#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 h SER 2 N 0.00 -0.06 0.04 1.61 0.87 -2.11 -3.31 113.55 110.59 2cr8 h SER 2 Ca 0.00 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.28 2cr8 h SER 2 Cb 0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2cr8 h SER 2 CO 0.00 -0.03 -1.62 -0.24 -0.53 0.00 0.00 176.83 174.41 2cr8 n SER 3 N -5.12 1.96 -1.21 6.23 2.88 -1.26 -5.08 113.62 112.02 2cr8 n SER 3 Ca -0.06 0.33 0.14 0.00 -1.33 0.00 0.00 58.87 57.95 2cr8 n SER 3 Cb 0.06 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 62.56 2cr8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr8 n GLY 4 N 1.62 -1.87 3.52 0.46 0.00 -1.25 -4.50 105.19 103.17 2cr8 n GLY 4 Ca -0.34 -0.83 -0.51 0.00 0.00 0.00 0.00 46.02 44.34 2cr8 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cr8 n SER 5 N -4.29 2.43 -4.76 1.61 3.41 -1.26 -4.91 113.62 105.85 2cr8 n SER 5 Ca -0.02 0.57 -0.34 0.00 -0.26 0.00 0.00 58.87 58.82 2cr8 n SER 5 Cb 0.64 -1.28 0.04 0.00 -0.26 0.00 0.00 64.21 63.35 2cr8 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cr8 s SER 6 N 6.42 5.15 0.00 4.04 0.15 -1.26 -4.77 113.70 123.42 2cr8 s SER 6 Ca 1.05 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.84 2cr8 s SER 6 Cb -0.83 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 60.91 2cr8 s SER 6 CO 0.51 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.95 2cr8 n GLY 7 N -0.10 -0.17 2.40 9.45 0.00 -1.26 -4.92 105.19 110.58 2cr8 n GLY 7 Ca 0.11 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2cr8 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cr8 n SER 8 N 0.00 7.16 -0.34 1.61 2.88 -1.26 -4.69 113.62 118.98 2cr8 n SER 8 Ca 0.00 -3.79 0.02 0.00 -1.33 0.00 0.00 58.87 53.77 2cr8 n SER 8 Cb 0.00 -0.88 0.19 0.00 -0.75 0.00 0.00 64.21 62.76 2cr8 n SER 8 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2cr8 h GLU 9 N 2.23 1.13 -7.23 -1.46 -0.00 -1.91 -3.43 114.58 103.91 2cr8 h GLU 9 Ca 0.56 -0.07 -0.49 0.00 -0.00 0.00 0.00 59.36 59.35 2cr8 h GLU 9 Cb 0.78 -0.25 0.04 0.00 -0.00 0.00 0.00 28.75 29.31 2cr8 h GLU 9 CO 1.42 0.75 0.36 0.34 -0.00 0.00 0.00 179.01 181.87 2cr8 s ASP 10 N -6.00 6.39 0.08 3.06 2.15 -1.26 -4.94 116.67 116.15 2cr8 s ASP 10 Ca -0.12 1.41 -0.22 0.00 0.43 0.00 0.00 52.55 54.05 2cr8 s ASP 10 Cb 0.20 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 40.29 2cr8 s ASP 10 CO 0.81 -0.71 0.65 -1.61 -0.17 0.00 0.00 175.17 174.14 2cr8 s GLU 11 N -4.66 4.35 0.26 4.34 2.02 -1.26 -4.57 118.70 119.18 2cr8 s GLU 11 Ca 0.55 0.89 -0.26 0.00 0.02 0.00 0.00 54.97 56.17 2cr8 s GLU 11 Cb -0.11 -3.28 -0.09 0.00 0.10 0.00 0.00 34.13 30.76 2cr8 s GLU 11 CO 0.44 0.54 0.89 1.67 0.02 0.00 0.00 175.26 178.81 2cr8 s TRP 12 N -0.86 3.81 0.31 1.61 1.48 -0.99 -4.72 118.94 119.57 2cr8 s TRP 12 Ca 0.32 1.75 -0.17 0.00 -1.06 0.00 0.00 56.10 56.94 2cr8 s TRP 12 Cb -0.20 -2.88 -0.09 0.00 -1.16 0.00 0.00 33.47 29.14 2cr8 s TRP 12 CO 0.21 0.35 0.76 -1.14 -4.06 0.00 0.00 176.95 173.07 2cr8 s GLN 13 N -1.66 4.11 0.53 3.25 0.74 -1.26 -1.01 119.66 124.36 2cr8 s GLN 13 Ca 0.44 0.79 -0.03 0.00 0.05 0.00 0.00 55.36 56.61 2cr8 s GLN 13 Cb -0.21 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.37 2cr8 s GLN 13 CO 0.26 0.20 0.80 0.00 -0.55 0.00 0.00 175.29 176.00 2cr8 n THR 15 N -2.36 1.08 0.00 0.00 5.66 -1.26 -3.60 114.28 113.80 2cr8 n THR 15 Ca 0.03 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 2cr8 n THR 15 Cb 0.57 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 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 -2.64 0.00 0.06 1.09 4.71 -1.26 -4.44 120.64 118.16 2cr8 n GLU 16 Ca -0.27 0.47 -0.01 0.00 -0.01 0.00 0.00 57.16 57.34 2cr8 n GLU 16 Cb 0.99 -1.07 -0.07 0.00 -1.01 0.00 0.00 31.44 30.29 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cr8 n LYS 18 N -3.06 -3.15 -4.04 0.00 4.76 -1.24 -5.01 118.16 106.43 2cr8 n LYS 18 Ca -0.06 0.49 -0.27 0.00 -2.87 0.00 0.00 58.31 55.60 2cr8 n LYS 18 Cb 0.85 -4.32 -0.17 0.00 -1.84 0.00 0.00 35.03 29.55 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 -4.52 1.76 0.04 1.97 2.47 -1.26 -4.73 119.74 115.48 2cr8 s LYS 19 Ca 0.07 -0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 53.83 2cr8 s LYS 19 Cb -0.01 -1.70 -0.15 0.00 -1.46 0.00 0.00 37.83 34.50 2cr8 s LYS 19 CO 0.42 -0.22 0.74 1.19 0.16 0.00 0.00 175.35 177.64 2cr8 n PHE 20 N 4.74 0.27 -4.30 4.03 3.72 -1.26 -3.99 117.46 120.67 2cr8 n PHE 20 Ca -0.15 0.83 -0.20 0.00 -0.05 0.00 0.00 57.45 57.88 2cr8 n PHE 20 Cb 0.50 -1.65 -0.13 0.00 -0.94 0.00 0.00 39.48 37.27 2cr8 n PHE 20 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2cr8 s ASN 21 N -0.22 1.86 0.37 4.37 -0.87 -0.18 -4.96 114.94 115.31 2cr8 s ASN 21 Ca 0.67 -0.56 -0.26 0.00 -1.57 0.00 0.00 52.86 51.15 2cr8 s ASN 21 Cb -0.94 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.25 40.07 2cr8 s ASN 21 CO 0.45 0.01 1.04 -1.20 -2.57 0.00 0.00 177.10 174.83 2cr8 n SER 22 N 1.54 1.42 -0.03 -1.22 7.64 -1.26 -2.36 113.62 119.36 2cr8 n SER 22 Ca -0.19 1.10 -0.09 0.00 1.01 0.00 0.00 58.87 60.70 2cr8 n SER 22 Cb 0.54 -1.34 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 2cr8 n SER 22 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cr8 h PRO 23 N 1.80 0.63 -0.60 1.43 0.13 -1.83 -3.17 132.00 130.39 2cr8 h PRO 23 Ca -0.43 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 64.32 2cr8 h PRO 23 Cb 1.33 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2cr8 h PRO 23 CO 0.59 0.94 0.20 1.03 -0.23 0.00 0.00 178.00 180.52 2cr8 h SER 24 N 0.52 0.86 -4.01 1.44 0.87 -1.90 -3.43 113.55 107.90 2cr8 h SER 24 Ca 0.04 -0.20 -0.53 0.00 -1.23 0.00 0.00 61.79 59.88 2cr8 h SER 24 Cb 0.94 -0.23 0.09 0.00 -0.44 0.00 0.00 62.40 62.77 2cr8 h SER 24 CO 0.09 0.83 0.55 -0.54 -0.53 0.00 0.00 176.83 177.23 2cr8 s LYS 25 N -5.44 3.59 -0.18 2.24 1.02 -1.20 -4.98 119.74 114.79 2cr8 s LYS 25 Ca -0.13 2.01 -0.18 0.00 0.02 0.00 0.00 55.97 57.69 2cr8 s LYS 25 Cb 0.13 -2.43 -0.15 0.00 -0.52 0.00 0.00 37.83 34.86 2cr8 s LYS 25 CO 0.81 -0.76 0.17 0.07 -0.92 0.00 0.00 175.35 174.71 2cr8 h ARG 26 N 1.98 0.00 -6.77 1.68 0.11 -1.85 -3.47 114.38 106.06 2cr8 h ARG 26 Ca -0.50 0.00 -0.44 0.00 0.10 0.00 0.00 59.98 59.14 2cr8 h ARG 26 Cb 1.27 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.39 2cr8 h ARG 26 CO 0.60 0.72 -0.07 1.52 0.10 0.00 0.00 179.97 182.84 2cr8 s TYR 27 N -2.29 2.89 -0.17 4.08 1.13 -1.26 -2.49 117.35 119.25 2cr8 s TYR 27 Ca -0.23 -0.04 -0.27 0.00 -1.41 0.00 0.00 57.07 55.11 2cr8 s TYR 27 Cb 0.04 -2.65 -0.01 0.00 -1.10 0.00 0.00 41.96 38.24 2cr8 s TYR 27 CO 0.49 -0.75 0.94 0.00 -2.51 0.00 0.00 175.55 173.71 2cr8 n PHE 29 N 5.44 0.48 0.00 0.00 7.35 -1.26 -0.99 117.46 128.49 2cr8 n PHE 29 Ca 0.08 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 55.87 2cr8 n PHE 29 Cb 0.48 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.86 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 0.52 0.18 -0.15 -4.13 3.00 -1.26 -4.88 116.66 109.94 2cr8 n ARG 30 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.96 2cr8 n ARG 30 Cb 0.63 -0.64 0.03 0.00 0.00 0.00 0.00 32.46 32.48 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 -0.40 -1.95 -3.24 0.00 8.01 -0.16 -4.90 117.44 114.81 2cr8 n TRP 32 Ca 0.03 0.83 -0.46 0.00 -1.31 0.00 0.00 57.50 56.60 2cr8 n TRP 32 Cb 0.53 -3.57 -0.03 0.00 -2.01 0.00 0.00 31.31 26.22 2cr8 n TRP 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2cr8 s ALA 33 N -3.43 3.81 0.27 6.99 0.00 -1.23 -4.79 121.76 123.38 2cr8 s ALA 33 Ca 0.54 -2.94 -0.30 0.00 0.00 0.00 0.00 51.96 49.26 2cr8 s ALA 33 Cb -0.28 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.15 2cr8 s ALA 33 CO 0.88 -2.34 1.21 1.28 0.00 0.00 0.00 175.76 176.79 2cr8 n LEU 34 N 4.91 2.56 -4.66 0.00 4.32 -1.26 -1.97 117.00 120.90 2cr8 n LEU 34 Ca 0.07 1.17 -0.43 0.00 -0.02 0.00 0.00 56.01 56.80 2cr8 n LEU 34 Cb 0.45 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 40.86 2cr8 n LEU 34 CO 0.43 -0.90 1.17 0.00 -1.22 0.00 0.00 177.39 176.87 2cr8 s ARG 35 N -1.16 4.21 1.03 3.23 1.70 -1.04 -4.89 118.95 122.04 2cr8 s ARG 35 Ca 0.62 1.82 -0.14 0.00 -0.47 0.00 0.00 55.73 57.56 2cr8 s ARG 35 Cb -0.67 -3.84 0.13 0.00 -0.57 0.00 0.00 34.95 30.00 2cr8 s ARG 35 CO 0.57 -0.76 0.60 1.63 -1.08 0.00 0.00 175.30 176.26 2cr8 n LYS 36 N 6.79 -1.12 -0.06 3.89 4.76 -1.26 -4.91 118.16 126.24 2cr8 n LYS 36 Ca 0.15 -0.29 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 2cr8 n LYS 36 Cb 0.44 -2.00 -0.04 0.00 -1.84 0.00 0.00 35.03 31.59 2cr8 n LYS 36 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2cr8 h ASP 37 N -2.01 0.27 -2.29 4.39 3.32 -2.02 -3.41 116.42 114.67 2cr8 h ASP 37 Ca -0.50 -0.11 -0.57 0.00 0.02 0.00 0.00 57.03 55.87 2cr8 h ASP 37 Cb 1.31 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2cr8 h ASP 37 CO 0.40 0.31 1.36 0.26 -1.72 0.00 0.00 179.24 179.84 2cr8 s TRP 38 N -5.75 1.44 0.05 4.55 0.23 -1.26 -4.87 118.94 113.32 2cr8 s TRP 38 Ca -0.13 0.38 -0.18 0.00 -2.03 0.00 0.00 56.10 54.13 2cr8 s TRP 38 Cb 0.08 -4.03 -0.17 0.00 0.03 0.00 0.00 33.47 29.38 2cr8 s TRP 38 CO 0.70 -3.98 1.26 1.88 0.96 0.00 0.00 176.95 177.77 2cr8 h TYR 39 N 13.26 0.66 -1.96 -1.98 0.05 -1.99 -3.45 116.97 121.56 2cr8 h TYR 39 Ca -0.40 -0.27 -0.51 0.00 0.05 0.00 0.00 58.73 57.60 2cr8 h TYR 39 Cb 1.21 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.80 2cr8 h TYR 39 CO 0.94 1.02 -0.49 -1.12 -1.05 0.00 0.00 178.16 177.47 2cr8 s SER 40 N -6.57 5.25 -0.10 3.88 0.01 -1.26 -5.06 113.70 109.86 2cr8 s SER 40 Ca -0.13 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 56.64 2cr8 s SER 40 Cb 0.06 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 2cr8 s SER 40 CO 0.81 -0.25 -0.10 -0.90 0.41 0.00 0.00 173.24 173.21 2cr8 n ASP 41 N -1.28 1.99 -4.59 2.44 5.68 -1.26 -4.99 116.55 114.54 2cr8 n ASP 41 Ca -0.04 0.04 -0.55 0.00 -0.50 0.00 0.00 54.79 53.74 2cr8 n ASP 41 Cb 0.59 -0.22 -0.07 0.00 -1.14 0.00 0.00 41.12 40.28 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 5.00 -0.02 0.07 0.00 0.01 -1.26 -5.10 113.70 112.40 2cr8 s SER 43 Ca 1.04 -0.70 -0.31 0.00 1.31 0.00 0.00 55.95 57.29 2cr8 s SER 43 Cb -1.02 0.44 -0.08 0.00 0.21 0.00 0.00 66.02 65.57 2cr8 s SER 43 CO 0.60 -0.88 1.59 -0.75 0.41 0.00 0.00 173.24 174.21 2cr8 s LYS 44 N -3.91 4.22 -1.30 12.44 2.36 -1.26 -2.64 119.74 129.65 2cr8 s LYS 44 Ca 0.12 2.26 -0.05 0.00 -2.55 0.00 0.00 55.97 55.75 2cr8 s LYS 44 Cb 0.03 -3.52 0.01 0.00 -1.05 0.00 0.00 37.83 33.29 2cr8 s LYS 44 CO -0.04 -0.68 1.11 1.28 1.55 0.00 0.00 175.35 178.57 2cr8 n LEU 45 N 5.27 -3.65 -3.81 5.43 4.77 -1.26 -4.84 117.00 118.90 2cr8 n LEU 45 Ca 0.15 -0.58 -0.44 0.00 -0.03 0.00 0.00 56.01 55.11 2cr8 n LEU 45 Cb 0.41 -3.07 -0.04 0.00 -2.33 0.00 0.00 43.42 38.39 2cr8 n LEU 45 CO 0.62 0.54 0.14 0.35 -1.33 0.00 0.00 177.39 177.71 2cr8 n THR 46 N -4.65 1.20 -1.55 -5.08 -2.24 -1.08 -4.65 114.28 96.23 2cr8 n THR 46 Ca -0.11 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 2cr8 n THR 46 Cb 0.61 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2cr8 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr8 n HIS 47 N 0.39 1.47 -1.92 4.78 1.44 -1.26 -4.92 115.22 115.20 2cr8 n HIS 47 Ca 0.16 0.10 -0.36 0.00 -2.01 0.00 0.00 57.72 55.60 2cr8 n HIS 47 Cb 0.17 -2.64 0.04 0.00 0.12 0.00 0.00 29.99 27.68 2cr8 n HIS 47 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2cr8 s SER 48 N 11.74 5.01 0.00 4.39 0.01 -1.26 -5.03 113.70 128.56 2cr8 s SER 48 Ca 0.99 2.49 0.00 0.00 1.31 0.00 0.00 55.95 60.74 2cr8 s SER 48 Cb -0.22 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2cr8 s SER 48 CO 0.28 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.82 2cr8 n GLY 49 N 0.65 6.37 3.77 3.44 0.00 -1.26 -5.13 105.19 113.02 2cr8 n GLY 49 Ca 0.14 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 1.25 3.96 0.05 1.61 0.04 -1.26 -5.06 135.00 135.59 2cr8 s PRO 50 Ca 0.00 1.85 0.03 0.00 0.04 0.00 0.00 61.00 62.93 2cr8 s PRO 50 Cb 0.00 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 2cr8 s PRO 50 CO 0.00 -0.40 -0.10 -1.54 0.04 0.00 0.00 177.00 175.00 2cr8 s SER 51 N -1.16 1.16 -0.20 6.66 1.04 -1.26 -5.15 113.70 114.80 2cr8 s SER 51 Ca 0.59 -0.55 -0.28 0.00 0.48 0.00 0.00 55.95 56.18 2cr8 s SER 51 Cb -0.31 -0.00 0.11 0.00 0.10 0.00 0.00 66.02 65.92 2cr8 s SER 51 CO 0.38 -0.14 0.94 -0.55 0.98 0.00 0.00 173.24 174.85 2cr8 s SER 52 N -1.57 -0.48 0.00 7.02 0.15 -1.26 -5.36 113.70 112.21 2cr8 s SER 52 Ca -0.06 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2cr8 s SER 52 Cb -0.10 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2cr8 s SER 52 CO 0.01 -0.31 0.36 0.61 1.20 0.00 0.00 173.24 175.11