#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 5.54 -0.32 1.61 0.15 -1.26 -5.05 113.70 114.37 2yto s SER 2 Ca 0.00 0.70 -0.17 0.00 0.70 0.00 0.00 55.95 57.18 2yto s SER 2 Cb 0.00 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 2yto s SER 2 CO 0.00 -1.10 0.45 -0.94 1.20 0.00 0.00 173.24 172.84 2yto s SER 3 N -4.32 6.28 -0.37 5.45 1.04 -1.26 -4.91 113.70 115.61 2yto s SER 3 Ca 0.54 0.05 0.04 0.00 0.48 0.00 0.00 55.95 57.06 2yto s SER 3 Cb -0.11 -2.24 0.31 0.00 0.10 0.00 0.00 66.02 64.09 2yto s SER 3 CO 0.45 -0.37 1.28 0.61 0.98 0.00 0.00 173.24 176.19 2yto n GLY 4 N 4.77 -0.89 3.17 7.32 0.00 -1.26 -5.15 105.19 113.14 2yto n GLY 4 Ca -0.06 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 2yto n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yto s SER 5 N -0.58 -0.22 -0.17 1.61 0.01 -1.26 -5.05 113.70 108.04 2yto s SER 5 Ca 0.22 0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.89 2yto s SER 5 Cb 0.28 0.46 -0.14 0.00 0.21 0.00 0.00 66.02 66.83 2yto s SER 5 CO -0.15 -0.20 -0.08 -1.54 0.41 0.00 0.00 173.24 171.68 2yto n SER 6 N 2.39 2.14 -2.34 2.44 3.41 -1.26 -4.62 113.62 115.79 2yto n SER 6 Ca -0.16 -0.06 -0.19 0.00 -0.26 0.00 0.00 58.87 58.20 2yto n SER 6 Cb 0.57 0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.56 2yto n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yto n GLY 7 N 2.43 3.38 0.00 5.00 0.00 -1.26 -3.71 105.19 111.03 2yto n GLY 7 Ca -0.29 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 2.64 0.00 -0.92 2.61 -2.24 -1.26 -5.15 114.28 109.96 2yto n THR 8 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 2yto n THR 8 Cb 0.74 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.65 -2.56 3.74 3.38 0.00 -1.24 -4.89 105.19 106.27 2yto n GLY 9 Ca 0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2yto n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yto s GLU 10 N -0.70 4.69 0.50 1.61 2.56 -1.26 -5.01 118.70 121.09 2yto s GLU 10 Ca 0.00 1.55 -0.22 0.00 0.00 0.00 0.00 54.97 56.30 2yto s GLU 10 Cb 0.00 -3.32 -0.06 0.00 2.00 0.00 0.00 34.13 32.75 2yto s GLU 10 CO 0.00 0.22 1.26 0.15 -0.56 0.00 0.00 175.26 176.33 2yto s LYS 11 N -0.37 3.46 0.41 4.30 -0.14 -1.26 -4.93 119.74 121.22 2yto s LYS 11 Ca 0.47 1.99 0.20 0.00 -1.36 0.00 0.00 55.97 57.27 2yto s LYS 11 Cb -0.26 -2.33 0.87 0.00 -1.68 0.00 0.00 37.83 34.43 2yto s LYS 11 CO 0.32 -0.86 1.83 -1.00 -0.76 0.00 0.00 175.35 174.88 2yto h PRO 12 N 1.76 0.00 -5.92 -1.68 0.13 -1.86 -3.45 132.00 120.97 2yto h PRO 12 Ca -0.50 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 2yto h PRO 12 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 2yto h PRO 12 CO 0.59 0.31 -0.70 0.71 -0.23 0.00 0.00 178.00 178.67 2yto s TYR 13 N -3.83 2.29 -0.29 1.56 2.02 -1.16 -5.06 117.35 112.89 2yto s TYR 13 Ca -0.01 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 2yto s TYR 13 Cb 0.12 -1.24 0.13 0.00 -0.40 0.00 0.00 41.96 40.57 2yto s TYR 13 CO 0.67 0.57 1.01 0.21 -1.57 0.00 0.00 175.55 176.43 2yto s LYS 14 N -3.61 0.44 -0.27 -0.62 2.47 -1.26 -3.21 119.74 113.68 2yto s LYS 14 Ca 0.31 0.62 -0.27 0.00 -1.56 0.00 0.00 55.97 55.08 2yto s LYS 14 Cb 0.01 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 2yto s LYS 14 CO 0.15 -0.07 0.95 0.00 0.16 0.00 0.00 175.35 176.55 2yto n SER 16 N 6.36 6.08 0.02 0.00 7.64 -1.26 -3.25 113.62 129.20 2yto n SER 16 Ca 0.09 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2yto n SER 16 Cb 0.47 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2yto n SER 16 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yto n ASP 17 N 0.88 0.19 0.00 6.43 8.00 -1.26 -4.99 116.55 125.80 2yto n ASP 17 Ca 0.25 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.81 2yto n ASP 17 Cb 0.58 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 2.95 0.22 3.46 0.00 0.00 -1.20 -5.11 105.19 105.52 2yto n GLY 19 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2yto n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yto s LYS 20 N 0.00 3.50 0.24 1.61 2.47 -1.25 -4.91 119.74 121.40 2yto s LYS 20 Ca 0.00 -0.60 0.04 0.00 -1.56 0.00 0.00 55.97 53.85 2yto s LYS 20 Cb 0.00 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 2yto s LYS 20 CO 0.00 -0.32 0.37 0.00 0.16 0.00 0.00 175.35 175.56 2yto s ALA 21 N 1.63 3.90 0.13 3.13 0.00 -1.26 -0.25 121.76 129.05 2yto s ALA 21 Ca 0.05 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 2yto s ALA 21 Cb -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2yto s ALA 21 CO 0.06 0.27 0.37 -0.06 0.00 0.00 0.00 175.76 176.40 2yto s PHE 22 N -1.98 -0.07 -0.07 0.00 0.40 -1.20 -4.97 117.98 110.09 2yto s PHE 22 Ca 0.35 -0.27 0.21 0.00 -0.60 0.00 0.00 56.93 56.62 2yto s PHE 22 Cb -0.10 0.19 -0.30 0.00 0.51 0.00 0.00 43.02 43.33 2yto s PHE 22 CO 0.30 -0.70 0.46 -2.37 0.70 0.00 0.00 175.22 173.60 2yto n THR 23 N -0.21 0.31 -4.38 0.64 5.66 -1.26 -2.96 114.28 112.07 2yto n THR 23 Ca -0.14 -0.57 -0.20 0.00 -3.05 0.00 0.00 64.05 60.09 2yto n THR 23 Cb 0.63 -0.12 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 2yto n THR 23 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2yto s ARG 24 N -3.32 1.43 0.09 1.09 1.81 -1.26 -4.78 118.95 114.00 2yto s ARG 24 Ca -0.08 -1.64 -0.30 0.00 -1.72 0.00 0.00 55.73 51.99 2yto s ARG 24 Cb 0.12 -1.28 -0.15 0.00 -0.45 0.00 0.00 34.95 33.18 2yto s ARG 24 CO 0.89 0.22 1.65 0.87 -0.68 0.00 0.00 175.30 178.24 2yto h LYS 25 N 2.48 -0.62 -0.42 3.54 1.79 -2.01 -3.04 116.57 118.29 2yto h LYS 25 Ca -0.39 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.20 2yto h LYS 25 Cb 1.23 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 31.93 2yto h LYS 25 CO 0.62 -0.41 -0.38 0.77 -1.08 0.00 0.00 179.45 178.97 2yto h SER 26 N -0.64 -1.25 -1.08 0.86 0.02 -1.98 0.37 113.55 109.84 2yto h SER 26 Ca -0.04 0.21 0.31 0.00 -0.84 0.00 0.00 61.79 61.43 2yto h SER 26 Cb 0.53 0.57 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 2yto h SER 26 CO 0.04 -0.34 1.06 1.23 -1.14 0.00 0.00 176.83 177.67 2yto h GLY 27 N -0.28 0.00 0.13 -3.77 0.00 -1.96 0.13 103.07 97.33 2yto h GLY 27 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.14 2yto h GLY 27 CO -0.57 0.00 -1.98 -0.10 0.00 0.00 0.00 176.54 173.89 2yto n LEU 28 N -3.55 2.24 -0.17 3.11 7.94 0.11 -3.96 117.00 122.71 2yto n LEU 28 Ca 0.24 0.26 -0.03 0.00 -1.11 0.00 0.00 56.01 55.37 2yto n LEU 28 Cb 1.40 -0.95 0.04 0.00 0.53 0.00 0.00 43.42 44.44 2yto n LEU 28 CO 0.30 0.60 0.74 0.45 -1.11 0.00 0.00 177.39 178.36 2yto h HIS 29 N -0.60 -0.36 -1.00 1.96 3.86 0.15 0.26 115.15 119.42 2yto h HIS 29 Ca -0.50 0.05 0.04 0.00 -1.16 0.00 0.00 60.37 58.80 2yto h HIS 29 Cb 1.65 0.24 -0.06 0.00 1.06 0.00 0.00 27.41 30.30 2yto h HIS 29 CO 0.03 -0.26 0.65 0.82 0.86 0.00 0.00 177.93 180.04 2yto h ILE 30 N -0.03 1.16 -0.26 2.45 2.04 -1.45 -1.79 117.51 119.63 2yto h ILE 30 Ca 0.26 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2yto h ILE 30 Cb 0.42 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2yto h ILE 30 CO -0.57 0.23 -0.32 -0.74 0.00 0.00 0.00 178.15 176.75 2yto h HIS 31 N 1.25 0.63 0.00 1.37 2.76 -1.03 -2.68 115.15 117.45 2yto h HIS 31 Ca 0.40 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2yto h HIS 31 Cb 0.03 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2yto h HIS 31 CO -0.00 0.80 -0.01 1.96 -1.30 0.00 0.00 177.93 179.38 2yto h GLN 32 N 0.47 0.00 -0.37 5.26 1.08 0.28 0.63 115.11 122.46 2yto h GLN 32 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2yto h GLN 32 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2yto h GLN 32 CO 0.06 0.01 0.00 1.04 -0.95 0.00 0.00 178.83 178.99 2yto n GLN 33 N -3.94 1.56 -0.08 1.46 1.13 -1.01 -3.58 117.38 112.91 2yto n GLN 33 Ca -0.03 -0.68 -0.15 0.00 -1.94 0.00 0.00 57.00 54.20 2yto n GLN 33 Cb 0.09 -1.28 -0.14 0.00 0.11 0.00 0.00 30.24 29.02 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 0.06 1.30 -3.49 1.08 7.64 0.21 -4.52 113.62 115.90 2yto n SER 34 Ca 0.06 0.04 -0.40 0.00 1.01 0.00 0.00 58.87 59.58 2yto n SER 34 Cb 0.24 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 2yto n SER 34 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2yto n HIS 35 N -3.13 2.62 -3.40 1.43 8.25 -1.23 -4.80 115.22 114.95 2yto n HIS 35 Ca -0.36 -2.88 -0.13 0.00 -0.26 0.00 0.00 57.72 54.09 2yto n HIS 35 Cb 1.06 -2.00 -0.10 0.00 1.12 0.00 0.00 29.99 30.06 2yto n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yto s THR 36 N -0.19 -0.49 -0.42 1.59 -4.23 -1.26 -5.11 115.64 105.52 2yto s THR 36 Ca 0.56 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.71 2yto s THR 36 Cb 0.17 -0.78 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2yto s THR 36 CO -0.08 -0.18 0.76 -0.83 -0.54 0.00 0.00 174.62 173.75 2yto s GLY 37 N 2.45 1.63 0.30 3.99 0.00 -1.26 -5.04 107.32 109.39 2yto s GLY 37 Ca 0.10 -0.93 0.09 0.00 0.00 0.00 0.00 44.72 43.99 2yto s GLY 37 CO -0.16 1.74 0.01 -0.54 0.00 0.00 0.00 173.10 174.14 2yto s GLU 38 N 3.18 2.19 -0.44 2.90 8.01 -1.26 -5.04 118.70 128.24 2yto s GLU 38 Ca 0.29 -1.56 -0.41 0.00 0.01 0.00 0.00 54.97 53.30 2yto s GLU 38 Cb -0.13 -2.06 -0.18 0.00 -4.31 0.00 0.00 34.13 27.46 2yto s GLU 38 CO 0.21 0.25 1.44 0.54 0.01 0.00 0.00 175.26 177.71 2yto n ARG 39 N -0.93 0.00 -1.39 1.61 5.12 -1.26 -4.78 116.66 115.03 2yto n ARG 39 Ca -0.05 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.62 2yto n ARG 39 Cb 0.60 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 2yto n ARG 39 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2yto n HIS 40 N 3.74 1.42 -4.32 -1.55 8.25 -1.26 -4.78 115.22 116.72 2yto n HIS 40 Ca 0.29 -1.89 -0.39 0.00 -0.26 0.00 0.00 57.72 55.46 2yto n HIS 40 Cb -0.05 -1.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.61 2yto n HIS 40 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2yto n SER 41 N 1.01 -1.50 -2.99 0.41 2.88 -1.26 -4.81 113.62 107.36 2yto n SER 41 Ca 0.47 -1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 56.70 2yto n SER 41 Cb 0.59 -1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2yto n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yto n GLY 42 N -1.13 2.74 3.59 0.46 0.00 -1.26 -5.09 105.19 104.51 2yto n GLY 42 Ca 0.08 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.47 3.24 0.00 1.61 0.04 -1.26 -4.84 135.00 131.33 2yto s PRO 43 Ca 0.35 1.17 0.27 0.00 0.04 0.00 0.00 61.00 62.83 2yto s PRO 43 Cb 0.38 -4.20 0.89 0.00 0.04 0.00 0.00 34.50 31.61 2yto s PRO 43 CO -0.04 -1.97 1.65 -1.13 0.04 0.00 0.00 177.00 175.55 2yto n SER 44 N 10.48 1.01 0.00 6.66 3.41 -1.26 -4.55 113.62 129.38 2yto n SER 44 Ca 0.21 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2yto n SER 44 Cb 0.48 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2yto n SER 44 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yto n SER 45 N -0.56 0.00 -0.51 4.04 7.64 -1.26 -5.36 113.62 117.62 2yto n SER 45 Ca 0.14 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.16 2yto n SER 45 Cb 0.34 -0.15 0.50 0.00 -1.01 0.00 0.00 64.21 63.89 2yto n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64