#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 1.78 0.00 0.55 0.00 -1.26 -4.88 105.19 101.38 1cr8 n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cr8 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr8 n GLY 5 N 0.73 1.00 0.73 -0.02 0.00 -1.26 -5.07 105.19 101.31 1cr8 n GLY 5 Ca 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 1cr8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr8 s HIS 7 N -1.15 0.13 -0.71 0.00 2.46 -1.26 -5.07 115.29 109.68 1cr8 s HIS 7 Ca -0.01 -0.79 -0.34 0.00 0.47 0.00 0.00 55.06 54.39 1cr8 s HIS 7 Cb 0.00 0.83 -0.18 0.00 -0.13 0.00 0.00 32.58 33.11 1cr8 s HIS 7 CO 0.01 -1.51 2.44 -2.37 -2.47 0.00 0.00 174.74 170.84 1cr8 n THR 8 N -0.56 0.02 -0.87 0.89 5.66 -1.26 -0.96 114.28 117.20 1cr8 n THR 8 Ca -0.08 -0.14 -0.04 0.00 -3.05 0.00 0.00 64.05 60.75 1cr8 n THR 8 Cb 0.60 -0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 68.41 1cr8 n THR 8 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cr8 n ASP 9 N 10.28 -3.97 -4.68 1.09 5.75 -1.26 -4.85 116.55 118.90 1cr8 n ASP 9 Ca 0.56 0.09 -0.29 0.00 -0.01 0.00 0.00 54.79 55.15 1cr8 n ASP 9 Cb 0.10 -2.78 0.18 0.00 -1.03 0.00 0.00 41.12 37.59 1cr8 n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1cr8 s GLU 10 N -1.84 0.41 -0.10 0.11 8.01 -0.13 -4.49 118.70 120.65 1cr8 s GLU 10 Ca 0.00 0.46 -0.03 0.00 0.01 0.00 0.00 54.97 55.41 1cr8 s GLU 10 Cb 0.00 -1.74 -0.03 0.00 -4.31 0.00 0.00 34.13 28.05 1cr8 s GLU 10 CO 0.00 -2.74 0.01 0.12 0.01 0.00 0.00 175.26 172.67 1cr8 s PHE 11 N -3.00 3.19 -0.18 1.61 5.36 0.06 -4.72 117.98 120.30 1cr8 s PHE 11 Ca 0.65 0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 56.77 1cr8 s PHE 11 Cb -0.18 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.65 1cr8 s PHE 11 CO 0.57 0.42 -0.10 -1.14 -1.46 0.00 0.00 175.22 173.52 1cr8 s GLN 12 N -0.68 3.33 0.85 10.12 0.74 -1.26 -0.74 119.66 132.01 1cr8 s GLN 12 Ca 0.11 -0.67 -0.13 0.00 0.05 0.00 0.00 55.36 54.72 1cr8 s GLN 12 Cb -0.12 -2.81 0.11 0.00 1.10 0.00 0.00 33.01 31.29 1cr8 s GLN 12 CO 0.02 -0.05 1.21 0.00 -0.55 0.00 0.00 175.29 175.92 1cr8 n ARG 14 N -3.42 6.40 0.18 0.00 3.00 -1.26 -3.77 116.66 117.80 1cr8 n ARG 14 Ca 0.10 -0.01 0.02 0.00 -0.01 0.00 0.00 57.85 57.95 1cr8 n ARG 14 Cb 0.61 -0.48 0.35 0.00 0.00 0.00 0.00 32.46 32.94 1cr8 n ARG 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1cr8 h LEU 15 N 0.00 0.00 0.00 0.55 5.85 -1.96 -3.42 115.31 116.33 1cr8 h LEU 15 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cr8 h LEU 15 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1cr8 h LEU 15 CO 0.00 0.38 0.00 -0.90 -0.34 0.00 0.00 178.44 177.58 1cr8 n ASP 16 N -4.09 -0.89 0.00 1.25 5.75 -1.26 -5.09 116.55 112.22 1cr8 n ASP 16 Ca -0.02 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 1cr8 n ASP 16 Cb 0.41 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 1cr8 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cr8 n GLY 17 N 0.76 -0.67 3.68 6.12 0.00 -1.25 -5.08 105.19 108.75 1cr8 n GLY 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.85 -0.16 0.99 2.34 -1.26 -4.54 118.68 117.90 1cr8 s LEU 18 Ca 0.00 1.36 0.02 0.00 0.06 0.00 0.00 54.13 55.57 1cr8 s LEU 18 Cb 0.00 -3.63 0.01 0.00 -0.56 0.00 0.00 46.19 42.01 1cr8 s LEU 18 CO 0.00 -2.99 -0.21 0.00 -1.06 0.00 0.00 176.35 172.09 1cr8 s ILE 20 N 1.01 1.14 -0.47 0.00 -5.25 0.08 -4.91 121.20 112.80 1cr8 s ILE 20 Ca -0.02 -1.29 -0.28 0.00 -0.99 0.00 0.00 60.65 58.07 1cr8 s ILE 20 Cb -0.14 -1.09 -0.01 0.00 2.95 0.00 0.00 42.46 44.17 1cr8 s ILE 20 CO -0.06 -0.20 1.70 -2.16 -1.79 0.00 0.00 174.94 172.43 1cr8 s PRO 21 N -1.69 3.12 0.09 0.37 0.04 -1.26 -0.76 135.00 134.91 1cr8 s PRO 21 Ca -0.01 0.92 0.20 0.00 0.04 0.00 0.00 61.00 62.15 1cr8 s PRO 21 Cb -0.10 -4.23 0.82 0.00 0.04 0.00 0.00 34.50 31.04 1cr8 s PRO 21 CO 0.02 -2.13 1.62 -0.11 0.04 0.00 0.00 177.00 176.45 1cr8 n LEU 22 N 10.81 0.25 0.18 -3.56 0.00 -1.26 -0.73 117.00 122.68 1cr8 n LEU 22 Ca 0.19 0.55 0.03 0.00 0.00 0.00 0.00 56.01 56.79 1cr8 n LEU 22 Cb 0.49 -0.51 0.18 0.00 0.00 0.00 0.00 43.42 43.58 1cr8 n LEU 22 CO 0.70 -0.30 0.79 0.08 0.00 0.00 0.00 177.39 178.67 1cr8 h ARG 23 N 0.00 0.00 -0.07 1.96 -0.00 -1.88 -0.38 114.38 114.01 1cr8 h ARG 23 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1cr8 h ARG 23 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 1cr8 h ARG 23 CO 0.00 0.00 -0.08 0.91 -0.00 0.00 0.00 179.97 180.80 1cr8 n TRP 24 N -1.94 0.24 1.02 4.08 7.02 0.09 -4.55 117.44 123.39 1cr8 n TRP 24 Ca -0.00 -1.10 0.00 0.00 -1.02 0.00 0.00 57.50 55.38 1cr8 n TRP 24 Cb 0.56 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 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 -1.20 0.94 -2.67 -0.99 1.74 -0.15 -4.44 116.66 109.88 1cr8 n ARG 25 Ca 0.19 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.22 1cr8 n ARG 25 Cb 0.72 -1.43 0.09 0.00 -1.02 0.00 0.00 32.46 30.82 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 0.93 3.45 0.00 0.00 5.68 -1.26 -5.07 116.55 120.29 1cr8 n ASP 27 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1cr8 n ASP 27 Cb 0.73 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 1cr8 n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cr8 n GLY 28 N 2.48 1.46 3.25 6.12 0.00 -1.26 -5.12 105.19 112.12 1cr8 n GLY 28 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1cr8 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cr8 s ASP 29 N -1.85 1.08 -0.31 1.61 -1.08 -1.26 -5.15 116.67 109.71 1cr8 s ASP 29 Ca 0.00 -1.25 0.03 0.00 -0.52 0.00 0.00 52.55 50.81 1cr8 s ASP 29 Cb 0.00 0.16 0.09 0.00 -1.46 0.00 0.00 42.92 41.71 1cr8 s ASP 29 CO 0.00 -0.65 0.01 0.42 0.52 0.00 0.00 175.17 175.47 1cr8 s THR 30 N -3.75 2.06 0.17 1.71 -4.23 -1.26 -4.94 115.64 105.41 1cr8 s THR 30 Ca 0.29 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1cr8 s THR 30 Cb 0.07 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1cr8 s THR 30 CO 0.07 -0.43 1.54 0.44 -0.54 0.00 0.00 174.62 175.71 1cr8 h ASP 31 N 7.72 0.91 -4.20 3.99 5.19 -1.96 -3.45 116.42 124.61 1cr8 h ASP 31 Ca -0.10 -0.38 -0.53 0.00 -0.62 0.00 0.00 57.03 55.41 1cr8 h ASP 31 Cb 1.03 -0.25 0.16 0.00 0.18 0.00 0.00 39.33 40.45 1cr8 h ASP 31 CO 0.49 1.14 0.36 0.00 -3.12 0.00 0.00 179.24 178.11 1cr8 n MET 33 N -3.06 0.00 0.00 0.00 2.81 -1.26 -4.04 117.12 111.56 1cr8 n MET 33 Ca 0.13 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1cr8 n MET 33 Cb 0.51 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1cr8 n MET 33 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cr8 n ASP 34 N -0.91 0.00 0.00 7.83 5.75 -1.26 -5.03 116.55 122.93 1cr8 n ASP 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1cr8 n ASP 34 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1cr8 n ASP 34 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cr8 n SER 35 N -2.30 0.00 0.00 -1.12 3.41 -1.26 -5.00 113.62 107.35 1cr8 n SER 35 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1cr8 n SER 35 Cb 0.00 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.52 1cr8 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cr8 n SER 36 N 0.00 0.00 -0.20 4.04 2.88 -1.26 -0.82 113.62 118.26 1cr8 n SER 36 Ca 0.00 -1.23 -0.07 0.00 -1.33 0.00 0.00 58.87 56.24 1cr8 n SER 36 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1cr8 n SER 36 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1cr8 h ASP 37 N 0.00 -1.39 0.00 -3.46 5.19 -1.91 -3.42 116.42 111.43 1cr8 h ASP 37 Ca 0.00 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1cr8 h ASP 37 Cb 0.00 0.65 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1cr8 h ASP 37 CO 0.00 -0.33 0.00 -1.84 -3.12 0.00 0.00 179.24 173.95 1cr8 n GLU 38 N -5.42 0.00 0.00 3.56 0.28 -0.00 -4.39 120.64 114.67 1cr8 n GLU 38 Ca 0.02 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1cr8 n GLU 38 Cb 0.35 -0.35 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 -0.31 3.44 0.00 -0.68 -0.95 118.16 119.66 1cr8 n LYS 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1cr8 n LYS 39 Cb 0.34 -1.34 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 0.45 0.00 0.00 0.00 177.40 177.85 1cr8 n SER 40 N -0.59 0.00 -0.69 3.14 2.88 -1.26 -4.90 113.62 112.20 1cr8 n SER 40 Ca 0.00 -1.44 0.06 0.00 -1.33 0.00 0.00 58.87 56.17 1cr8 n SER 40 Cb 0.00 -0.09 0.16 0.00 -0.75 0.00 0.00 64.21 63.53 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cr8 s GLU 42 N -1.00 2.19 0.27 0.00 2.02 -1.26 -5.07 118.70 115.86 1cr8 s GLU 42 Ca 0.25 -1.05 -0.18 0.00 0.02 0.00 0.00 54.97 54.01 1cr8 s GLU 42 Cb 0.13 -2.46 0.07 0.00 0.10 0.00 0.00 34.13 31.96 1cr8 s GLU 42 CO 0.17 -0.99 0.91 0.41 0.02 0.00 0.00 175.26 175.78 1cr8 n GLY 43 N -2.49 0.78 2.65 -1.39 0.00 -1.26 -5.18 105.19 98.30 1cr8 n GLY 43 Ca 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1cr8 n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70