#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 6.39 0.00 0.55 0.00 -1.26 -5.19 105.19 105.68 1cr8 n GLY 4 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 2.85 -0.93 0.07 -0.02 0.00 -1.26 -5.12 105.19 100.79 1cr8 n GLY 5 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1cr8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr8 n HIS 7 N -2.47 -0.76 -1.55 0.00 8.25 -1.26 -5.03 115.22 112.40 1cr8 n HIS 7 Ca 0.00 -0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.08 1cr8 n HIS 7 Cb 0.00 0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1cr8 n HIS 7 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1cr8 n THR 8 N -0.05 -0.01 -0.99 1.59 5.66 -1.26 -0.73 114.28 118.48 1cr8 n THR 8 Ca -0.00 -0.53 -0.06 0.00 -3.05 0.00 0.00 64.05 60.41 1cr8 n THR 8 Cb 0.05 -1.72 -0.02 0.00 -1.55 0.00 0.00 70.33 67.09 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 15.78 -4.17 -4.70 1.09 5.68 -1.26 -4.84 116.55 124.12 1cr8 n ASP 9 Ca 0.50 0.14 -0.34 0.00 -0.50 0.00 0.00 54.79 54.59 1cr8 n ASP 9 Cb 0.38 -3.03 0.11 0.00 -1.14 0.00 0.00 41.12 37.45 1cr8 n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1cr8 s GLU 10 N -2.14 1.84 -0.16 0.11 8.01 0.09 -4.48 118.70 121.96 1cr8 s GLU 10 Ca 0.00 1.83 -0.08 0.00 0.01 0.00 0.00 54.97 56.73 1cr8 s GLU 10 Cb 0.00 -1.79 -0.04 0.00 -4.31 0.00 0.00 34.13 27.99 1cr8 s GLU 10 CO 0.00 -2.08 0.13 0.12 0.01 0.00 0.00 175.26 173.44 1cr8 s PHE 11 N -1.97 3.49 -0.32 1.61 5.36 0.16 -4.33 117.98 121.98 1cr8 s PHE 11 Ca 0.75 0.41 -0.11 0.00 -0.96 0.00 0.00 56.93 57.03 1cr8 s PHE 11 Cb -0.31 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1cr8 s PHE 11 CO 0.48 0.49 0.19 -1.14 -1.46 0.00 0.00 175.22 173.79 1cr8 s GLN 12 N -0.29 3.50 0.48 10.12 0.74 -1.26 -0.84 119.66 132.11 1cr8 s GLN 12 Ca 0.11 -0.62 -0.24 0.00 0.05 0.00 0.00 55.36 54.66 1cr8 s GLN 12 Cb -0.11 -3.68 -0.07 0.00 1.10 0.00 0.00 33.01 30.25 1cr8 s GLN 12 CO 0.01 -0.39 1.42 0.00 -0.55 0.00 0.00 175.29 175.78 1cr8 n ARG 14 N -0.48 0.08 0.05 0.00 1.85 -1.26 -2.66 116.66 114.25 1cr8 n ARG 14 Ca 0.07 0.02 -0.03 0.00 -1.00 0.00 0.00 57.85 56.91 1cr8 n ARG 14 Cb 0.43 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 1cr8 n ARG 14 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1cr8 h LEU 15 N 0.00 -0.18 -1.33 2.89 7.12 -1.93 -3.42 115.31 118.46 1cr8 h LEU 15 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1cr8 h LEU 15 Cb 0.57 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1cr8 h LEU 15 CO 0.00 0.19 0.00 0.47 -0.13 0.00 0.00 178.44 178.97 1cr8 n ASP 16 N -4.38 0.97 0.00 1.25 9.92 -1.26 -5.04 116.55 118.01 1cr8 n ASP 16 Ca -0.03 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 1cr8 n ASP 16 Cb 0.09 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1cr8 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cr8 n GLY 17 N -0.13 0.75 3.79 0.44 0.00 -1.09 -5.05 105.19 103.91 1cr8 n GLY 17 Ca 0.00 0.00 -0.31 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 2.91 -0.18 0.99 2.34 -1.26 -4.49 118.68 118.99 1cr8 s LEU 18 Ca 0.00 1.61 -0.00 0.00 0.06 0.00 0.00 54.13 55.80 1cr8 s LEU 18 Cb 0.00 -4.34 0.01 0.00 -0.56 0.00 0.00 46.19 41.30 1cr8 s LEU 18 CO 0.00 -1.85 -0.15 0.00 -1.06 0.00 0.00 176.35 173.29 1cr8 s ILE 20 N 1.22 1.37 -0.47 0.00 -5.25 -0.02 -4.88 121.20 113.16 1cr8 s ILE 20 Ca 0.03 -1.29 -0.28 0.00 -0.99 0.00 0.00 60.65 58.12 1cr8 s ILE 20 Cb -0.14 -1.25 -0.01 0.00 2.95 0.00 0.00 42.46 44.01 1cr8 s ILE 20 CO -0.07 -0.06 1.71 -2.16 -1.79 0.00 0.00 174.94 172.56 1cr8 s PRO 21 N -1.58 3.12 0.14 0.37 0.04 -1.26 -0.67 135.00 135.17 1cr8 s PRO 21 Ca 0.03 0.94 0.18 0.00 0.04 0.00 0.00 61.00 62.19 1cr8 s PRO 21 Cb -0.09 -4.23 0.78 0.00 0.04 0.00 0.00 34.50 31.00 1cr8 s PRO 21 CO 0.03 -2.12 1.55 -0.11 0.04 0.00 0.00 177.00 176.38 1cr8 n LEU 22 N 10.81 0.35 -0.02 -3.56 0.00 -1.26 -0.63 117.00 122.69 1cr8 n LEU 22 Ca 0.20 0.60 0.21 0.00 0.00 0.00 0.00 56.01 57.02 1cr8 n LEU 22 Cb 0.49 -0.56 0.49 0.00 0.00 0.00 0.00 43.42 43.84 1cr8 n LEU 22 CO 0.70 -0.47 1.20 0.03 0.00 0.00 0.00 177.39 178.84 1cr8 h ARG 23 N 0.00 0.00 -0.56 1.96 -0.00 -1.90 -0.99 114.38 112.89 1cr8 h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1cr8 h ARG 23 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.23 1cr8 h ARG 23 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.97 180.88 1cr8 n TRP 24 N -3.24 1.63 0.82 3.04 7.02 0.20 -4.41 117.44 122.51 1cr8 n TRP 24 Ca 0.14 -0.69 0.00 0.00 -1.02 0.00 0.00 57.50 55.93 1cr8 n TRP 24 Cb 1.14 -0.36 0.04 0.00 -2.42 0.00 0.00 31.31 29.70 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 0.67 1.35 -2.70 -0.99 1.74 -0.38 -4.60 116.66 111.76 1cr8 n ARG 25 Ca 0.26 -0.29 -0.06 0.00 -0.77 0.00 0.00 57.85 56.99 1cr8 n ARG 25 Cb 1.01 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.96 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 1.74 0.00 0.00 0.00 5.75 -1.26 -5.07 116.55 117.71 1cr8 n ASP 27 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1cr8 n ASP 27 Cb 0.66 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 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 -0.36 0.73 3.60 6.12 0.00 -1.26 -4.80 105.19 109.22 1cr8 n GLY 28 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.66 5.64 -1.13 1.61 -1.08 -1.26 -4.39 116.67 115.39 1cr8 s ASP 29 Ca 0.00 0.02 -0.19 0.00 -0.52 0.00 0.00 52.55 51.86 1cr8 s ASP 29 Cb 0.00 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.42 1cr8 s ASP 29 CO 0.00 0.10 1.97 0.35 0.52 0.00 0.00 175.17 178.11 1cr8 n THR 30 N 4.05 2.65 -0.28 1.71 -2.24 -1.26 -4.65 114.28 114.26 1cr8 n THR 30 Ca -0.16 -2.50 -0.03 0.00 -2.27 0.00 0.00 64.05 59.09 1cr8 n THR 30 Cb 0.52 -2.37 0.09 0.00 -2.10 0.00 0.00 70.33 66.47 1cr8 n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1cr8 h ASP 31 N 7.72 0.82 -3.92 3.42 3.32 -1.94 -3.42 116.42 122.42 1cr8 h ASP 31 Ca 0.42 -0.01 -0.47 0.00 0.02 0.00 0.00 57.03 57.00 1cr8 h ASP 31 Cb 0.75 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1cr8 h ASP 31 CO 1.70 0.57 0.38 0.00 -1.72 0.00 0.00 179.24 180.17 1cr8 n MET 33 N 0.27 0.00 0.09 0.00 1.56 -1.26 -2.96 117.12 114.82 1cr8 n MET 33 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1cr8 n MET 33 Cb 0.50 -1.19 0.00 0.00 2.15 0.00 0.00 33.22 34.68 1cr8 n MET 33 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1cr8 n ASP 34 N -0.46 0.18 0.00 6.12 5.75 -1.26 -4.91 116.55 121.97 1cr8 n ASP 34 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1cr8 n ASP 34 Cb 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 -3.28 0.00 -0.60 -1.12 3.41 -1.15 -5.02 113.62 105.85 1cr8 n SER 35 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1cr8 n SER 35 Cb 0.04 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.26 1cr8 n SER 35 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cr8 n SER 36 N 0.00 1.77 -0.21 4.04 3.41 -1.26 -0.67 113.62 120.70 1cr8 n SER 36 Ca 0.00 -1.85 0.01 0.00 -0.26 0.00 0.00 58.87 56.78 1cr8 n SER 36 Cb 0.00 -0.17 0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1cr8 n SER 36 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1cr8 h ASP 37 N 2.13 0.08 0.00 4.04 2.03 -1.89 -3.43 116.42 119.37 1cr8 h ASP 37 Ca 0.00 0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.31 1cr8 h ASP 37 Cb 0.48 0.13 -0.10 0.00 -0.83 0.00 0.00 39.33 39.00 1cr8 h ASP 37 CO 0.00 0.04 -0.24 -1.84 -1.03 0.00 0.00 179.24 176.17 1cr8 n GLU 38 N -5.09 0.00 0.00 4.15 0.28 0.15 -4.43 120.64 115.70 1cr8 n GLU 38 Ca 0.09 -0.76 0.00 0.00 -0.16 0.00 0.00 57.16 56.33 1cr8 n GLU 38 Cb 0.32 0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.52 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 0.02 0.00 -0.39 3.44 0.00 -0.01 -0.20 118.16 121.01 1cr8 n LYS 39 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.12 1cr8 n LYS 39 Cb 0.66 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.55 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 -0.45 0.00 -3.22 3.14 2.88 -1.26 -4.96 113.62 109.75 1cr8 n SER 40 Ca 0.00 -1.70 -0.24 0.00 -1.33 0.00 0.00 58.87 55.60 1cr8 n SER 40 Cb 0.00 -0.14 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cr8 n GLU 42 N 1.10 0.00 -3.24 0.00 1.02 -1.26 -4.11 120.64 114.15 1cr8 n GLU 42 Ca 0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.23 1cr8 n GLU 42 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.01 1cr8 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cr8 n GLY 43 N 0.00 -1.17 0.00 0.62 0.00 -1.26 -4.56 105.19 98.81 1cr8 n GLY 43 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1cr8 n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87