#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 3.16 -0.03 1.61 0.01 -1.26 -5.11 113.70 112.08 2yto s SER 2 Ca 0.00 -0.84 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 2yto s SER 2 Cb 0.00 -0.97 0.03 0.00 0.21 0.00 0.00 66.02 65.29 2yto s SER 2 CO 0.00 -0.21 0.03 -0.44 0.41 0.00 0.00 173.24 173.03 2yto s SER 3 N 1.58 0.33 0.00 2.44 0.01 -1.26 -5.09 113.70 111.71 2yto s SER 3 Ca -0.01 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2yto s SER 3 Cb -0.17 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2yto s SER 3 CO -0.07 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2yto n GLY 4 N 4.40 0.48 3.42 3.44 0.00 -1.26 -5.04 105.19 110.63 2yto n GLY 4 Ca -0.23 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 2yto n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yto n SER 5 N 0.00 -4.95 -2.28 1.61 7.64 -1.26 -4.92 113.62 109.46 2yto n SER 5 Ca 0.00 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 59.05 2yto n SER 5 Cb 0.00 -4.80 0.04 0.00 -1.01 0.00 0.00 64.21 58.44 2yto n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yto n SER 6 N -2.83 6.15 -4.17 6.43 7.64 -1.26 -5.03 113.62 120.55 2yto n SER 6 Ca -0.07 -3.77 -0.29 0.00 1.01 0.00 0.00 58.87 55.75 2yto n SER 6 Cb 0.59 -0.65 0.18 0.00 -1.01 0.00 0.00 64.21 63.31 2yto n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yto s GLY 7 N -2.71 1.79 -0.85 0.23 0.00 -1.26 -5.02 107.32 99.50 2yto s GLY 7 Ca 0.56 -1.32 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 2yto s GLY 7 CO -0.05 -0.56 0.75 -0.51 0.00 0.00 0.00 173.10 172.72 2yto s THR 8 N -3.80 4.80 0.00 0.90 -4.23 -1.26 -4.98 115.64 107.07 2yto s THR 8 Ca 0.74 -3.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.04 2yto s THR 8 Cb -0.04 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.82 2yto s THR 8 CO 0.52 -1.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2yto n GLY 9 N 3.11 -0.38 3.52 3.99 0.00 -1.26 -5.06 105.19 109.10 2yto n GLY 9 Ca 0.16 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.71 1.85 0.26 1.61 0.41 -1.26 -5.13 118.70 112.73 2yto s GLU 10 Ca 0.00 -1.56 -0.18 0.00 -0.41 0.00 0.00 54.97 52.82 2yto s GLU 10 Cb 0.00 -1.94 -0.08 0.00 -1.78 0.00 0.00 34.13 30.33 2yto s GLU 10 CO 0.00 0.37 0.73 0.15 -0.49 0.00 0.00 175.26 176.01 2yto s LYS 11 N -3.27 4.15 0.17 1.61 3.01 -1.26 -4.99 119.74 119.15 2yto s LYS 11 Ca 0.28 0.79 -0.08 0.00 -1.01 0.00 0.00 55.97 55.94 2yto s LYS 11 Cb -0.06 -2.71 0.03 0.00 -1.01 0.00 0.00 37.83 34.08 2yto s LYS 11 CO 0.15 0.30 1.51 -1.00 0.51 0.00 0.00 175.35 176.83 2yto h PRO 12 N 2.97 0.83 -5.91 -1.68 0.13 -1.92 -3.43 132.00 123.00 2yto h PRO 12 Ca -0.48 -0.43 -0.57 0.00 -0.87 0.00 0.00 66.00 63.65 2yto h PRO 12 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2yto h PRO 12 CO 0.65 1.07 -0.00 0.71 -0.23 0.00 0.00 178.00 180.20 2yto s TYR 13 N -4.35 3.55 -0.18 1.56 1.51 -1.20 -5.01 117.35 113.22 2yto s TYR 13 Ca -0.10 1.10 -0.05 0.00 -1.01 0.00 0.00 57.07 57.01 2yto s TYR 13 Cb 0.12 -2.70 0.07 0.00 -0.11 0.00 0.00 41.96 39.33 2yto s TYR 13 CO 0.87 0.11 0.10 0.21 -1.11 0.00 0.00 175.55 175.73 2yto s LYS 14 N 0.75 0.08 0.21 -0.62 2.47 -1.26 -1.29 119.74 120.07 2yto s LYS 14 Ca 0.33 -0.08 -0.32 0.00 -1.56 0.00 0.00 55.97 54.33 2yto s LYS 14 Cb -0.17 -1.74 -0.13 0.00 -1.46 0.00 0.00 37.83 34.33 2yto s LYS 14 CO 0.15 -0.69 1.50 0.00 0.16 0.00 0.00 175.35 176.47 2yto n SER 16 N 2.74 7.30 0.00 0.00 2.88 -1.26 -3.77 113.62 121.51 2yto n SER 16 Ca 0.14 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 2yto n SER 16 Cb 0.31 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 -0.72 0.30 0.00 -3.46 8.00 -1.26 -4.99 116.55 114.41 2yto n ASP 17 Ca 0.57 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.07 2yto n ASP 17 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 3.01 0.45 3.31 0.00 0.00 -1.25 -5.11 105.19 105.60 2yto n GLY 19 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.32 0.27 1.61 1.02 -1.26 -4.92 119.74 119.79 2yto s LYS 20 Ca 0.00 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.36 2yto s LYS 20 Cb 0.00 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2yto s LYS 20 CO 0.00 0.00 0.36 0.00 -0.92 0.00 0.00 175.35 174.79 2yto s ALA 21 N 0.89 3.96 0.24 5.17 0.00 -1.26 -0.25 121.76 130.51 2yto s ALA 21 Ca -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 2yto s ALA 21 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2yto s ALA 21 CO -0.00 0.16 0.27 -0.06 0.00 0.00 0.00 175.76 176.12 2yto s PHE 22 N -2.07 1.03 -0.14 0.00 0.40 -0.41 -4.96 117.98 111.82 2yto s PHE 22 Ca 0.37 -1.25 0.15 0.00 -0.60 0.00 0.00 56.93 55.60 2yto s PHE 22 Cb -0.09 -0.35 -0.21 0.00 0.51 0.00 0.00 43.02 42.88 2yto s PHE 22 CO 0.29 -0.80 0.11 2.41 0.70 0.00 0.00 175.22 177.92 2yto n THR 23 N -0.37 0.96 -4.54 0.64 -1.04 -1.26 -3.27 114.28 105.40 2yto n THR 23 Ca 0.02 -0.65 -0.27 0.00 -2.04 0.00 0.00 64.05 61.10 2yto n THR 23 Cb 0.64 -0.46 -0.10 0.00 -1.82 0.00 0.00 70.33 68.58 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 -2.52 1.96 0.01 -2.82 1.81 -1.26 -4.90 118.95 111.24 2yto s ARG 24 Ca -0.08 -2.02 -0.25 0.00 -1.72 0.00 0.00 55.73 51.66 2yto s ARG 24 Cb 0.06 -1.71 -0.14 0.00 -0.45 0.00 0.00 34.95 32.71 2yto s ARG 24 CO 0.68 -0.00 1.10 0.87 -0.68 0.00 0.00 175.30 177.27 2yto h LYS 25 N 1.79 -0.86 -0.45 3.54 1.79 -2.01 -3.27 116.57 117.10 2yto h LYS 25 Ca -0.43 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.16 2yto h LYS 25 Cb 1.24 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 32.00 2yto h LYS 25 CO 0.77 -0.57 -0.49 0.77 -1.08 0.00 0.00 179.45 178.84 2yto h SER 26 N -1.14 -1.66 -0.72 0.86 0.02 -1.97 0.86 113.55 109.80 2yto h SER 26 Ca -0.09 0.24 0.29 0.00 -0.84 0.00 0.00 61.79 61.38 2yto h SER 26 Cb 0.68 0.71 -0.13 0.00 0.14 0.00 0.00 62.40 63.80 2yto h SER 26 CO 0.15 -0.38 0.33 0.61 -1.14 0.00 0.00 176.83 176.41 2yto n GLY 27 N -1.39 -0.61 0.09 -3.77 0.00 -1.24 -0.20 105.19 98.07 2yto n GLY 27 Ca -0.01 0.60 -0.17 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -0.89 0.99 5.85 -0.99 -3.26 115.31 117.01 2yto h LEU 28 Ca 0.59 -0.61 0.21 0.00 0.84 0.00 0.00 57.88 58.91 2yto h LEU 28 Cb 1.52 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.38 2yto h LEU 28 CO -0.57 1.21 -0.06 0.45 -0.34 0.00 0.00 178.44 179.13 2yto h HIS 29 N -1.00 -0.19 -0.24 1.25 3.86 0.16 0.31 115.15 119.30 2yto h HIS 29 Ca -0.18 0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2yto h HIS 29 Cb 1.07 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 2yto h HIS 29 CO 0.13 -0.36 0.11 0.82 0.86 0.00 0.00 177.93 179.50 2yto h ILE 30 N 0.04 1.15 0.00 2.45 2.04 -1.10 -2.23 117.51 119.86 2yto h ILE 30 Ca 0.49 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2yto h ILE 30 Cb 0.89 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2yto h ILE 30 CO -0.85 0.14 -0.03 -0.74 0.00 0.00 0.00 178.15 176.68 2yto h HIS 31 N 0.26 0.00 -0.00 1.37 -0.00 -0.57 0.85 115.15 117.06 2yto h HIS 31 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2yto h HIS 31 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2yto h HIS 31 CO -0.02 0.03 -0.02 1.04 -0.00 0.00 0.00 177.93 178.96 2yto n GLN 32 N -3.92 0.17 0.00 5.26 1.13 0.44 -3.23 117.38 117.24 2yto n GLN 32 Ca -0.03 -0.01 0.06 0.00 -1.94 0.00 0.00 57.00 55.08 2yto n GLN 32 Cb 0.11 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.30 2yto n GLN 32 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2yto n GLN 33 N -1.41 0.94 -0.76 -1.09 6.02 0.29 -2.94 117.38 118.43 2yto n GLN 33 Ca 0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 2yto n GLN 33 Cb 0.30 -1.19 0.10 0.00 1.02 0.00 0.00 30.24 30.47 2yto n GLN 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2yto n SER 34 N -0.69 1.29 -0.55 1.08 3.41 -1.20 -4.74 113.62 112.22 2yto n SER 34 Ca 0.08 -2.80 0.07 0.00 -0.26 0.00 0.00 58.87 55.96 2yto n SER 34 Cb 0.04 -0.38 0.19 0.00 -0.26 0.00 0.00 64.21 63.80 2yto n SER 34 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2yto n HIS 35 N -0.46 0.00 -0.07 7.33 8.25 -1.15 -4.73 115.22 124.39 2yto n HIS 35 Ca 0.11 -1.38 -0.21 0.00 -0.26 0.00 0.00 57.72 55.98 2yto n HIS 35 Cb 0.83 -0.23 -0.12 0.00 1.12 0.00 0.00 29.99 31.58 2yto n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2yto h THR 36 N 1.08 1.01 -2.16 1.59 1.35 -1.85 -3.46 112.91 110.47 2yto h THR 36 Ca -0.01 -2.26 -0.22 0.00 -0.55 0.00 0.00 66.41 63.37 2yto h THR 36 Cb 1.03 2.49 -0.32 0.00 -1.73 0.00 0.00 68.15 69.62 2yto h THR 36 CO 0.00 0.49 -0.54 -0.83 -0.25 0.00 0.00 175.52 174.39 2yto s GLY 37 N -4.88 -0.24 0.03 5.82 0.00 -1.26 -5.02 107.32 101.77 2yto s GLY 37 Ca -0.25 0.65 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 2yto s GLY 37 CO 0.66 2.45 1.02 -2.09 0.00 0.00 0.00 173.10 175.13 2yto h GLU 38 N 8.24 0.56 -5.78 2.90 4.81 -1.90 -3.47 114.58 119.93 2yto h GLU 38 Ca -0.18 -0.90 -0.54 0.00 -0.13 0.00 0.00 59.36 57.61 2yto h GLU 38 Cb 1.15 0.33 0.22 0.00 0.63 0.00 0.00 28.75 31.09 2yto h GLU 38 CO 0.28 1.43 -1.71 2.89 -0.73 0.00 0.00 179.01 181.16 2yto n ARG 39 N -3.75 0.00 -0.10 1.92 0.00 -1.26 -4.93 116.66 108.54 2yto n ARG 39 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.51 2yto n ARG 39 Cb 1.07 -0.96 -0.13 0.00 -0.00 0.00 0.00 32.46 32.44 2yto n ARG 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2yto n HIS 40 N -2.28 0.30 -1.44 2.89 8.25 -1.26 -4.97 115.22 116.71 2yto n HIS 40 Ca -0.01 0.07 -0.56 0.00 -0.26 0.00 0.00 57.72 56.96 2yto n HIS 40 Cb 0.53 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.52 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 -3.29 0.67 0.00 0.41 2.88 -1.26 -4.80 113.62 108.24 2yto n SER 41 Ca -0.42 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2yto n SER 41 Cb 1.01 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 2.70 -0.17 3.60 0.46 0.00 -1.26 -5.14 105.19 105.39 2yto n GLY 42 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.67 -1.08 -0.10 1.61 0.04 -1.26 -5.04 135.00 128.50 2yto s PRO 43 Ca 0.00 -0.02 -0.04 0.00 0.04 0.00 0.00 61.00 60.98 2yto s PRO 43 Cb 0.00 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.92 2yto s PRO 43 CO 0.00 -3.63 -0.09 0.77 0.04 0.00 0.00 177.00 174.09 2yto h SER 44 N -2.52 0.00 -1.13 6.66 0.02 -2.03 -3.42 113.55 111.12 2yto h SER 44 Ca -0.46 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.15 2yto h SER 44 Cb 1.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 2yto h SER 44 CO 0.36 0.53 0.91 -0.94 -1.14 0.00 0.00 176.83 176.56 2yto s SER 45 N -5.22 5.04 0.00 3.07 1.04 -1.26 -5.24 113.70 111.12 2yto s SER 45 Ca -0.07 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2yto s SER 45 Cb 0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2yto s SER 45 CO 0.11 -2.73 0.00 0.61 0.98 0.00 0.00 173.24 172.20