -0.44 0.77 -3.45 0.00 0.00 179.45 177.66 2yto h SER 26 N -0.61 -1.38 -1.14 4.20 0.02 -1.98 -0.35 113.55 112.31 2yto h SER 26 Ca -0.00 0.18 0.37 0.00 -0.84 0.00 0.00 61.79 61.50 2yto h SER 26 Cb 0.58 0.56 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 2yto h SER 26 CO 0.00 -0.44 0.77 0.61 -1.14 0.00 0.00 176.83 176.63 2yto n GLY 27 N -1.44 -0.64 0.12 -3.77 0.00 -1.25 0.17 105.19 98.38 2yto n GLY 27 Ca -0.04 0.53 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 2yto n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yto h LEU 28 N 0.00 0.36 -0.09 0.99 5.85 -1.22 -2.94 115.31 118.25 2yto h LEU 28 Ca 0.65 -0.84 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2yto h LEU 28 Cb 2.27 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 43.14 2yto h LEU 28 CO -0.23 1.61 -0.22 0.45 -0.34 0.00 0.00 178.44 179.71 2yto h HIS 29 N -0.34 -0.59 -0.55 1.25 3.86 0.24 0.21 115.15 119.25 2yto h HIS 29 Ca -0.31 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 2yto h HIS 29 Cb 1.74 0.27 -0.02 0.00 1.06 0.00 0.00 27.41 30.46 2yto h HIS 29 CO 0.12 -0.30 -0.06 0.82 0.86 0.00 0.00 177.93 179.37 2yto h ILE 30 N -0.30 1.27 -1.00 2.45 5.03 -1.30 -2.97 117.51 120.69 2yto h ILE 30 Ca 0.09 -1.21 0.02 0.00 -0.12 0.00 0.00 64.86 63.64 2yto h ILE 30 Cb 0.43 0.94 -0.05 0.00 -3.03 0.00 0.00 36.82 35.11 2yto h ILE 30 CO -0.26 0.43 0.66 -0.74 -0.68 0.00 0.00 178.15 177.55 2yto h HIS 31 N 0.88 1.25 -0.89 1.37 -0.00 -1.24 -2.20 115.15 114.32 2yto h HIS 31 Ca 0.15 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 2yto h HIS 31 Cb 0.62 -0.42 -0.07 0.00 -0.00 0.00 0.00 27.41 27.54 2yto h HIS 31 CO 0.04 0.75 0.54 1.96 -0.00 0.00 0.00 177.93 181.23 2yto h GLN 32 N 1.32 0.88 -0.99 5.26 1.08 -0.42 -1.79 115.11 120.44 2yto h GLN 32 Ca 0.38 -0.05 0.35 0.00 -1.45 0.00 0.00 58.65 57.88 2yto h GLN 32 Cb -0.08 -0.20 -0.17 0.00 -0.05 0.00 0.00 27.48 26.98 2yto h GLN 32 CO -0.10 0.58 0.43 1.96 -0.95 0.00 0.00 178.83 180.75 2yto h GLN 33 N 0.91 0.11 -0.73 1.46 1.08 -1.39 0.60 115.11 117.14 2yto h GLN 33 Ca 0.42 -0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.76 2yto h GLN 33 Cb 0.35 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.65 2yto h GLN 33 CO -0.23 0.07 0.24 1.03 -0.95 0.00 0.00 178.83 178.98 2yto h SER 34 N 0.11 0.15 -0.05 1.46 0.87 -1.45 -0.43 113.55 114.21 2yto h SER 34 Ca 0.75 0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 61.35 2yto h SER 34 Cb 1.80 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.87 2yto h SER 34 CO -0.74 0.04 -0.06 1.41 -0.53 0.00 0.00 176.83 176.95 2yto n HIS 35 N -5.08 0.13 0.04 2.24 8.25 0.21 -3.82 115.22 117.20 2yto n HIS 35 Ca 0.14 -1.20 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 2yto n HIS 35 Cb 0.43 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2yto n HIS 35 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2yto n THR 36 N 1.65 0.69 0.00 1.59 -1.04 -0.17 -4.97 114.28 112.03 2yto n THR 36 Ca 0.13 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2yto n THR 36 Cb 0.61 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2yto n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yto n GLY 37 N 3.05 -0.05 3.72 3.41 0.00 -1.25 -4.82 105.19 109.26 2yto n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2yto n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yto s GLU 38 N -0.70 4.54 -0.54 1.61 2.12 -1.26 -5.02 118.70 119.45 2yto s GLU 38 Ca 0.00 1.23 -0.02 0.00 0.36 0.00 0.00 54.97 56.54 2yto s GLU 38 Cb 0.00 -3.43 0.14 0.00 0.26 0.00 0.00 34.13 31.10 2yto s GLU 38 CO 0.00 0.07 0.33 1.03 -0.54 0.00 0.00 175.26 176.15 2yto s ARG 39 N 0.65 2.29 -1.13 4.30 0.52 -1.26 -4.68 118.95 119.63 2yto s ARG 39 Ca 0.45 -2.30 -0.12 0.00 -0.52 0.00 0.00 55.73 53.25 2yto s ARG 39 Cb -0.20 -3.62 0.23 0.00 0.52 0.00 0.00 34.95 31.87 2yto s ARG 39 CO 0.25 -1.13 1.23 -1.58 0.02 0.00 0.00 175.30 174.09 2yto s HIS 40 N 0.31 3.90 0.27 -0.53 2.46 -1.26 -4.95 115.29 115.49 2yto s HIS 40 Ca 0.14 -2.39 -0.20 0.00 0.47 0.00 0.00 55.06 53.07 2yto s HIS 40 Cb -0.22 -4.05 0.05 0.00 -0.13 0.00 0.00 32.58 28.24 2yto s HIS 40 CO -0.03 -1.15 0.87 0.45 -2.47 0.00 0.00 174.74 172.40 2yto s SER 41 N 2.05 -0.09 -0.12 9.88 0.15 -1.26 -5.08 113.70 119.22 2yto s SER 41 Ca 0.35 -0.76 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 2yto s SER 41 Cb -0.07 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2yto s SER 41 CO -0.05 -1.29 0.13 0.61 1.20 0.00 0.00 173.24 173.84 2yto n GLY 42 N -0.54 -1.62 2.89 9.45 0.00 -1.26 -5.06 105.19 109.05 2yto n GLY 42 Ca -0.06 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2yto n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yto n PRO 43 N -0.24 -2.79 -3.97 1.61 -0.04 -1.26 -5.04 135.00 123.27 2yto n PRO 43 Ca 0.03 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.70 2yto n PRO 43 Cb 0.10 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 2yto n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yto s SER 44 N -3.93 4.30 -1.37 3.54 0.01 -1.26 -4.66 113.70 110.33 2yto s SER 44 Ca 0.59 -0.91 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 2yto s SER 44 Cb -0.06 -1.65 0.03 0.00 0.21 0.00 0.00 66.02 64.55 2yto s SER 44 CO 0.45 -0.13 1.03 -0.24 0.41 0.00 0.00 173.24 174.75 2yto n SER 45 N 4.65 -4.33 -0.89 2.44 2.88 -1.26 -5.35 113.62 111.75 2yto n SER 45 Ca -0.16 -0.66 0.12 0.00 -1.33 0.00 0.00 58.87 56.84 2yto n SER 45 Cb 0.47 -4.61 0.16 0.00 -0.75 0.00 0.00 64.21 59.48 2yto n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42