#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ciq n THR 3 N 0.00 0.00 -3.73 3.15 -2.24 -1.26 -5.03 114.28 105.17 1ciq n THR 3 Ca 0.00 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1ciq n THR 3 Cb 0.00 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1ciq n THR 3 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ciq s GLU 4 N -0.75 0.74 -0.55 -0.78 -1.05 -1.26 -5.11 118.70 109.94 1ciq s GLU 4 Ca 0.09 -0.20 0.07 0.00 -0.15 0.00 0.00 54.97 54.77 1ciq s GLU 4 Cb 0.06 0.33 0.26 0.00 -0.44 0.00 0.00 34.13 34.34 1ciq s GLU 4 CO 0.12 -0.22 0.69 0.91 0.95 0.00 0.00 175.26 177.71 1ciq n TRP 5 N 1.09 2.26 0.26 4.83 8.01 -1.26 -4.95 117.44 127.69 1ciq n TRP 5 Ca -0.21 -3.94 0.11 0.00 -1.31 0.00 0.00 57.50 52.15 1ciq n TRP 5 Cb 0.57 -0.48 0.69 0.00 -2.01 0.00 0.00 31.31 30.07 1ciq n TRP 5 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1ciq h PRO 6 N 4.00 0.00 0.00 -0.99 0.13 -2.01 -0.86 132.00 132.27 1ciq h PRO 6 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ciq h PRO 6 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ciq h PRO 6 CO 0.70 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.74 1ciq n GLU 7 N -3.88 0.33 0.00 0.86 0.00 -1.26 -3.00 120.64 113.70 1ciq n GLU 7 Ca -0.02 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.33 1ciq n GLU 7 Cb 0.22 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 1ciq n GLU 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ciq n LEU 8 N -1.19 1.37 -4.69 -1.84 4.77 -0.33 -4.94 117.00 110.15 1ciq n LEU 8 Ca 0.09 -0.56 -0.52 0.00 -0.03 0.00 0.00 56.01 55.00 1ciq n LEU 8 Cb 0.11 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1ciq n LEU 8 CO 0.11 0.29 1.45 0.52 -1.33 0.00 0.00 177.39 178.43 1ciq n VAL 9 N -0.90 0.47 -0.00 4.08 0.31 -1.16 -2.57 118.33 118.56 1ciq n VAL 9 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1ciq n VAL 9 Cb 0.38 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1ciq n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ciq n GLY 10 N 4.42 0.30 3.93 2.92 0.00 -1.26 -5.06 105.19 110.45 1ciq n GLY 10 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1ciq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ciq s LYS 11 N -0.90 3.51 0.75 1.61 -0.14 -1.06 -5.07 119.74 118.44 1ciq s LYS 11 Ca 0.00 -0.24 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 1ciq s LYS 11 Cb 0.00 -2.63 0.04 0.00 -1.68 0.00 0.00 37.83 33.56 1ciq s LYS 11 CO 0.00 0.12 1.08 -1.54 -0.76 0.00 0.00 175.35 174.25 1ciq s SER 12 N -3.94 4.85 0.16 2.83 1.04 -1.26 -4.85 113.70 112.53 1ciq s SER 12 Ca 0.41 1.51 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 1ciq s SER 12 Cb -0.10 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.79 1ciq s SER 12 CO 0.36 -1.77 1.74 0.58 0.98 0.00 0.00 173.24 175.13 1ciq h VAL 13 N -0.95 0.85 -0.52 5.02 2.07 -1.97 0.79 116.25 121.54 1ciq h VAL 13 Ca -0.45 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1ciq h VAL 13 Cb 1.24 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 1ciq h VAL 13 CO 0.57 0.04 0.08 -0.33 0.02 0.00 0.00 177.57 177.95 1ciq h GLU 14 N 0.23 0.20 -0.27 1.57 3.07 -1.99 0.44 114.58 117.83 1ciq h GLU 14 Ca 0.17 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 1ciq h GLU 14 Cb 0.18 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1ciq h GLU 14 CO -0.20 0.13 -0.02 0.93 -1.40 0.00 0.00 179.01 178.45 1ciq h GLU 15 N 0.21 0.50 -0.42 2.33 5.08 -1.90 -1.10 114.58 119.28 1ciq h GLU 15 Ca 0.27 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ciq h GLU 15 Cb 0.38 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ciq h GLU 15 CO -0.37 0.68 0.09 0.00 -1.00 0.00 0.00 179.01 178.41 1ciq h ALA 16 N 0.81 0.56 -0.71 3.43 0.00 -0.07 -0.96 119.26 122.31 1ciq h ALA 16 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ciq h ALA 16 Cb 0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1ciq h ALA 16 CO 0.02 0.25 0.42 0.87 0.00 0.00 0.00 179.25 180.82 1ciq h LYS 17 N 0.55 0.77 -0.22 0.00 1.57 0.14 -0.56 116.57 118.82 1ciq h LYS 17 Ca 0.13 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1ciq h LYS 17 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ciq h LYS 17 CO 0.00 0.51 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.93 1ciq h LYS 18 N 0.80 0.41 -0.03 3.15 3.64 -0.97 -2.14 116.57 121.43 1ciq h LYS 18 Ca 0.31 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1ciq h LYS 18 Cb 0.12 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1ciq h LYS 18 CO -0.15 0.63 -0.11 0.28 -2.27 0.00 0.00 179.45 177.83 1ciq h VAL 19 N 0.37 1.48 -0.55 2.00 2.07 -0.27 -3.05 116.25 118.30 1ciq h VAL 19 Ca 0.06 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1ciq h VAL 19 Cb 0.63 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1ciq h VAL 19 CO 0.04 0.42 0.21 0.40 0.02 0.00 0.00 177.57 178.66 1ciq h ILE 20 N -0.46 1.21 0.00 4.57 2.04 -1.03 -2.45 117.51 121.39 1ciq h ILE 20 Ca -0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1ciq h ILE 20 Cb 0.75 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1ciq h ILE 20 CO 0.02 0.26 -0.22 -0.07 0.00 0.00 0.00 178.15 178.14 1ciq h LEU 21 N 0.79 0.00 -0.19 1.44 3.38 -1.45 0.60 115.31 119.88 1ciq h LEU 21 Ca 0.19 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 1ciq h LEU 21 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ciq h LEU 21 CO -0.02 0.22 -0.42 -0.61 0.09 0.00 0.00 178.44 177.70 1ciq h GLN 22 N 0.00 0.61 0.00 1.13 -0.00 -1.32 -2.91 115.11 112.62 1ciq h GLN 22 Ca -0.00 -0.41 -0.09 0.00 -0.00 0.00 0.00 58.65 58.14 1ciq h GLN 22 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 1ciq h GLN 22 CO 0.03 1.03 -0.81 -0.44 0.00 0.00 0.00 178.83 178.64 1ciq h ASP 23 N 0.29 0.00 -1.77 -0.69 3.32 -1.26 -3.42 116.42 112.88 1ciq h ASP 23 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1ciq h ASP 23 Cb 1.03 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.29 1ciq h ASP 23 CO 0.09 0.37 -0.68 -0.75 -1.72 0.00 0.00 179.24 176.55 1ciq s LYS 24 N -3.05 0.77 0.47 3.56 2.20 0.21 -4.98 119.74 118.91 1ciq s LYS 24 Ca 0.01 -1.05 0.16 0.00 -0.36 0.00 0.00 55.97 54.74 1ciq s LYS 24 Cb 0.08 -0.65 1.13 0.00 -1.51 0.00 0.00 37.83 36.88 1ciq s LYS 24 CO 0.76 -1.25 2.01 -1.35 -0.36 0.00 0.00 175.35 175.17 1ciq h PRO 25 N 6.50 0.26 -0.23 4.03 0.11 -1.72 -1.26 132.00 139.69 1ciq h PRO 25 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ciq h PRO 25 Cb 1.05 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ciq h PRO 25 CO 0.19 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.30 1ciq n GLU 26 N -4.46 1.69 -1.75 1.05 0.00 -1.26 -4.97 120.64 110.94 1ciq n GLU 26 Ca 0.08 -1.06 -0.42 0.00 0.00 0.00 0.00 57.16 55.76 1ciq n GLU 26 Cb 0.37 -1.32 -0.01 0.00 0.00 0.00 0.00 31.44 30.48 1ciq n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ciq n ALA 27 N 0.32 2.30 -3.04 -1.84 0.00 -0.47 -4.97 120.51 112.80 1ciq n ALA 27 Ca 0.13 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1ciq n ALA 27 Cb 0.29 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.23 1ciq n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ciq s GLN 28 N -1.29 2.83 -0.28 0.00 -1.52 -1.26 -5.04 119.66 113.10 1ciq s GLN 28 Ca 0.59 -1.40 -0.26 0.00 -1.95 0.00 0.00 55.36 52.35 1ciq s GLN 28 Cb -0.50 -3.99 0.00 0.00 -0.22 0.00 0.00 33.01 28.30 1ciq s GLN 28 CO 0.56 -1.00 0.90 0.42 -0.25 0.00 0.00 175.29 175.92 1ciq s ILE 29 N 1.55 4.73 -0.16 1.08 -1.09 -1.26 -5.05 121.20 121.01 1ciq s ILE 29 Ca 0.04 1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 59.99 1ciq s ILE 29 Cb -0.24 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1ciq s ILE 29 CO 0.05 -0.23 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.80 1ciq s ILE 30 N 3.09 3.12 -0.33 2.92 -1.09 -1.26 -5.11 121.20 122.55 1ciq s ILE 30 Ca 0.37 -0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 1ciq s ILE 30 Cb -0.14 -2.35 0.07 0.00 -1.58 0.00 0.00 42.46 38.45 1ciq s ILE 30 CO 0.10 0.49 0.06 -0.69 -1.23 0.00 0.00 174.94 173.68 1ciq s VAL 31 N 0.76 3.11 0.13 2.92 1.01 -1.26 -5.10 120.40 121.97 1ciq s VAL 31 Ca -0.04 -1.56 0.08 0.00 0.00 0.00 0.00 61.98 60.46 1ciq s VAL 31 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ciq s VAL 31 CO 0.01 -0.27 -0.19 -0.76 0.00 0.00 0.00 175.10 173.89 1ciq s LEU 32 N 1.23 2.36 0.29 3.92 1.43 -1.26 -5.12 118.68 121.53 1ciq s LEU 32 Ca -0.01 -0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 1ciq s LEU 32 Cb -0.20 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.10 1ciq s LEU 32 CO -0.02 -0.00 1.23 -2.84 0.23 0.00 0.00 176.35 174.95 1ciq s PRO 33 N -2.32 4.47 0.33 1.29 0.02 -1.26 -4.95 135.00 132.58 1ciq s PRO 33 Ca 0.10 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.88 1ciq s PRO 33 Cb -0.08 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.18 1ciq s PRO 33 CO 0.05 -0.05 1.27 0.28 -0.33 0.00 0.00 177.00 178.22 1ciq n VAL 34 N 1.19 1.95 -0.28 3.83 0.31 -1.26 -1.58 118.33 122.49 1ciq n VAL 34 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1ciq n VAL 34 Cb 0.43 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1ciq n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ciq n GLY 35 N 0.88 0.93 3.69 2.92 0.00 -1.26 -5.03 105.19 107.32 1ciq n GLY 35 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ciq n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ciq s THR 36 N -2.71 3.50 -0.12 2.61 2.01 -0.62 -4.93 115.64 115.39 1ciq s THR 36 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 1ciq s THR 36 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1ciq s THR 36 CO 0.00 0.01 1.15 -0.63 -0.69 0.00 0.00 174.62 174.46 1ciq s ILE 37 N 2.17 4.44 -1.84 1.82 1.01 -1.26 -5.05 121.20 122.48 1ciq s ILE 37 Ca 0.66 1.74 0.15 0.00 0.00 0.00 0.00 60.65 63.19 1ciq s ILE 37 Cb -0.34 -4.12 0.12 0.00 0.01 0.00 0.00 42.46 38.13 1ciq s ILE 37 CO 0.28 -0.06 0.97 1.33 0.00 0.00 0.00 174.94 177.46