#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eor s SER 2 N 0.00 5.96 -0.06 1.61 0.01 -1.26 -5.02 113.70 114.94 2eor s SER 2 Ca 0.00 -3.23 -0.05 0.00 1.31 0.00 0.00 55.95 53.98 2eor s SER 2 Cb 0.00 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2eor s SER 2 CO 0.00 -0.32 0.16 -0.55 0.41 0.00 0.00 173.24 172.93 2eor s SER 3 N 0.67 -0.16 -0.08 2.44 0.15 -1.26 -5.04 113.70 110.42 2eor s SER 3 Ca 0.22 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.21 2eor s SER 3 Cb -0.13 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2eor s SER 3 CO -0.08 -0.06 0.73 0.61 1.20 0.00 0.00 173.24 175.64 2eor n GLY 4 N 2.99 -0.38 3.07 9.45 0.00 -1.26 -5.12 105.19 113.93 2eor n GLY 4 Ca -0.12 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2eor n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eor s SER 5 N -0.23 4.43 -0.28 1.61 0.15 -1.26 -5.08 113.70 113.04 2eor s SER 5 Ca 0.02 -1.40 0.02 0.00 0.70 0.00 0.00 55.95 55.29 2eor s SER 5 Cb 0.09 -1.54 0.06 0.00 -1.71 0.00 0.00 66.02 62.93 2eor s SER 5 CO -0.03 -0.19 -0.05 -0.44 1.20 0.00 0.00 173.24 173.73 2eor s SER 6 N 1.11 4.62 0.00 5.45 0.01 -1.26 -4.95 113.70 118.68 2eor s SER 6 Ca -0.09 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.69 2eor s SER 6 Cb -0.20 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2eor s SER 6 CO -0.05 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2eor n GLY 7 N 4.46 2.24 0.14 3.44 0.00 -1.26 -5.09 105.19 109.12 2eor n GLY 7 Ca -0.11 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 2eor n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2eor n THR 8 N 0.25 1.49 0.00 2.61 -1.04 -1.26 -5.10 114.28 111.22 2eor n THR 8 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2eor n THR 8 Cb 0.00 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 2eor n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2eor n GLY 9 N 1.43 2.99 0.29 3.41 0.00 -1.26 -4.98 105.19 107.07 2eor n GLY 9 Ca -0.31 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.68 2eor n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2eor n GLU 10 N -0.48 1.36 -1.99 1.61 2.13 -1.26 -4.85 120.64 117.17 2eor n GLU 10 Ca 0.00 -0.55 -0.43 0.00 0.66 0.00 0.00 57.16 56.84 2eor n GLU 10 Cb 0.00 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 2eor n GLU 10 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2eor s LYS 11 N -1.78 3.51 0.00 5.31 3.01 -1.26 -4.84 119.74 123.69 2eor s LYS 11 Ca 0.10 1.62 0.10 0.00 -1.01 0.00 0.00 55.97 56.78 2eor s LYS 11 Cb 0.05 -4.16 0.59 0.00 -1.01 0.00 0.00 37.83 33.31 2eor s LYS 11 CO 0.07 -1.64 1.03 -0.35 0.51 0.00 0.00 175.35 174.96 2eor n PRO 12 N 8.16 0.49 -4.14 -1.68 -0.04 -1.23 -4.69 135.00 131.87 2eor n PRO 12 Ca 0.22 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 2eor n PRO 12 Cb 0.46 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 2eor n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2eor s TYR 13 N -2.00 1.06 0.16 0.54 2.02 -0.82 -5.03 117.35 113.27 2eor s TYR 13 Ca 0.15 -0.49 -0.23 0.00 -0.37 0.00 0.00 57.07 56.12 2eor s TYR 13 Cb 0.07 -0.60 0.07 0.00 -0.40 0.00 0.00 41.96 41.10 2eor s TYR 13 CO 0.11 0.02 0.65 -0.80 -1.57 0.00 0.00 175.55 173.96 2eor s ASN 14 N -1.79 -0.51 -0.35 2.29 0.01 -1.26 -0.32 114.94 113.01 2eor s ASN 14 Ca -0.03 -0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 51.92 2eor s ASN 14 Cb -0.09 0.59 -0.00 0.00 0.41 0.00 0.00 41.25 42.16 2eor s ASN 14 CO 0.02 -0.98 0.22 0.00 -1.51 0.00 0.00 177.10 174.85 2eor n GLU 16 N 5.07 0.04 -0.01 0.00 0.00 -1.26 0.12 120.64 124.60 2eor n GLU 16 Ca -0.13 0.18 -0.17 0.00 0.00 0.00 0.00 57.16 57.05 2eor n GLU 16 Cb 0.49 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 30.25 2eor n GLU 16 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2eor h GLU 17 N 0.00 0.29 0.00 5.31 4.39 -1.98 -3.42 114.58 119.18 2eor h GLU 17 Ca 0.00 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.30 2eor h GLU 17 Cb 0.38 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2eor h GLU 17 CO 0.00 1.04 -1.27 0.00 -1.16 0.00 0.00 179.01 177.62 2eor n GLY 19 N 3.16 1.93 3.92 0.00 0.00 0.32 -5.05 105.19 109.49 2eor n GLY 19 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 2eor n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eor s LYS 20 N -0.10 2.34 0.08 1.61 1.02 -1.17 -4.75 119.74 118.77 2eor s LYS 20 Ca 0.00 -0.17 0.06 0.00 0.02 0.00 0.00 55.97 55.88 2eor s LYS 20 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 2eor s LYS 20 CO 0.00 -1.15 -0.17 0.00 -0.92 0.00 0.00 175.35 173.10 2eor s ALA 21 N -3.22 1.45 -0.02 5.17 0.00 -1.26 0.17 121.76 124.05 2eor s ALA 21 Ca 0.59 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 2eor s ALA 21 Cb -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2eor s ALA 21 CO 0.45 0.26 0.18 -0.06 0.00 0.00 0.00 175.76 176.58 2eor s PHE 22 N -1.18 -0.04 -0.03 0.00 0.40 0.56 -4.90 117.98 112.79 2eor s PHE 22 Ca 0.02 0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.26 2eor s PHE 22 Cb -0.10 -0.00 -0.32 0.00 0.51 0.00 0.00 43.02 43.11 2eor s PHE 22 CO 0.03 -0.27 0.79 0.82 0.70 0.00 0.00 175.22 177.29 2eor h ILE 23 N 4.32 1.14 -4.54 0.64 2.04 -1.91 -2.18 117.51 117.02 2eor h ILE 23 Ca -0.30 -2.56 -0.70 0.00 1.00 0.00 0.00 64.86 62.31 2eor h ILE 23 Cb 1.19 2.91 -0.30 0.00 -0.74 0.00 0.00 36.82 39.88 2eor h ILE 23 CO 0.40 0.80 -0.89 -1.00 0.00 0.00 0.00 178.15 177.46 2eor s HIS 24 N -2.55 2.35 0.14 1.37 3.76 -1.26 -4.50 115.29 114.60 2eor s HIS 24 Ca -0.14 -0.46 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 2eor s HIS 24 Cb 0.04 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.17 2eor s HIS 24 CO 0.87 -0.05 1.57 0.38 -0.85 0.00 0.00 174.74 176.65 2eor h ASP 25 N 5.55 -1.50 -0.86 1.40 2.03 -1.97 -0.55 116.42 120.52 2eor h ASP 25 Ca -0.42 0.21 0.26 0.00 -0.73 0.00 0.00 57.03 56.35 2eor h ASP 25 Cb 1.13 0.62 -0.16 0.00 -0.83 0.00 0.00 39.33 40.09 2eor h ASP 25 CO 0.47 -0.41 0.11 -1.54 -1.03 0.00 0.00 179.24 176.84 2eor n SER 26 N -5.42 -0.02 0.17 4.15 3.41 -1.26 0.57 113.62 115.22 2eor n SER 26 Ca -0.03 1.46 -0.14 0.00 -0.26 0.00 0.00 58.87 59.90 2eor n SER 26 Cb 0.36 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 2eor n SER 26 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2eor h GLN 27 N 0.00 -0.38 -0.28 4.33 4.20 -1.53 -2.11 115.11 119.34 2eor h GLN 27 Ca 0.57 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.34 2eor h GLN 27 Cb 1.26 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.08 2eor h GLN 27 CO -0.78 -0.15 0.04 1.25 -0.67 0.00 0.00 178.83 178.52 2eor h LEU 28 N -0.54 -0.02 -0.90 1.46 5.85 0.47 -1.98 115.31 119.65 2eor h LEU 28 Ca -0.04 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2eor h LEU 28 Cb 0.40 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 2eor h LEU 28 CO 0.07 0.02 0.51 1.56 -0.34 0.00 0.00 178.44 180.26 2eor h GLN 29 N 0.14 0.75 0.00 1.25 1.08 -0.58 0.58 115.11 118.33 2eor h GLN 29 Ca 0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2eor h GLN 29 Cb 0.15 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2eor h GLN 29 CO -0.19 0.50 0.00 -1.91 -0.95 0.00 0.00 178.83 176.28 2eor n GLU 30 N -4.76 0.02 -0.11 1.46 0.00 -0.76 -2.96 120.64 113.53 2eor n GLU 30 Ca 0.17 0.37 -0.22 0.00 0.00 0.00 0.00 57.16 57.48 2eor n GLU 30 Cb 0.39 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 30.21 2eor n GLU 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2eor n HIS 31 N -1.57 0.00 0.33 4.31 -0.00 0.17 -4.43 115.22 114.02 2eor n HIS 31 Ca 0.02 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.30 2eor n HIS 31 Cb 0.10 -0.75 0.52 0.00 -0.12 0.00 0.00 29.99 29.75 2eor n HIS 31 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2eor h GLN 32 N -0.79 0.00 -0.53 1.57 4.20 -0.50 0.28 115.11 119.34 2eor h GLN 32 Ca -0.50 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.24 2eor h GLN 32 Cb 1.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 2eor h GLN 32 CO -0.30 0.00 0.35 0.07 -0.67 0.00 0.00 178.83 178.28 2eor h ARG 33 N 0.00 0.57 -0.02 1.46 0.11 -1.75 -0.09 114.38 114.67 2eor h ARG 33 Ca 0.01 -0.03 0.01 0.00 0.10 0.00 0.00 59.98 60.06 2eor h ARG 33 Cb 1.17 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 2eor h ARG 33 CO -0.00 0.38 0.04 -0.84 0.10 0.00 0.00 179.97 179.65 2eor h ILE 34 N 0.59 0.24 0.03 0.08 3.07 -0.72 -2.71 117.51 118.08 2eor h ILE 34 Ca 0.22 0.00 -0.37 0.00 1.55 0.00 0.00 64.86 66.26 2eor h ILE 34 Cb 0.13 0.96 -0.05 0.00 -0.27 0.00 0.00 36.82 37.59 2eor h ILE 34 CO -0.06 0.00 -2.07 1.41 -1.05 0.00 0.00 178.15 176.38 2eor n HIS 35 N -3.42 0.55 -1.51 0.16 8.25 -0.13 -4.86 115.22 114.26 2eor n HIS 35 Ca -0.02 0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 57.27 2eor n HIS 35 Cb 0.12 -1.06 -0.15 0.00 1.12 0.00 0.00 29.99 30.02 2eor n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2eor n THR 36 N -3.92 -0.01 0.00 1.59 -2.24 -0.71 -2.94 114.28 106.04 2eor n THR 36 Ca -0.42 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2eor n THR 36 Cb 0.89 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2eor n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2eor n GLY 37 N 6.22 0.54 2.71 3.38 0.00 -1.26 -4.98 105.19 111.80 2eor n GLY 37 Ca 0.61 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2eor n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2eor n GLU 38 N 0.00 0.82 -1.09 1.61 0.00 -1.15 -5.11 120.64 115.72 2eor n GLU 38 Ca 0.00 -2.77 -0.35 0.00 0.00 0.00 0.00 57.16 54.04 2eor n GLU 38 Cb 0.00 1.18 0.02 0.00 0.00 0.00 0.00 31.44 32.64 2eor n GLU 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2eor n LYS 39 N -0.83 0.00 -1.08 3.44 5.02 -1.26 -4.93 118.16 118.53 2eor n LYS 39 Ca -0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 2eor n LYS 39 Cb 0.49 -0.92 0.24 0.00 -0.02 0.00 0.00 35.03 34.82 2eor n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2eor s PRO 40 N -1.14 -1.21 -1.01 1.97 0.04 -1.26 -4.94 135.00 127.46 2eor s PRO 40 Ca 0.48 -0.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 2eor s PRO 40 Cb -0.39 -1.60 0.12 0.00 0.04 0.00 0.00 34.50 32.68 2eor s PRO 40 CO 0.64 -3.70 1.26 0.45 0.04 0.00 0.00 177.00 175.69 2eor s SER 41 N -3.88 6.68 -0.67 6.66 0.15 -1.26 -4.53 113.70 116.86 2eor s SER 41 Ca 0.71 -2.09 -0.06 0.00 0.70 0.00 0.00 55.95 55.20 2eor s SER 41 Cb -0.10 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2eor s SER 41 CO 0.56 -1.11 0.66 0.61 1.20 0.00 0.00 173.24 175.16 2eor n GLY 42 N 5.55 -1.18 3.77 9.45 0.00 -1.26 -4.96 105.19 116.56 2eor n GLY 42 Ca 0.29 0.72 -0.32 0.00 0.00 0.00 0.00 46.02 46.70 2eor n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eor s PRO 43 N -3.19 2.61 -1.41 1.61 0.04 -1.26 -3.67 135.00 129.73 2eor s PRO 43 Ca 0.08 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 2eor s PRO 43 Cb -0.02 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2eor s PRO 43 CO 0.79 -1.38 1.11 0.43 0.04 0.00 0.00 177.00 177.99 2eor n SER 44 N -2.81 -6.06 -0.06 6.66 7.64 -1.26 -4.90 113.62 112.84 2eor n SER 44 Ca 0.10 -0.58 -0.12 0.00 1.01 0.00 0.00 58.87 59.28 2eor n SER 44 Cb 0.52 -4.78 -0.04 0.00 -1.01 0.00 0.00 64.21 58.90 2eor n SER 44 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eor n SER 45 N -2.95 0.88 0.00 6.43 2.88 -1.24 -5.29 113.62 114.33 2eor n SER 45 Ca 0.01 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2eor n SER 45 Cb 0.56 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2eor n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42