#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 n SER 2 N 0.00 0.77 -3.72 1.61 7.64 -1.26 -4.93 113.62 113.74 2cr8 n SER 2 Ca 0.00 1.10 -0.10 0.00 1.01 0.00 0.00 58.87 60.88 2cr8 n SER 2 Cb 0.00 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.32 2cr8 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr8 s SER 3 N 1.92 -0.15 0.00 6.43 0.01 -1.26 -5.09 113.70 115.56 2cr8 s SER 3 Ca 0.93 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2cr8 s SER 3 Cb -1.33 0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2cr8 s SER 3 CO 0.69 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2cr8 n GLY 4 N -0.21 -1.89 3.56 3.44 0.00 -1.26 -5.05 105.19 103.77 2cr8 n GLY 4 Ca -0.14 0.50 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 2cr8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr8 s SER 5 N -0.75 4.03 0.02 1.61 0.01 -1.26 -4.80 113.70 112.57 2cr8 s SER 5 Ca 0.00 0.25 -0.25 0.00 1.31 0.00 0.00 55.95 57.26 2cr8 s SER 5 Cb 0.00 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.55 2cr8 s SER 5 CO 0.00 -3.65 1.16 0.28 0.41 0.00 0.00 173.24 171.44 2cr8 h SER 6 N 14.15 -0.78 -5.24 2.44 0.02 -1.97 -3.49 113.55 118.69 2cr8 h SER 6 Ca -0.05 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2cr8 h SER 6 Cb 1.06 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 2cr8 h SER 6 CO 1.04 -0.46 0.44 -0.83 -1.14 0.00 0.00 176.83 175.89 2cr8 s GLY 7 N -2.18 0.07 0.16 -3.77 0.00 -1.26 -5.05 107.32 95.29 2cr8 s GLY 7 Ca -0.13 -0.33 -0.27 0.00 0.00 0.00 0.00 44.72 43.99 2cr8 s GLY 7 CO 0.40 0.85 1.57 0.23 0.00 0.00 0.00 173.10 176.15 2cr8 h SER 8 N 2.00 -1.49 -2.48 1.64 0.87 -2.03 -3.38 113.55 108.67 2cr8 h SER 8 Ca -0.27 0.23 -0.53 0.00 -1.23 0.00 0.00 61.79 59.99 2cr8 h SER 8 Cb 1.23 0.66 0.03 0.00 -0.44 0.00 0.00 62.40 63.88 2cr8 h SER 8 CO 0.33 -0.35 1.16 -0.70 -0.53 0.00 0.00 176.83 176.74 2cr8 s GLU 9 N -5.83 4.15 -0.38 2.24 2.12 -1.26 -4.96 118.70 114.77 2cr8 s GLU 9 Ca -0.14 2.55 0.01 0.00 0.36 0.00 0.00 54.97 57.75 2cr8 s GLU 9 Cb 0.12 -3.88 0.12 0.00 0.26 0.00 0.00 34.13 30.76 2cr8 s GLU 9 CO 0.66 -0.89 0.18 -0.51 -0.54 0.00 0.00 175.26 174.16 2cr8 s ASP 10 N 3.51 3.79 0.44 -1.70 1.11 -1.26 -4.97 116.67 117.59 2cr8 s ASP 10 Ca 0.83 -2.22 -0.23 0.00 0.18 0.00 0.00 52.55 51.12 2cr8 s ASP 10 Cb -0.43 -0.96 -0.10 0.00 1.07 0.00 0.00 42.92 42.50 2cr8 s ASP 10 CO 0.38 -0.33 0.86 -0.62 1.18 0.00 0.00 175.17 176.64 2cr8 n GLU 11 N 4.09 1.06 -3.40 8.23 1.02 -1.26 -4.77 120.64 125.60 2cr8 n GLU 11 Ca 0.05 0.38 -0.37 0.00 -0.02 0.00 0.00 57.16 57.20 2cr8 n GLU 11 Cb 0.38 -1.89 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 2cr8 n GLU 11 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2cr8 s TRP 12 N -1.36 3.46 0.54 -0.32 1.48 -0.80 -4.84 118.94 117.10 2cr8 s TRP 12 Ca 0.65 0.73 -0.19 0.00 -1.06 0.00 0.00 56.10 56.23 2cr8 s TRP 12 Cb -0.55 -2.48 -0.06 0.00 -1.16 0.00 0.00 33.47 29.22 2cr8 s TRP 12 CO 0.56 0.14 1.07 -1.14 -4.06 0.00 0.00 176.95 173.52 2cr8 s GLN 13 N 0.76 3.50 -0.13 3.25 2.00 -1.26 -2.49 119.66 125.28 2cr8 s GLN 13 Ca 0.21 1.39 -0.17 0.00 -2.00 0.00 0.00 55.36 54.79 2cr8 s GLN 13 Cb -0.14 -2.05 -0.04 0.00 0.80 0.00 0.00 33.01 31.58 2cr8 s GLN 13 CO 0.08 -0.69 0.45 0.00 -0.50 0.00 0.00 175.29 174.63 2cr8 n THR 15 N 3.72 0.49 0.00 0.00 5.66 -1.26 -0.36 114.28 122.53 2cr8 n THR 15 Ca -0.08 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 2cr8 n THR 15 Cb 0.52 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cr8 n GLU 16 N 0.11 0.00 -0.31 1.09 -0.58 -1.26 -4.89 120.64 114.80 2cr8 n GLU 16 Ca 0.04 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.81 2cr8 n GLU 16 Cb 0.41 -0.59 0.04 0.00 -0.57 0.00 0.00 31.44 30.74 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cr8 n LYS 18 N -0.46 -0.85 -3.56 0.00 4.76 0.51 -4.85 118.16 113.71 2cr8 n LYS 18 Ca 0.05 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 2cr8 n LYS 18 Cb 0.65 -3.23 -0.11 0.00 -1.84 0.00 0.00 35.03 30.50 2cr8 n LYS 18 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2cr8 s LYS 19 N -6.00 3.95 0.04 1.97 2.47 -1.26 -4.58 119.74 116.33 2cr8 s LYS 19 Ca 0.37 -0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 54.21 2cr8 s LYS 19 Cb -0.22 -3.66 -0.08 0.00 -1.46 0.00 0.00 37.83 32.42 2cr8 s LYS 19 CO 0.77 -0.20 1.65 -0.06 0.16 0.00 0.00 175.35 177.67 2cr8 s PHE 20 N 1.81 2.30 0.10 4.03 0.08 -1.26 -3.15 117.98 121.89 2cr8 s PHE 20 Ca 0.08 0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.49 2cr8 s PHE 20 Cb -0.16 -3.95 -0.03 0.00 -0.57 0.00 0.00 43.02 38.31 2cr8 s PHE 20 CO 0.11 -3.85 -0.16 -0.80 -0.10 0.00 0.00 175.22 170.42 2cr8 s ASN 21 N 2.66 2.09 0.34 1.36 0.01 -1.04 -4.96 114.94 115.41 2cr8 s ASN 21 Ca 0.74 -0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 51.89 2cr8 s ASN 21 Cb -0.38 -0.09 -0.11 0.00 0.41 0.00 0.00 41.25 41.09 2cr8 s ASN 21 CO 0.32 -0.06 1.40 -0.94 -1.51 0.00 0.00 177.10 176.32 2cr8 s SER 22 N -2.07 6.57 0.00 -1.22 1.04 -1.26 -1.91 113.70 114.85 2cr8 s SER 22 Ca 0.05 2.85 0.09 0.00 0.48 0.00 0.00 55.95 59.42 2cr8 s SER 22 Cb -0.08 -2.65 0.55 0.00 0.10 0.00 0.00 66.02 63.94 2cr8 s SER 22 CO 0.03 -0.71 0.99 -0.81 0.98 0.00 0.00 173.24 173.73 2cr8 n PRO 23 N 0.84 0.49 -0.07 4.02 -0.04 -1.26 -2.40 135.00 136.57 2cr8 n PRO 23 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2cr8 n PRO 23 Cb 0.40 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr8 n SER 24 N -0.80 2.07 -0.17 3.54 2.88 -1.26 -4.58 113.62 115.31 2cr8 n SER 24 Ca 0.07 -0.02 -0.07 0.00 -1.33 0.00 0.00 58.87 57.51 2cr8 n SER 24 Cb 0.03 0.52 0.02 0.00 -0.75 0.00 0.00 64.21 64.03 2cr8 n SER 24 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2cr8 h LYS 25 N 0.00 0.68 -1.46 -1.46 1.79 -1.86 -3.46 116.57 110.80 2cr8 h LYS 25 Ca -0.35 -0.06 -0.31 0.00 -2.18 0.00 0.00 60.65 57.75 2cr8 h LYS 25 Cb 1.73 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 32.17 2cr8 h LYS 25 CO -0.00 0.49 -0.34 -2.13 -1.08 0.00 0.00 179.45 176.39 2cr8 n ARG 26 N -4.69 -1.14 -3.64 3.15 0.63 -1.24 -4.96 116.66 104.76 2cr8 n ARG 26 Ca 0.02 0.89 -0.04 0.00 -0.92 0.00 0.00 57.85 57.80 2cr8 n ARG 26 Cb 0.06 -5.14 -0.07 0.00 0.45 0.00 0.00 32.46 27.76 2cr8 n ARG 26 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2cr8 s TYR 27 N -2.67 -0.79 -0.26 -0.14 2.02 -1.26 -4.05 117.35 110.20 2cr8 s TYR 27 Ca 0.00 1.58 -0.29 0.00 -0.37 0.00 0.00 57.07 57.99 2cr8 s TYR 27 Cb 0.00 0.47 0.01 0.00 -0.40 0.00 0.00 41.96 42.05 2cr8 s TYR 27 CO 0.00 -0.39 1.05 0.00 -1.57 0.00 0.00 175.55 174.64 2cr8 n PHE 29 N 6.50 0.53 0.00 0.00 7.35 -1.26 -1.12 117.46 129.45 2cr8 n PHE 29 Ca 0.12 -0.70 0.00 0.00 -0.76 0.00 0.00 57.45 56.11 2cr8 n PHE 29 Cb 0.46 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.93 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2cr8 n ARG 30 N 0.20 0.00 -0.03 -4.13 3.00 -1.26 -4.85 116.66 109.59 2cr8 n ARG 30 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.96 2cr8 n ARG 30 Cb 0.69 -0.64 0.01 0.00 0.00 0.00 0.00 32.46 32.51 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cr8 n TRP 32 N -0.31 -1.94 -3.98 0.00 7.02 -0.27 -4.96 117.44 112.99 2cr8 n TRP 32 Ca 0.01 0.68 -0.30 0.00 -1.02 0.00 0.00 57.50 56.87 2cr8 n TRP 32 Cb 0.40 -3.91 -0.14 0.00 -2.42 0.00 0.00 31.31 25.24 2cr8 n TRP 32 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2cr8 s ALA 33 N -3.60 3.08 0.34 6.99 0.00 -1.24 -4.89 121.76 122.44 2cr8 s ALA 33 Ca 0.24 -2.89 -0.29 0.00 0.00 0.00 0.00 51.96 49.02 2cr8 s ALA 33 Cb -0.07 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 2cr8 s ALA 33 CO 0.83 -1.85 1.42 -0.48 0.00 0.00 0.00 175.76 175.68 2cr8 s LEU 34 N 0.32 4.37 0.28 0.00 2.34 -1.26 -3.49 118.68 121.23 2cr8 s LEU 34 Ca 0.14 2.86 -0.29 0.00 0.06 0.00 0.00 54.13 56.91 2cr8 s LEU 34 Cb -0.22 -3.65 -0.14 0.00 -0.56 0.00 0.00 46.19 41.61 2cr8 s LEU 34 CO -0.04 -0.73 1.06 -2.11 -1.06 0.00 0.00 176.35 173.46 2cr8 n ARG 35 N 0.94 1.40 -3.71 1.48 1.85 -1.26 -4.94 116.66 112.44 2cr8 n ARG 35 Ca 0.02 0.49 -0.35 0.00 -1.00 0.00 0.00 57.85 57.01 2cr8 n ARG 35 Cb 0.40 -1.90 -0.09 0.00 -1.05 0.00 0.00 32.46 29.83 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2cr8 s LYS 36 N -1.41 2.85 0.11 2.89 1.02 -1.26 -4.91 119.74 119.03 2cr8 s LYS 36 Ca 0.60 -2.94 -0.15 0.00 0.02 0.00 0.00 55.97 53.50 2cr8 s LYS 36 Cb -0.71 -3.79 -0.06 0.00 -0.52 0.00 0.00 37.83 32.76 2cr8 s LYS 36 CO 0.59 -1.22 1.50 0.22 -0.92 0.00 0.00 175.35 175.51 2cr8 h ASP 37 N 6.41 0.67 0.46 2.83 1.82 -2.03 -3.30 116.42 123.27 2cr8 h ASP 37 Ca 0.07 -0.38 -0.02 0.00 -0.39 0.00 0.00 57.03 56.32 2cr8 h ASP 37 Cb 0.87 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 2cr8 h ASP 37 CO 0.77 0.89 -0.31 -0.50 -1.61 0.00 0.00 179.24 178.48 2cr8 h TRP 38 N 0.43 -0.84 -0.26 0.28 -0.00 -1.90 -3.41 115.95 110.25 2cr8 h TRP 38 Ca 0.08 -0.00 -0.70 0.00 -0.00 0.00 0.00 58.89 58.27 2cr8 h TRP 38 Cb 0.62 0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 30.04 2cr8 h TRP 38 CO 0.05 -0.45 1.42 0.66 -0.00 0.00 0.00 178.44 180.12 2cr8 n TYR 39 N -4.30 1.15 -3.57 0.49 4.02 -1.25 -4.91 117.16 108.81 2cr8 n TYR 39 Ca -0.09 0.59 -0.20 0.00 -0.01 0.00 0.00 57.90 58.19 2cr8 n TYR 39 Cb 0.31 -2.36 -0.02 0.00 -0.02 0.00 0.00 39.34 37.25 2cr8 n TYR 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2cr8 s SER 40 N 6.95 5.54 -0.07 7.72 0.15 -1.26 -4.99 113.70 127.74 2cr8 s SER 40 Ca 1.20 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 57.39 2cr8 s SER 40 Cb -1.29 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2cr8 s SER 40 CO 0.59 -0.47 -0.11 -0.90 1.20 0.00 0.00 173.24 173.55 2cr8 n ASP 41 N -1.54 0.79 -0.34 5.45 5.68 -1.26 -4.66 116.55 120.66 2cr8 n ASP 41 Ca 0.01 0.13 0.33 0.00 -0.50 0.00 0.00 54.79 54.75 2cr8 n ASP 41 Cb 0.59 -0.31 0.59 0.00 -1.14 0.00 0.00 41.12 40.86 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cr8 s SER 43 N -4.49 -0.54 -0.11 0.00 0.15 -1.26 -5.05 113.70 102.40 2cr8 s SER 43 Ca -0.09 1.01 0.17 0.00 0.70 0.00 0.00 55.95 57.74 2cr8 s SER 43 Cb 0.33 1.06 0.38 0.00 -1.71 0.00 0.00 66.02 66.08 2cr8 s SER 43 CO 0.77 -0.17 1.18 2.29 1.20 0.00 0.00 173.24 178.51 2cr8 n LYS 44 N 2.61 0.85 -2.49 5.44 -0.00 -1.26 -4.67 118.16 118.64 2cr8 n LYS 44 Ca -0.14 -2.59 -0.23 0.00 -0.00 0.00 0.00 58.31 55.35 2cr8 n LYS 44 Cb 0.56 -0.92 0.08 0.00 -0.00 0.00 0.00 35.03 34.75 2cr8 n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2cr8 s LEU 45 N -1.76 3.04 -1.06 -5.58 1.43 -1.26 -3.85 118.68 109.63 2cr8 s LEU 45 Ca 0.33 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2cr8 s LEU 45 Cb 0.34 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2cr8 s LEU 45 CO -0.09 -1.59 0.93 0.41 0.23 0.00 0.00 176.35 176.23 2cr8 n THR 46 N -2.72 -2.39 -3.80 5.49 -1.04 -1.26 -2.61 114.28 105.95 2cr8 n THR 46 Ca 0.11 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.84 2cr8 n THR 46 Cb 0.60 -3.47 0.04 0.00 -1.82 0.00 0.00 70.33 65.68 2cr8 n THR 46 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2cr8 n HIS 47 N -4.45 -2.36 -1.86 -1.42 8.25 -1.26 -4.83 115.22 107.29 2cr8 n HIS 47 Ca 0.00 0.92 -0.30 0.00 -0.26 0.00 0.00 57.72 58.08 2cr8 n HIS 47 Cb 0.55 -4.31 -0.04 0.00 1.12 0.00 0.00 29.99 27.30 2cr8 n HIS 47 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2cr8 s SER 48 N -3.52 4.82 0.00 0.41 0.15 -1.07 -4.48 113.70 110.00 2cr8 s SER 48 Ca 0.52 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2cr8 s SER 48 Cb -0.25 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2cr8 s SER 48 CO 0.80 -2.86 0.00 0.61 1.20 0.00 0.00 173.24 172.99 2cr8 n GLY 49 N 6.30 -0.31 3.77 9.45 0.00 -1.26 -4.86 105.19 118.28 2cr8 n GLY 49 Ca 0.34 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 2cr8 n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr8 s PRO 50 N 0.76 3.39 -0.23 1.61 0.04 -1.26 -4.81 135.00 134.50 2cr8 s PRO 50 Ca 0.00 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 2cr8 s PRO 50 Cb 0.00 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2cr8 s PRO 50 CO 0.00 -0.82 -0.24 -1.13 0.04 0.00 0.00 177.00 174.85 2cr8 n SER 51 N -1.23 1.92 -4.68 6.66 3.41 -1.26 -4.91 113.62 113.54 2cr8 n SER 51 Ca 0.11 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 2cr8 n SER 51 Cb 0.51 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 2cr8 n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr8 s SER 52 N -6.80 6.67 0.00 4.04 0.01 -1.26 -5.27 113.70 111.09 2cr8 s SER 52 Ca -0.32 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2cr8 s SER 52 Cb 0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2cr8 s SER 52 CO 0.46 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.85