#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yto s SER 2 N 0.00 4.08 -0.29 1.61 0.15 -1.26 -4.93 113.70 113.06 2yto s SER 2 Ca 0.00 -2.67 0.15 0.00 0.70 0.00 0.00 55.95 54.13 2yto s SER 2 Cb 0.00 -1.35 0.48 0.00 -1.71 0.00 0.00 66.02 63.44 2yto s SER 2 CO 0.00 -0.27 1.12 -1.54 1.20 0.00 0.00 173.24 173.75 2yto n SER 3 N 3.53 3.14 0.00 5.45 3.41 -1.26 -4.95 113.62 122.94 2yto n SER 3 Ca 0.06 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2yto n SER 3 Cb 0.35 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2yto n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yto n GLY 4 N -0.58 -1.18 3.95 5.00 0.00 -1.26 -5.17 105.19 105.95 2yto n GLY 4 Ca 0.24 0.78 -0.23 0.00 0.00 0.00 0.00 46.02 46.82 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 6.21 -0.45 1.61 0.15 -1.26 -5.05 113.70 114.91 2yto s SER 5 Ca 0.00 0.27 -0.24 0.00 0.70 0.00 0.00 55.95 56.68 2yto s SER 5 Cb 0.00 -1.85 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 2yto s SER 5 CO 0.00 -0.31 0.87 -0.55 1.20 0.00 0.00 173.24 174.45 2yto s SER 6 N -4.06 6.48 0.00 5.45 0.15 -1.26 -4.90 113.70 115.56 2yto s SER 6 Ca 0.40 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2yto s SER 6 Cb -0.09 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2yto s SER 6 CO 0.34 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2yto n GLY 7 N 4.91 1.01 3.86 9.45 0.00 -1.26 -5.05 105.19 118.10 2yto n GLY 7 Ca 0.05 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 2yto n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yto n THR 8 N 1.04 -3.70 -3.69 2.61 -1.04 -1.26 -4.97 114.28 103.27 2yto n THR 8 Ca 0.00 -0.54 -0.11 0.00 -2.04 0.00 0.00 64.05 61.36 2yto n THR 8 Cb 0.00 -3.11 -0.09 0.00 -1.82 0.00 0.00 70.33 65.30 2yto n THR 8 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2yto s GLY 9 N -4.30 -0.40 -0.20 3.41 0.00 -1.26 -5.04 107.32 99.54 2yto s GLY 9 Ca 0.04 1.61 0.11 0.00 0.00 0.00 0.00 44.72 46.48 2yto s GLY 9 CO 0.86 1.56 -0.03 1.18 0.00 0.00 0.00 173.10 176.67 2yto n GLU 10 N 3.56 0.88 -3.64 2.90 1.02 -1.26 -4.72 120.64 119.37 2yto n GLU 10 Ca -0.18 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.68 2yto n GLU 10 Cb 0.56 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 2yto n GLU 10 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2yto n LYS 11 N -2.85 2.51 0.20 3.49 5.02 -1.26 -4.73 118.16 120.53 2yto n LYS 11 Ca -0.34 -4.53 0.14 0.00 -2.02 0.00 0.00 58.31 51.57 2yto n LYS 11 Cb 1.03 -2.35 0.59 0.00 -0.02 0.00 0.00 35.03 34.28 2yto n LYS 11 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2yto h PRO 12 N 5.42 0.00 -5.02 1.97 0.13 -1.85 -3.42 132.00 129.23 2yto h PRO 12 Ca 0.17 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.65 2yto h PRO 12 Cb 0.75 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.72 2yto h PRO 12 CO 0.85 0.00 -0.31 0.71 -0.23 0.00 0.00 178.00 179.02 2yto s TYR 13 N -3.48 3.23 -0.01 1.56 2.02 -1.26 -5.04 117.35 114.36 2yto s TYR 13 Ca 0.03 0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.89 2yto s TYR 13 Cb 0.09 -2.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 2yto s TYR 13 CO 0.45 -0.30 0.02 0.21 -1.57 0.00 0.00 175.55 174.36 2yto s LYS 14 N 1.99 -0.00 -0.36 -0.62 2.20 -1.26 -0.88 119.74 120.81 2yto s LYS 14 Ca 0.12 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2yto s LYS 14 Cb -0.16 -0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2yto s LYS 14 CO 0.11 -0.06 1.23 0.00 -0.36 0.00 0.00 175.35 176.27 2yto n SER 16 N 7.66 5.64 0.00 0.00 3.41 -1.26 -2.79 113.62 126.27 2yto n SER 16 Ca 0.14 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 2yto n SER 16 Cb 0.47 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2yto n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yto n ASP 17 N 1.52 0.81 -0.02 4.04 9.92 -1.26 -4.98 116.55 126.58 2yto n ASP 17 Ca 0.23 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.44 2yto n ASP 17 Cb 0.64 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.11 2yto n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yto n GLY 19 N 2.73 0.35 3.08 0.00 0.00 -1.12 -5.11 105.19 105.12 2yto n GLY 19 Ca -0.09 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 1.81 0.02 1.61 1.02 -1.26 -4.97 119.74 117.97 2yto s LYS 20 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2yto s LYS 20 Cb 0.00 -1.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2yto s LYS 20 CO 0.00 0.12 0.03 0.00 -0.92 0.00 0.00 175.35 174.58 2yto s ALA 21 N 0.40 3.39 0.31 5.17 0.00 -1.26 -1.10 121.76 128.68 2yto s ALA 21 Ca -0.11 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2yto s ALA 21 Cb -0.14 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2yto s ALA 21 CO 0.04 0.67 0.15 -0.06 0.00 0.00 0.00 175.76 176.56 2yto s PHE 22 N -1.17 1.63 -0.04 0.00 0.40 -0.06 -5.00 117.98 113.74 2yto s PHE 22 Ca 0.22 -1.34 0.06 0.00 -0.60 0.00 0.00 56.93 55.27 2yto s PHE 22 Cb -0.12 -0.91 0.09 0.00 0.51 0.00 0.00 43.02 42.60 2yto s PHE 22 CO 0.13 -0.47 0.97 2.41 0.70 0.00 0.00 175.22 178.96 2yto n THR 23 N -0.61 1.00 -3.76 0.64 -1.04 -1.26 -4.02 114.28 105.23 2yto n THR 23 Ca 0.00 -1.12 -0.14 0.00 -2.04 0.00 0.00 64.05 60.75 2yto n THR 23 Cb 0.65 0.35 -0.15 0.00 -1.82 0.00 0.00 70.33 69.36 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 -1.31 0.04 0.28 -2.82 0.52 -1.26 -5.04 118.95 109.36 2yto s ARG 24 Ca 0.10 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2yto s ARG 24 Cb 0.09 -0.20 0.66 0.00 0.52 0.00 0.00 34.95 36.01 2yto s ARG 24 CO 0.01 -0.16 1.66 0.87 0.02 0.00 0.00 175.30 177.70 2yto h LYS 25 N 7.23 0.24 -0.02 3.54 1.79 -2.01 -0.66 116.57 126.68 2yto h LYS 25 Ca -0.44 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2yto h LYS 25 Cb 1.13 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2yto h LYS 25 CO 0.45 0.16 -0.01 0.66 -1.08 0.00 0.00 179.45 179.63 2yto h SER 26 N 0.24 0.04 -1.00 0.86 4.64 -1.97 -1.00 113.55 115.36 2yto h SER 26 Ca 0.52 -0.42 0.41 0.00 -0.47 0.00 0.00 61.79 61.84 2yto h SER 26 Cb 1.02 -0.01 -0.18 0.00 -0.31 0.00 0.00 62.40 62.92 2yto h SER 26 CO -0.61 0.45 0.53 1.23 -0.87 0.00 0.00 176.83 177.56 2yto h GLY 27 N -0.37 2.25 0.00 -0.77 0.00 -1.53 0.18 103.07 102.83 2yto h GLY 27 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 2yto h GLY 27 CO 0.00 -0.78 -0.81 -2.00 0.00 0.00 0.00 176.54 172.95 2yto h LEU 28 N 0.02 0.00 -0.87 3.11 5.85 -1.44 -3.29 115.31 118.70 2yto h LEU 28 Ca 0.84 -0.53 0.22 0.00 0.84 0.00 0.00 57.88 59.26 2yto h LEU 28 Cb 2.20 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.08 2yto h LEU 28 CO -0.76 1.23 0.10 0.45 -0.34 0.00 0.00 178.44 179.13 2yto h HIS 29 N -1.00 0.11 -0.18 1.25 3.86 0.14 0.28 115.15 119.60 2yto h HIS 29 Ca -0.21 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2yto h HIS 29 Cb 1.06 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 2yto h HIS 29 CO 0.09 -0.28 0.11 0.82 0.86 0.00 0.00 177.93 179.53 2yto h ILE 30 N 0.12 1.08 0.52 2.45 2.04 -0.87 -3.08 117.51 119.77 2yto h ILE 30 Ca 0.52 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 66.15 2yto h ILE 30 Cb 1.02 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2yto h ILE 30 CO -0.73 0.08 -0.25 -0.74 0.00 0.00 0.00 178.15 176.51 2yto h HIS 31 N 0.21 -0.64 -1.52 1.37 2.76 -0.76 -2.39 115.15 114.18 2yto h HIS 31 Ca 0.06 -0.02 0.44 0.00 -2.20 0.00 0.00 60.37 58.66 2yto h HIS 31 Cb 0.03 0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.14 2yto h HIS 31 CO -0.05 -0.37 1.30 1.96 -1.30 0.00 0.00 177.93 179.47 2yto h GLN 32 N -0.76 0.00 -1.94 5.26 4.20 -0.58 0.17 115.11 121.46 2yto h GLN 32 Ca -0.07 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2yto h GLN 32 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2yto h GLN 32 CO 0.12 0.00 -0.01 1.04 -0.67 0.00 0.00 178.83 179.31 2yto n GLN 33 N -3.64 1.32 0.00 1.46 1.13 -0.90 -3.51 117.38 113.23 2yto n GLN 33 Ca 0.34 -0.44 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2yto n GLN 33 Cb 1.76 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 30.82 2yto n GLN 33 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2yto n SER 34 N 1.53 1.54 0.08 1.08 7.64 0.59 -4.84 113.62 121.24 2yto n SER 34 Ca 0.13 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.81 2yto n SER 34 Cb 0.59 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 2yto n SER 34 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2yto h HIS 35 N 0.00 0.92 -0.35 1.43 3.86 -1.76 -3.44 115.15 115.82 2yto h HIS 35 Ca 0.00 -0.57 -0.61 0.00 -1.16 0.00 0.00 60.37 58.04 2yto h HIS 35 Cb 0.53 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 2yto h HIS 35 CO 0.00 1.41 1.55 2.41 0.86 0.00 0.00 177.93 184.16 2yto n THR 36 N -3.77 0.02 0.00 2.45 -1.04 -1.25 -4.58 114.28 106.11 2yto n THR 36 Ca -0.12 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2yto n THR 36 Cb 0.96 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 6.77 1.97 3.16 3.41 0.00 -1.26 -5.07 105.19 114.16 2yto n GLY 37 Ca 0.55 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 2yto n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yto s GLU 38 N -0.04 0.39 0.07 1.61 2.02 -1.26 -5.13 118.70 116.37 2yto s GLU 38 Ca 0.00 0.89 -0.31 0.00 0.02 0.00 0.00 54.97 55.57 2yto s GLU 38 Cb 0.00 0.12 -0.17 0.00 0.10 0.00 0.00 34.13 34.19 2yto s GLU 38 CO 0.00 -0.44 0.74 0.54 0.02 0.00 0.00 175.26 176.12 2yto n ARG 39 N 5.39 0.00 -1.70 1.61 1.74 -1.26 -4.65 116.66 117.79 2yto n ARG 39 Ca -0.06 0.00 -0.57 0.00 -0.77 0.00 0.00 57.85 56.45 2yto n ARG 39 Cb 0.50 -1.14 -0.07 0.00 -1.02 0.00 0.00 32.46 30.73 2yto n ARG 39 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2yto n HIS 40 N 0.77 2.03 -0.04 -1.55 -0.00 -1.26 -4.86 115.22 110.31 2yto n HIS 40 Ca 0.17 0.52 -0.21 0.00 -0.00 0.00 0.00 57.72 58.19 2yto n HIS 40 Cb 0.13 -2.46 -0.13 0.00 -0.00 0.00 0.00 29.99 27.53 2yto n HIS 40 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2yto h SER 41 N 7.13 0.24 -1.43 0.26 0.87 -2.07 -3.50 113.55 115.05 2yto h SER 41 Ca -0.47 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 2yto h SER 41 Cb 1.32 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2yto h SER 41 CO 0.95 1.61 0.00 0.61 -0.53 0.00 0.00 176.83 179.47 2yto n GLY 42 N 1.69 0.23 3.55 5.77 0.00 -1.26 -4.97 105.19 110.21 2yto n GLY 42 Ca -0.29 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2yto n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yto s PRO 43 N -2.16 2.59 -0.13 1.61 0.04 -1.26 -4.82 135.00 130.87 2yto s PRO 43 Ca 0.00 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.08 2yto s PRO 43 Cb 0.00 -4.70 -0.13 0.00 0.04 0.00 0.00 34.50 29.70 2yto s PRO 43 CO 0.00 -3.04 0.36 1.03 0.04 0.00 0.00 177.00 175.39 2yto h SER 44 N 13.25 0.00 -3.44 6.66 0.87 -2.07 -3.45 113.55 125.38 2yto h SER 44 Ca -0.09 -0.49 -0.66 0.00 -1.23 0.00 0.00 61.79 59.32 2yto h SER 44 Cb 1.09 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.85 2yto h SER 44 CO 1.21 0.80 -0.68 -0.44 -0.53 0.00 0.00 176.83 177.19 2yto s SER 45 N -5.94 4.74 0.00 6.23 0.01 -1.26 -5.35 113.70 112.13 2yto s SER 45 Ca -0.11 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2yto s SER 45 Cb -0.01 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2yto s SER 45 CO 0.36 0.26 0.46 0.61 0.41 0.00 0.00 173.24 175.34