#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr8 n GLY 4 N 0.00 4.07 3.25 0.55 0.00 -1.26 -4.91 105.19 106.89 1cr8 n GLY 4 Ca 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 1cr8 n GLY 4 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cr8 s GLY 5 N 3.20 1.10 -0.11 -0.02 0.00 -1.26 -4.76 107.32 105.46 1cr8 s GLY 5 Ca 0.48 -1.37 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1cr8 s GLY 5 CO -0.05 -1.45 0.39 0.00 0.00 0.00 0.00 173.10 172.00 1cr8 n HIS 7 N -3.50 -0.25 -0.09 0.00 -0.00 -1.26 -4.97 115.22 105.15 1cr8 n HIS 7 Ca -0.31 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 57.86 1cr8 n HIS 7 Cb 1.05 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.91 1cr8 n HIS 7 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1cr8 n THR 8 N 0.00 0.29 0.00 3.57 5.66 -1.26 -0.82 114.28 121.71 1cr8 n THR 8 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1cr8 n THR 8 Cb 0.00 -1.41 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 1cr8 n THR 8 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cr8 n ASP 9 N 2.67 0.00 -4.85 1.09 2.03 -1.26 -5.06 116.55 111.17 1cr8 n ASP 9 Ca 0.03 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 1cr8 n ASP 9 Cb 0.08 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.44 1cr8 n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1cr8 s GLU 10 N 0.00 3.97 -0.11 -0.67 8.01 -0.00 -4.41 118.70 125.49 1cr8 s GLU 10 Ca 0.00 0.77 -0.04 0.00 0.01 0.00 0.00 54.97 55.71 1cr8 s GLU 10 Cb 0.00 -2.30 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 1cr8 s GLU 10 CO 0.00 -0.04 0.05 0.12 0.01 0.00 0.00 175.26 175.40 1cr8 s PHE 11 N -2.29 3.31 -0.25 1.61 5.36 0.07 -1.55 117.98 124.24 1cr8 s PHE 11 Ca 0.56 0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 56.70 1cr8 s PHE 11 Cb -0.10 -1.87 -0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1cr8 s PHE 11 CO 0.24 0.51 0.20 -1.14 -1.46 0.00 0.00 175.22 173.57 1cr8 s GLN 12 N -0.77 4.05 0.48 10.12 0.74 -1.26 -0.81 119.66 132.21 1cr8 s GLN 12 Ca 0.12 -0.22 -0.24 0.00 0.05 0.00 0.00 55.36 55.07 1cr8 s GLN 12 Cb -0.12 -3.58 -0.07 0.00 1.10 0.00 0.00 33.01 30.34 1cr8 s GLN 12 CO 0.03 -0.03 1.37 0.00 -0.55 0.00 0.00 175.29 176.11 1cr8 n ARG 14 N -0.46 0.89 0.00 0.00 1.85 -1.26 -3.16 116.66 114.52 1cr8 n ARG 14 Ca 0.07 -0.52 0.00 0.00 -1.00 0.00 0.00 57.85 56.40 1cr8 n ARG 14 Cb 0.42 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1cr8 n ARG 14 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1cr8 n LEU 15 N -0.60 0.00 0.11 2.89 0.00 -1.26 -4.82 117.00 113.33 1cr8 n LEU 15 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.10 1cr8 n LEU 15 Cb 0.35 -0.14 0.12 0.00 0.00 0.00 0.00 43.42 43.74 1cr8 n LEU 15 CO 0.25 -0.42 0.44 -0.78 0.00 0.00 0.00 177.39 176.89 1cr8 h ASP 16 N 0.00 0.10 0.00 1.96 3.58 -1.96 -3.48 116.42 116.62 1cr8 h ASP 16 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1cr8 h ASP 16 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1cr8 h ASP 16 CO 0.00 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 1cr8 n GLY 17 N 0.38 0.78 3.65 -0.78 0.00 -1.19 -5.06 105.19 102.98 1cr8 n GLY 17 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1cr8 n GLY 17 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cr8 s LEU 18 N 0.00 2.07 -0.13 0.99 0.05 -1.26 -4.39 118.68 116.00 1cr8 s LEU 18 Ca 0.00 1.66 0.01 0.00 0.05 0.00 0.00 54.13 55.85 1cr8 s LEU 18 Cb 0.00 -3.96 0.02 0.00 -2.05 0.00 0.00 46.19 40.20 1cr8 s LEU 18 CO 0.00 -3.11 -0.15 0.00 -0.55 0.00 0.00 176.35 172.54 1cr8 s ILE 20 N 1.26 1.06 -0.49 0.00 -5.25 0.01 -4.88 121.20 112.92 1cr8 s ILE 20 Ca 0.00 -1.16 -0.28 0.00 -0.99 0.00 0.00 60.65 58.22 1cr8 s ILE 20 Cb -0.14 -1.01 -0.01 0.00 2.95 0.00 0.00 42.46 44.25 1cr8 s ILE 20 CO -0.07 -0.15 1.71 -2.16 -1.79 0.00 0.00 174.94 172.49 1cr8 s PRO 21 N -1.48 3.09 0.11 0.37 0.04 -1.26 -0.75 135.00 135.11 1cr8 s PRO 21 Ca -0.01 0.90 0.18 0.00 0.04 0.00 0.00 61.00 62.10 1cr8 s PRO 21 Cb -0.09 -4.24 0.75 0.00 0.04 0.00 0.00 34.50 30.97 1cr8 s PRO 21 CO 0.02 -2.17 1.55 -0.11 0.04 0.00 0.00 177.00 176.32 1cr8 n LEU 22 N 10.94 0.29 0.24 -3.56 0.00 -1.26 -0.75 117.00 122.89 1cr8 n LEU 22 Ca 0.19 0.57 0.10 0.00 0.00 0.00 0.00 56.01 56.87 1cr8 n LEU 22 Cb 0.49 -0.54 0.51 0.00 0.00 0.00 0.00 43.42 43.88 1cr8 n LEU 22 CO 0.70 -0.41 0.93 0.08 0.00 0.00 0.00 177.39 178.69 1cr8 h ARG 23 N 0.00 0.00 -0.66 1.96 0.11 -1.89 -0.67 114.38 113.23 1cr8 h ARG 23 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1cr8 h ARG 23 Cb 0.28 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.28 1cr8 h ARG 23 CO 0.00 0.00 0.16 0.91 0.10 0.00 0.00 179.97 181.14 1cr8 n TRP 24 N -2.39 2.28 0.64 4.08 7.02 0.07 -4.35 117.44 124.79 1cr8 n TRP 24 Ca -0.01 -1.02 0.00 0.00 -1.02 0.00 0.00 57.50 55.45 1cr8 n TRP 24 Cb 0.38 -0.61 0.07 0.00 -2.42 0.00 0.00 31.31 28.72 1cr8 n TRP 24 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1cr8 n ARG 25 N 0.13 1.61 -2.70 -0.99 1.74 -0.26 -4.66 116.66 111.53 1cr8 n ARG 25 Ca 0.35 -0.57 -0.04 0.00 -0.77 0.00 0.00 57.85 56.83 1cr8 n ARG 25 Cb 1.31 -1.55 0.03 0.00 -1.02 0.00 0.00 32.46 31.22 1cr8 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cr8 n ASP 27 N 2.66 0.00 0.00 0.00 5.75 -1.26 -5.08 116.55 118.61 1cr8 n ASP 27 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1cr8 n ASP 27 Cb 0.62 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1cr8 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cr8 n GLY 28 N 0.49 0.79 3.34 6.12 0.00 -1.26 -5.13 105.19 109.53 1cr8 n GLY 28 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1cr8 n GLY 28 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cr8 s ASP 29 N -0.16 0.07 -0.29 1.61 -4.77 -1.26 -5.16 116.67 106.71 1cr8 s ASP 29 Ca 0.00 -1.19 -0.00 0.00 -3.30 0.00 0.00 52.55 48.06 1cr8 s ASP 29 Cb 0.00 0.45 0.09 0.00 -1.09 0.00 0.00 42.92 42.37 1cr8 s ASP 29 CO 0.00 -0.94 0.07 0.42 0.70 0.00 0.00 175.17 175.42 1cr8 s THR 30 N -4.09 1.06 0.08 2.11 -4.23 -1.26 -4.94 115.64 104.36 1cr8 s THR 30 Ca 0.31 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1cr8 s THR 30 Cb 0.04 -1.73 -0.09 0.00 1.34 0.00 0.00 72.50 72.06 1cr8 s THR 30 CO 0.10 -0.57 1.51 0.44 -0.54 0.00 0.00 174.62 175.56 1cr8 h ASP 31 N 8.04 0.40 -3.32 3.99 5.19 -1.95 -3.42 116.42 125.34 1cr8 h ASP 31 Ca -0.13 -0.31 -0.53 0.00 -0.62 0.00 0.00 57.03 55.44 1cr8 h ASP 31 Cb 1.03 -0.11 0.06 0.00 0.18 0.00 0.00 39.33 40.49 1cr8 h ASP 31 CO 0.46 0.61 0.79 0.00 -3.12 0.00 0.00 179.24 177.98 1cr8 h MET 33 N 5.18 0.00 0.00 0.00 4.05 -1.96 -3.29 114.93 118.91 1cr8 h MET 33 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1cr8 h MET 33 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1cr8 h MET 33 CO 0.79 0.00 0.00 -3.47 0.23 0.00 0.00 176.91 174.46 1cr8 n ASP 34 N -3.72 0.00 0.00 1.39 2.03 -1.26 -5.03 116.55 109.96 1cr8 n ASP 34 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1cr8 n ASP 34 Cb 1.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 1cr8 n ASP 34 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cr8 n SER 35 N 0.00 0.00 -0.30 1.67 7.64 -1.24 -5.01 113.62 116.39 1cr8 n SER 35 Ca 0.00 -0.57 0.10 0.00 1.01 0.00 0.00 58.87 59.41 1cr8 n SER 35 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 1cr8 n SER 35 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1cr8 n SER 36 N 0.00 0.89 -0.14 6.43 2.88 -1.26 -0.93 113.62 121.49 1cr8 n SER 36 Ca 0.00 -1.56 -0.04 0.00 -1.33 0.00 0.00 58.87 55.94 1cr8 n SER 36 Cb 0.24 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1cr8 n SER 36 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1cr8 n ASP 37 N -0.20 -0.35 0.00 -3.46 9.92 -1.26 -4.63 116.55 116.57 1cr8 n ASP 37 Ca 0.15 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 1cr8 n ASP 37 Cb 0.21 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1cr8 n ASP 37 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1cr8 n GLU 38 N -3.71 0.00 0.00 -1.24 0.28 -0.11 -4.53 120.64 111.33 1cr8 n GLU 38 Ca 0.01 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1cr8 n GLU 38 Cb 0.08 -0.40 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1cr8 n GLU 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cr8 n LYS 39 N 0.00 0.08 -1.59 3.44 3.00 -0.64 -1.98 118.16 120.46 1cr8 n LYS 39 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1cr8 n LYS 39 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1cr8 n LYS 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1cr8 n SER 40 N 0.77 -1.14 0.00 3.14 7.64 -1.26 -4.95 113.62 117.82 1cr8 n SER 40 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1cr8 n SER 40 Cb 0.03 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cr8 n GLU 42 N -0.26 -0.15 0.00 0.00 4.71 -1.26 -3.86 120.64 119.82 1cr8 n GLU 42 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1cr8 n GLU 42 Cb 0.28 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1cr8 n GLU 42 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cr8 n GLY 43 N 1.04 1.61 0.00 0.62 0.00 -1.26 -5.23 105.19 101.98 1cr8 n GLY 43 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1cr8 n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87