#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 0.88 3.71 0.55 0.00 -1.26 -4.94 105.19 104.13 1cr8 n GLY 4 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 -0.27 -0.00 -0.02 0.00 -1.26 -5.11 107.32 98.66 1cr8 s GLY 5 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.82 1cr8 s GLY 5 CO 0.00 0.05 0.76 0.00 0.00 0.00 0.00 173.10 173.90 1cr8 s HIS 7 N -3.02 0.23 -0.75 0.00 3.76 -1.26 -5.01 115.29 109.23 1cr8 s HIS 7 Ca -0.05 -0.81 -0.33 0.00 -0.15 0.00 0.00 55.06 53.73 1cr8 s HIS 7 Cb 0.00 0.67 -0.18 0.00 1.11 0.00 0.00 32.58 34.19 1cr8 s HIS 7 CO 0.14 -1.46 2.50 -2.37 -0.85 0.00 0.00 174.74 172.71 1cr8 n THR 8 N -0.52 0.01 -0.99 1.30 5.66 -1.26 -0.88 114.28 117.60 1cr8 n THR 8 Ca -0.06 -0.18 -0.06 0.00 -3.05 0.00 0.00 64.05 60.70 1cr8 n THR 8 Cb 0.60 -1.06 -0.03 0.00 -1.55 0.00 0.00 70.33 68.30 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 10.97 -4.04 -4.62 1.09 5.75 -1.26 -4.79 116.55 119.65 1cr8 n ASP 9 Ca 0.56 0.15 -0.30 0.00 -0.01 0.00 0.00 54.79 55.19 1cr8 n ASP 9 Cb 0.14 -2.97 0.19 0.00 -1.03 0.00 0.00 41.12 37.44 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 -2.14 0.43 -0.14 0.11 8.01 -0.05 -4.51 118.70 120.40 1cr8 s GLU 10 Ca 0.00 1.11 -0.07 0.00 0.01 0.00 0.00 54.97 56.02 1cr8 s GLU 10 Cb 0.00 -1.69 -0.04 0.00 -4.31 0.00 0.00 34.13 28.09 1cr8 s GLU 10 CO 0.00 -2.89 0.12 0.12 0.01 0.00 0.00 175.26 172.62 1cr8 s PHE 11 N -2.66 3.50 -0.29 1.61 5.36 0.06 -4.65 117.98 120.90 1cr8 s PHE 11 Ca 0.66 0.43 -0.12 0.00 -0.96 0.00 0.00 56.93 56.94 1cr8 s PHE 11 Cb -0.22 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1cr8 s PHE 11 CO 0.60 0.57 0.23 -1.14 -1.46 0.00 0.00 175.22 174.02 1cr8 s GLN 12 N -0.59 3.84 -0.24 10.12 0.74 -1.26 -0.81 119.66 131.47 1cr8 s GLN 12 Ca 0.12 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 1cr8 s GLN 12 Cb -0.12 -3.70 -0.07 0.00 1.10 0.00 0.00 33.01 30.22 1cr8 s GLN 12 CO 0.02 -0.27 2.20 0.00 -0.55 0.00 0.00 175.29 176.69 1cr8 h ARG 14 N 14.03 0.00 0.40 0.00 1.12 -1.94 0.51 114.38 128.51 1cr8 h ARG 14 Ca -0.38 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.47 1cr8 h ARG 14 Cb 1.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1cr8 h ARG 14 CO 0.98 0.08 -0.19 1.25 -3.11 0.00 0.00 179.97 178.98 1cr8 h LEU 15 N 0.00 -0.46 0.01 3.80 7.12 -1.98 -3.41 115.31 120.39 1cr8 h LEU 15 Ca -0.00 0.02 -0.37 0.00 0.13 0.00 0.00 57.88 57.65 1cr8 h LEU 15 Cb 0.43 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.63 1cr8 h LEU 15 CO 0.01 -0.18 -2.05 -0.67 -0.13 0.00 0.00 178.44 175.42 1cr8 n ASP 16 N -4.29 1.93 0.00 1.25 -0.08 -1.24 -5.05 116.55 109.07 1cr8 n ASP 16 Ca -0.07 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1cr8 n ASP 16 Cb 0.21 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1cr8 n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cr8 n GLY 17 N 1.42 1.07 3.78 0.27 0.00 0.17 -5.07 105.19 106.83 1cr8 n GLY 17 Ca -0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 2.69 -0.15 0.99 -0.00 -1.26 -4.51 118.68 116.44 1cr8 s LEU 18 Ca 0.00 1.52 -0.00 0.00 -0.00 0.00 0.00 54.13 55.64 1cr8 s LEU 18 Cb 0.00 -4.14 -0.01 0.00 -0.00 0.00 0.00 46.19 42.04 1cr8 s LEU 18 CO 0.00 -2.06 -0.13 0.00 -0.00 0.00 0.00 176.35 174.15 1cr8 s ILE 20 N 0.72 0.99 -0.42 0.00 -5.25 0.01 -4.92 121.20 112.33 1cr8 s ILE 20 Ca -0.06 -1.06 -0.28 0.00 -0.99 0.00 0.00 60.65 58.26 1cr8 s ILE 20 Cb -0.15 -0.93 -0.01 0.00 2.95 0.00 0.00 42.46 44.32 1cr8 s ILE 20 CO 0.02 -0.11 1.63 -2.16 -1.79 0.00 0.00 174.94 172.53 1cr8 s PRO 21 N -1.32 3.32 0.03 0.37 0.04 -1.26 -0.76 135.00 135.42 1cr8 s PRO 21 Ca -0.01 1.04 0.18 0.00 0.04 0.00 0.00 61.00 62.25 1cr8 s PRO 21 Cb -0.08 -4.16 0.75 0.00 0.04 0.00 0.00 34.50 31.05 1cr8 s PRO 21 CO 0.01 -1.88 1.56 -0.11 0.04 0.00 0.00 177.00 176.62 1cr8 n LEU 22 N 10.03 0.08 0.33 -3.56 0.00 -1.26 -0.76 117.00 121.86 1cr8 n LEU 22 Ca 0.19 0.52 0.06 0.00 0.00 0.00 0.00 56.01 56.78 1cr8 n LEU 22 Cb 0.48 -0.50 0.30 0.00 0.00 0.00 0.00 43.42 43.69 1cr8 n LEU 22 CO 0.70 -0.24 1.05 -0.09 0.00 0.00 0.00 177.39 178.80 1cr8 h ARG 23 N 0.00 0.00 -0.18 1.96 2.43 -1.90 -0.64 114.38 116.05 1cr8 h ARG 23 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1cr8 h ARG 23 Cb 0.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1cr8 h ARG 23 CO 0.00 0.00 -0.04 0.91 -1.51 0.00 0.00 179.97 179.33 1cr8 n TRP 24 N -2.64 0.61 0.66 2.20 7.02 0.06 -4.48 117.44 120.86 1cr8 n TRP 24 Ca -0.01 -1.06 -0.01 0.00 -1.02 0.00 0.00 57.50 55.41 1cr8 n TRP 24 Cb 0.78 -0.29 0.06 0.00 -2.42 0.00 0.00 31.31 29.44 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 -0.94 1.52 -0.29 -0.99 5.12 -0.25 -4.31 116.66 116.52 1cr8 n ARG 25 Ca 0.21 -0.53 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 1cr8 n ARG 25 Cb 0.82 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 1cr8 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cr8 n ASP 27 N 0.00 1.61 0.00 0.00 5.75 -1.26 -4.93 116.55 117.72 1cr8 n ASP 27 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1cr8 n ASP 27 Cb 0.34 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.90 1.66 3.76 6.12 0.00 -1.26 -4.88 105.19 112.48 1cr8 n GLY 28 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.25 6.66 -1.24 1.61 -1.08 -1.26 -5.02 116.67 115.09 1cr8 s ASP 29 Ca 0.00 0.78 -0.20 0.00 -0.52 0.00 0.00 52.55 52.61 1cr8 s ASP 29 Cb 0.00 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1cr8 s ASP 29 CO 0.00 0.12 1.81 0.42 0.52 0.00 0.00 175.17 178.04 1cr8 s THR 30 N 0.08 3.87 0.18 1.71 -4.23 -1.26 -4.73 115.64 111.26 1cr8 s THR 30 Ca 0.23 -1.46 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 1cr8 s THR 30 Cb -0.15 -4.93 0.08 0.00 1.34 0.00 0.00 72.50 68.85 1cr8 s THR 30 CO 0.10 -1.59 1.79 0.44 -0.54 0.00 0.00 174.62 174.81 1cr8 h ASP 31 N 8.56 0.74 -4.02 3.99 5.19 -1.93 -3.42 116.42 125.53 1cr8 h ASP 31 Ca 0.34 -0.10 -0.52 0.00 -0.62 0.00 0.00 57.03 56.14 1cr8 h ASP 31 Cb 0.90 -0.19 0.08 0.00 0.18 0.00 0.00 39.33 40.31 1cr8 h ASP 31 CO 1.36 0.63 0.51 0.00 -3.12 0.00 0.00 179.24 178.62 1cr8 h MET 33 N 1.81 0.00 0.00 0.00 4.05 -1.96 -3.33 114.93 115.51 1cr8 h MET 33 Ca -0.50 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1cr8 h MET 33 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1cr8 h MET 33 CO 0.59 0.00 0.00 -3.47 0.23 0.00 0.00 176.91 174.26 1cr8 n ASP 34 N -3.50 0.00 0.00 1.39 -0.08 -1.26 -5.07 116.55 108.03 1cr8 n ASP 34 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1cr8 n ASP 34 Cb 0.88 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.34 1cr8 n ASP 34 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1cr8 n SER 35 N 0.00 0.00 -0.38 1.67 3.41 -1.25 -4.89 113.62 112.17 1cr8 n SER 35 Ca 0.00 -0.33 0.10 0.00 -0.26 0.00 0.00 58.87 58.38 1cr8 n SER 35 Cb 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.15 -0.19 4.04 3.41 -1.26 -1.11 113.62 119.66 1cr8 n SER 36 Ca 0.00 -1.65 -0.12 0.00 -0.26 0.00 0.00 58.87 56.84 1cr8 n SER 36 Cb 0.10 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 1cr8 n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1cr8 h ASP 37 N 1.51 -1.83 0.00 4.04 5.19 -1.89 -3.43 116.42 120.01 1cr8 h ASP 37 Ca 0.00 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1cr8 h ASP 37 Cb 0.33 0.77 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1cr8 h ASP 37 CO 0.00 -0.37 -0.16 -1.84 -3.12 0.00 0.00 179.24 173.74 1cr8 n GLU 38 N -5.37 0.00 0.00 3.56 0.28 -0.46 -4.38 120.64 114.27 1cr8 n GLU 38 Ca -0.02 -0.34 0.00 0.00 -0.16 0.00 0.00 57.16 56.65 1cr8 n GLU 38 Cb 0.33 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 33.03 1cr8 n GLU 38 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1cr8 n LYS 39 N 0.00 0.00 -0.45 3.44 4.76 -0.27 -0.37 118.16 125.27 1cr8 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cr8 n LYS 39 Cb 0.57 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 1cr8 n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1cr8 n SER 40 N -0.55 0.00 -1.81 4.39 2.88 -1.26 -4.91 113.62 112.36 1cr8 n SER 40 Ca 0.00 -1.77 0.02 0.00 -1.33 0.00 0.00 58.87 55.80 1cr8 n SER 40 Cb 0.00 -0.15 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.89 3.66 0.00 0.00 2.02 -1.12 -4.67 118.70 117.71 1cr8 s GLU 42 Ca 0.31 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1cr8 s GLU 42 Cb 0.36 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1cr8 s GLU 42 CO -0.13 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.79 1cr8 n GLY 43 N 0.63 0.91 0.00 -1.39 0.00 -1.26 -5.11 105.19 98.97 1cr8 n GLY 43 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1cr8 n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87