#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 -4.35 -3.67 1.61 2.88 -1.26 -5.02 113.62 103.81 2cr8 n SER 2 Ca 0.00 -0.40 -0.10 0.00 -1.33 0.00 0.00 58.87 57.04 2cr8 n SER 2 Cb 0.00 -3.75 -0.04 0.00 -0.75 0.00 0.00 64.21 59.68 2cr8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr8 s SER 3 N -3.42 -0.30 -1.15 -3.46 0.15 -1.26 -5.09 113.70 99.17 2cr8 s SER 3 Ca 0.31 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 2cr8 s SER 3 Cb -0.14 0.57 0.25 0.00 -1.71 0.00 0.00 66.02 64.99 2cr8 s SER 3 CO 0.52 -1.01 1.33 0.61 1.20 0.00 0.00 173.24 175.89 2cr8 n GLY 4 N -0.33 4.27 2.50 9.45 0.00 -1.26 -4.72 105.19 115.10 2cr8 n GLY 4 Ca -0.12 -2.44 -0.12 0.00 0.00 0.00 0.00 46.02 43.34 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 3.16 3.03 -4.28 1.61 3.41 -1.26 -5.04 113.62 114.25 2cr8 n SER 5 Ca 0.29 -2.86 -0.36 0.00 -0.26 0.00 0.00 58.87 55.68 2cr8 n SER 5 Cb 0.38 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 2cr8 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr8 s SER 6 N -3.63 4.66 0.00 4.04 0.01 -1.26 -5.01 113.70 112.50 2cr8 s SER 6 Ca 0.37 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2cr8 s SER 6 Cb 0.37 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.84 2cr8 s SER 6 CO -0.02 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2cr8 n GLY 7 N 4.77 3.63 3.64 3.44 0.00 -1.26 -5.18 105.19 114.23 2cr8 n GLY 7 Ca -0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 2cr8 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr8 s SER 8 N 1.44 -0.37 0.58 1.61 1.04 -1.26 -5.15 113.70 111.59 2cr8 s SER 8 Ca 0.00 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 56.99 2cr8 s SER 8 Cb 0.00 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.72 2cr8 s SER 8 CO 0.00 -0.12 -0.32 -0.62 0.98 0.00 0.00 173.24 173.16 2cr8 n GLU 9 N 2.12 0.00 -2.39 4.02 4.71 -1.26 -4.74 120.64 123.10 2cr8 n GLU 9 Ca -0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.62 2cr8 n GLU 9 Cb 0.56 -0.86 -0.03 0.00 -1.01 0.00 0.00 31.44 30.10 2cr8 n GLU 9 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2cr8 s ASP 10 N -0.86 6.07 0.63 1.62 1.47 -1.26 -4.97 116.67 119.36 2cr8 s ASP 10 Ca 0.44 0.18 -0.05 0.00 1.18 0.00 0.00 52.55 54.30 2cr8 s ASP 10 Cb -0.33 -2.55 0.03 0.00 -0.34 0.00 0.00 42.92 39.73 2cr8 s ASP 10 CO 0.62 -1.78 0.93 -1.61 0.68 0.00 0.00 175.17 174.01 2cr8 s GLU 11 N 5.66 2.60 -0.17 2.11 2.02 -1.26 -4.48 118.70 125.18 2cr8 s GLU 11 Ca 0.51 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 55.27 2cr8 s GLU 11 Cb -0.10 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2cr8 s GLU 11 CO 0.23 -0.91 -0.04 1.67 0.02 0.00 0.00 175.26 176.24 2cr8 s TRP 12 N -3.06 3.01 0.66 1.61 1.48 -1.14 -4.95 118.94 116.54 2cr8 s TRP 12 Ca 0.57 -0.40 -0.15 0.00 -1.06 0.00 0.00 56.10 55.05 2cr8 s TRP 12 Cb -0.11 -1.99 -0.00 0.00 -1.16 0.00 0.00 33.47 30.21 2cr8 s TRP 12 CO 0.44 -0.13 1.11 -1.14 -4.06 0.00 0.00 176.95 173.17 2cr8 s GLN 13 N 0.59 2.81 0.42 3.25 2.00 -1.26 -2.74 119.66 124.73 2cr8 s GLN 13 Ca -0.03 1.37 0.02 0.00 -2.00 0.00 0.00 55.36 54.72 2cr8 s GLN 13 Cb -0.14 -1.95 -0.00 0.00 0.80 0.00 0.00 33.01 31.71 2cr8 s GLN 13 CO 0.02 -1.24 0.61 0.00 -0.50 0.00 0.00 175.29 174.19 2cr8 n THR 15 N -1.95 0.89 -0.01 0.00 -2.24 -1.26 -3.57 114.28 106.14 2cr8 n THR 15 Ca 0.01 -0.65 -0.01 0.00 -2.27 0.00 0.00 64.05 61.13 2cr8 n THR 15 Cb 0.58 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2cr8 h GLU 16 N 0.00 0.00 -0.58 -0.78 3.07 -1.96 -3.40 114.58 110.92 2cr8 h GLU 16 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 2cr8 h GLU 16 Cb 1.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 2cr8 h GLU 16 CO 0.02 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.63 2cr8 n LYS 18 N 1.37 -2.31 -2.72 0.00 4.01 -1.23 -4.83 118.16 112.45 2cr8 n LYS 18 Ca 0.21 0.03 -0.42 0.00 -0.51 0.00 0.00 58.31 57.62 2cr8 n LYS 18 Cb 0.55 -4.37 -0.03 0.00 -0.51 0.00 0.00 35.03 30.67 2cr8 n LYS 18 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2cr8 s LYS 19 N -4.01 4.43 -0.17 1.97 2.47 -1.26 -4.20 119.74 118.96 2cr8 s LYS 19 Ca 0.00 1.35 -0.29 0.00 -1.56 0.00 0.00 55.97 55.47 2cr8 s LYS 19 Cb 0.00 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.80 2cr8 s LYS 19 CO 0.00 -0.27 1.81 -0.06 0.16 0.00 0.00 175.35 176.98 2cr8 s PHE 20 N 1.86 1.75 0.26 4.03 0.08 -1.26 -3.46 117.98 121.23 2cr8 s PHE 20 Ca 0.48 0.35 0.07 0.00 0.12 0.00 0.00 56.93 57.95 2cr8 s PHE 20 Cb -0.18 -4.02 -0.04 0.00 -0.57 0.00 0.00 43.02 38.21 2cr8 s PHE 20 CO 0.19 -3.68 0.17 -0.80 -0.10 0.00 0.00 175.22 171.00 2cr8 s ASN 21 N 5.10 5.39 0.61 1.36 0.01 -1.11 -4.98 114.94 121.33 2cr8 s ASN 21 Ca 0.81 -0.31 -0.19 0.00 -0.71 0.00 0.00 52.86 52.46 2cr8 s ASN 21 Cb -0.30 -1.32 -0.03 0.00 0.41 0.00 0.00 41.25 40.00 2cr8 s ASN 21 CO 0.33 -0.04 1.12 -1.54 -1.51 0.00 0.00 177.10 175.46 2cr8 n SER 22 N -1.15 1.43 0.00 -1.22 3.41 -1.26 -2.88 113.62 111.94 2cr8 n SER 22 Ca -0.08 0.83 0.03 0.00 -0.26 0.00 0.00 58.87 59.40 2cr8 n SER 22 Cb 0.58 -1.47 0.19 0.00 -0.26 0.00 0.00 64.21 63.25 2cr8 n SER 22 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2cr8 n PRO 23 N -1.35 0.49 -0.06 4.33 -0.04 -1.26 -3.27 135.00 133.83 2cr8 n PRO 23 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2cr8 n PRO 23 Cb 0.47 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.71 1.52 -4.60 3.54 2.88 -1.26 -5.00 113.62 109.99 2cr8 n SER 24 Ca 0.05 0.25 -0.48 0.00 -1.33 0.00 0.00 58.87 57.36 2cr8 n SER 24 Cb 0.02 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 2cr8 n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cr8 n LYS 25 N -4.01 1.37 -0.05 -1.46 4.76 -1.20 -4.91 118.16 112.64 2cr8 n LYS 25 Ca -0.20 0.49 -0.18 0.00 -2.87 0.00 0.00 58.31 55.55 2cr8 n LYS 25 Cb 0.50 -2.02 -0.13 0.00 -1.84 0.00 0.00 35.03 31.54 2cr8 n LYS 25 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2cr8 h ARG 26 N 3.58 0.07 -6.18 1.97 2.43 -1.94 -3.46 114.38 110.85 2cr8 h ARG 26 Ca -0.44 -0.13 -0.52 0.00 -0.81 0.00 0.00 59.98 58.09 2cr8 h ARG 26 Cb 1.33 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 2cr8 h ARG 26 CO 0.71 1.06 -0.51 1.52 -1.51 0.00 0.00 179.97 181.24 2cr8 s TYR 27 N -2.33 3.22 -0.13 2.20 -0.85 -1.26 -3.19 117.35 115.01 2cr8 s TYR 27 Ca -0.21 -0.05 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 2cr8 s TYR 27 Cb 0.01 -1.49 -0.03 0.00 0.38 0.00 0.00 41.96 40.84 2cr8 s TYR 27 CO 0.69 0.51 1.40 0.00 -1.52 0.00 0.00 175.55 176.63 2cr8 n PHE 29 N 6.85 0.42 0.00 0.00 1.16 -1.26 -1.11 117.46 123.51 2cr8 n PHE 29 Ca 0.15 -0.52 0.00 0.00 -1.87 0.00 0.00 57.45 55.21 2cr8 n PHE 29 Cb 0.44 -0.30 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 2cr8 n ARG 30 N 0.20 0.83 -0.87 3.97 3.00 -1.26 -4.87 116.66 117.66 2cr8 n ARG 30 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.96 2cr8 n ARG 30 Cb 0.59 -0.66 0.06 0.00 0.00 0.00 0.00 32.46 32.44 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 -0.13 -1.07 -3.38 0.00 8.01 -0.27 -4.84 117.44 115.77 2cr8 n TRP 32 Ca 0.07 0.53 -0.46 0.00 -1.31 0.00 0.00 57.50 56.34 2cr8 n TRP 32 Cb 0.87 -2.27 -0.03 0.00 -2.01 0.00 0.00 31.31 27.87 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 -3.99 4.06 -0.42 6.99 0.00 -1.22 -4.81 121.76 122.37 2cr8 s ALA 33 Ca 0.12 -3.35 -0.28 0.00 0.00 0.00 0.00 51.96 48.45 2cr8 s ALA 33 Cb -0.07 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2cr8 s ALA 33 CO 0.86 -2.26 1.91 -1.17 0.00 0.00 0.00 175.76 175.10 2cr8 s LEU 34 N 0.05 3.43 -0.03 0.00 0.20 -1.26 -1.93 118.68 119.14 2cr8 s LEU 34 Ca 0.19 1.03 -0.40 0.00 0.69 0.00 0.00 54.13 55.63 2cr8 s LEU 34 Cb -0.11 -3.11 -0.19 0.00 -0.43 0.00 0.00 46.19 42.35 2cr8 s LEU 34 CO -0.08 -2.05 1.18 -2.11 -0.29 0.00 0.00 176.35 172.99 2cr8 n ARG 35 N 8.74 0.23 -4.29 1.98 1.85 -1.19 -4.96 116.66 119.02 2cr8 n ARG 35 Ca 0.24 0.08 -0.21 0.00 -1.00 0.00 0.00 57.85 56.97 2cr8 n ARG 35 Cb 0.49 -1.61 -0.11 0.00 -1.05 0.00 0.00 32.46 30.17 2cr8 n ARG 35 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2cr8 s LYS 36 N 0.42 1.16 -0.33 2.89 -2.85 -1.26 -5.00 119.74 114.77 2cr8 s LYS 36 Ca 0.91 -1.31 -0.36 0.00 -1.00 0.00 0.00 55.97 54.21 2cr8 s LYS 36 Cb -1.23 -1.18 -0.16 0.00 -2.06 0.00 0.00 37.83 33.20 2cr8 s LYS 36 CO 0.57 0.24 1.20 -3.47 0.10 0.00 0.00 175.35 174.00 2cr8 n ASP 37 N 0.49 0.81 -3.80 0.03 2.03 -1.26 -4.93 116.55 109.92 2cr8 n ASP 37 Ca -0.15 0.94 -0.13 0.00 0.52 0.00 0.00 54.79 55.97 2cr8 n ASP 37 Cb 0.57 -0.70 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 2cr8 n ASP 37 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2cr8 s TRP 38 N 2.01 -0.20 0.16 -0.67 -0.11 -1.26 -5.16 118.94 113.71 2cr8 s TRP 38 Ca 0.81 0.50 -0.03 0.00 1.22 0.00 0.00 56.10 58.60 2cr8 s TRP 38 Cb -1.16 0.06 -0.05 0.00 -1.50 0.00 0.00 33.47 30.82 2cr8 s TRP 38 CO 0.62 -0.10 0.38 1.52 -4.62 0.00 0.00 176.95 174.74 2cr8 s TYR 39 N 0.19 3.48 -1.13 5.86 -0.85 -1.26 -4.38 117.35 119.27 2cr8 s TYR 39 Ca -0.01 0.46 -0.06 0.00 -0.52 0.00 0.00 57.07 56.95 2cr8 s TYR 39 Cb -0.02 -1.94 0.01 0.00 0.38 0.00 0.00 41.96 40.39 2cr8 s TYR 39 CO -0.00 0.41 0.97 0.43 -1.52 0.00 0.00 175.55 175.84 2cr8 n SER 40 N -0.22 -4.72 -4.21 -0.18 7.64 -1.26 -4.99 113.62 105.68 2cr8 n SER 40 Ca -0.03 -0.48 -0.36 0.00 1.01 0.00 0.00 58.87 59.00 2cr8 n SER 40 Cb 0.52 -4.41 -0.13 0.00 -1.01 0.00 0.00 64.21 59.19 2cr8 n SER 40 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cr8 s ASP 41 N -3.52 5.12 -0.98 6.43 2.15 -1.26 -4.60 116.67 120.00 2cr8 s ASP 41 Ca 0.36 -1.32 -0.06 0.00 0.43 0.00 0.00 52.55 51.96 2cr8 s ASP 41 Cb -0.16 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.67 2cr8 s ASP 41 CO 0.62 -0.33 0.85 0.00 -0.17 0.00 0.00 175.17 176.15 2cr8 n SER 43 N -1.92 1.04 -4.40 0.00 2.88 -1.26 -5.06 113.62 104.90 2cr8 n SER 43 Ca -0.02 0.15 -0.30 0.00 -1.33 0.00 0.00 58.87 57.36 2cr8 n SER 43 Cb 0.56 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 63.52 2cr8 n SER 43 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2cr8 s LYS 44 N -2.18 1.90 -0.39 -1.46 2.47 -1.26 -5.11 119.74 113.71 2cr8 s LYS 44 Ca -0.07 -1.07 -0.10 0.00 -1.56 0.00 0.00 55.97 53.17 2cr8 s LYS 44 Cb 0.02 -2.07 0.05 0.00 -1.46 0.00 0.00 37.83 34.37 2cr8 s LYS 44 CO 0.10 0.52 0.22 -1.17 0.16 0.00 0.00 175.35 175.19 2cr8 s LEU 45 N -1.38 4.88 -0.08 5.43 0.20 -1.26 -5.04 118.68 121.43 2cr8 s LEU 45 Ca 0.13 -1.22 -0.30 0.00 0.69 0.00 0.00 54.13 53.43 2cr8 s LEU 45 Cb -0.10 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 2cr8 s LEU 45 CO 0.04 -0.45 1.40 0.42 -0.29 0.00 0.00 176.35 177.46 2cr8 s THR 46 N 1.49 3.93 -0.68 3.68 -4.23 -1.26 -4.98 115.64 113.59 2cr8 s THR 46 Ca 0.02 1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 61.66 2cr8 s THR 46 Cb -0.21 -3.77 0.18 0.00 1.34 0.00 0.00 72.50 70.03 2cr8 s THR 46 CO 0.04 -0.06 0.54 -1.38 -0.54 0.00 0.00 174.62 173.22 2cr8 s HIS 47 N 3.16 3.53 -0.06 3.99 -3.43 -1.26 -5.02 115.29 116.21 2cr8 s HIS 47 Ca 0.62 -2.39 -0.02 0.00 -0.80 0.00 0.00 55.06 52.47 2cr8 s HIS 47 Cb -0.28 -3.44 0.04 0.00 -1.43 0.00 0.00 32.58 27.47 2cr8 s HIS 47 CO 0.23 -0.91 0.10 -1.54 -2.00 0.00 0.00 174.74 170.62 2cr8 s SER 48 N 1.37 0.51 0.00 7.38 1.04 -1.26 -5.13 113.70 117.62 2cr8 s SER 48 Ca 0.16 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2cr8 s SER 48 Cb -0.17 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2cr8 s SER 48 CO -0.05 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2cr8 n GLY 49 N 4.82 4.42 3.70 7.32 0.00 -1.26 -5.10 105.19 119.09 2cr8 n GLY 49 Ca -0.14 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.32 4.29 -1.12 1.61 0.04 -1.26 -4.96 135.00 130.27 2cr8 s PRO 50 Ca 0.00 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2cr8 s PRO 50 Cb 0.00 -3.47 0.22 0.00 0.04 0.00 0.00 34.50 31.30 2cr8 s PRO 50 CO 0.00 -0.54 1.23 -1.12 0.04 0.00 0.00 177.00 176.61 2cr8 s SER 51 N 1.66 7.15 0.01 6.66 0.01 -1.26 -4.64 113.70 123.30 2cr8 s SER 51 Ca 0.65 -3.20 -0.01 0.00 1.31 0.00 0.00 55.95 54.70 2cr8 s SER 51 Cb -0.34 -2.30 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 2cr8 s SER 51 CO 0.28 -0.54 -0.02 -0.24 0.41 0.00 0.00 173.24 173.14 2cr8 n SER 52 N 4.23 0.35 0.00 2.44 2.88 -1.26 -5.33 113.62 116.93 2cr8 n SER 52 Ca 0.29 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2cr8 n SER 52 Cb 0.42 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42