#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 s SER 2 N 0.00 7.40 -0.60 1.61 0.01 -1.26 -5.01 113.70 115.86 2cr8 s SER 2 Ca 0.00 1.94 -0.20 0.00 1.31 0.00 0.00 55.95 59.00 2cr8 s SER 2 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.71 2cr8 s SER 2 CO 0.00 -0.03 0.79 -0.44 0.41 0.00 0.00 173.24 173.97 2cr8 s SER 3 N -1.37 6.20 -0.45 2.44 0.01 -1.26 -4.91 113.70 114.35 2cr8 s SER 3 Ca 0.47 -1.12 0.09 0.00 1.31 0.00 0.00 55.95 56.70 2cr8 s SER 3 Cb -0.23 -2.35 0.37 0.00 0.21 0.00 0.00 66.02 64.02 2cr8 s SER 3 CO 0.29 -1.19 0.89 0.61 0.41 0.00 0.00 173.24 174.26 2cr8 n GLY 4 N 5.27 4.43 2.78 3.44 0.00 -1.26 -5.01 105.19 114.83 2cr8 n GLY 4 Ca -0.06 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.07 1.25 0.68 1.61 0.01 -1.26 -5.14 113.70 107.77 2cr8 s SER 5 Ca 0.43 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 2cr8 s SER 5 Cb 0.34 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 67.06 2cr8 s SER 5 CO -0.10 -0.33 0.79 -0.24 0.41 0.00 0.00 173.24 173.76 2cr8 n SER 6 N 5.32 -0.11 0.00 2.44 2.88 -1.26 -4.74 113.62 118.15 2cr8 n SER 6 Ca -0.05 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2cr8 n SER 6 Cb 0.49 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2cr8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr8 n GLY 7 N 1.38 0.90 3.14 0.46 0.00 -1.26 -5.15 105.19 104.66 2cr8 n GLY 7 Ca 0.12 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2cr8 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 8 N 0.00 0.12 -1.26 1.61 0.15 -1.26 -4.90 113.70 108.16 2cr8 s SER 8 Ca 0.00 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.13 2cr8 s SER 8 Cb 0.00 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2cr8 s SER 8 CO 0.00 -0.52 1.08 -0.62 1.20 0.00 0.00 173.24 174.38 2cr8 n GLU 9 N 0.76 -7.27 -4.30 5.44 -0.58 -1.26 -5.01 120.64 108.42 2cr8 n GLU 9 Ca -0.19 0.80 -0.20 0.00 -0.42 0.00 0.00 57.16 57.15 2cr8 n GLU 9 Cb 0.58 -5.74 -0.16 0.00 -0.57 0.00 0.00 31.44 25.56 2cr8 n GLU 9 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2cr8 s ASP 10 N -3.61 1.05 0.65 1.62 1.47 -1.26 -5.11 116.67 111.48 2cr8 s ASP 10 Ca 0.39 -0.16 -0.17 0.00 1.18 0.00 0.00 52.55 53.80 2cr8 s ASP 10 Cb -0.17 -0.33 -0.01 0.00 -0.34 0.00 0.00 42.92 42.08 2cr8 s ASP 10 CO 0.70 0.03 1.18 -1.61 0.68 0.00 0.00 175.17 176.16 2cr8 s GLU 11 N 0.34 2.68 -0.19 2.11 2.02 -1.26 -4.64 118.70 119.76 2cr8 s GLU 11 Ca -0.05 1.70 -0.11 0.00 0.02 0.00 0.00 54.97 56.53 2cr8 s GLU 11 Cb -0.09 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 2cr8 s GLU 11 CO 0.00 -1.40 0.20 1.67 0.02 0.00 0.00 175.26 175.75 2cr8 s TRP 12 N -1.88 3.41 0.63 1.61 1.48 -1.09 -4.91 118.94 118.18 2cr8 s TRP 12 Ca 0.74 0.41 -0.12 0.00 -1.06 0.00 0.00 56.10 56.07 2cr8 s TRP 12 Cb -0.28 -2.25 -0.03 0.00 -1.16 0.00 0.00 33.47 29.76 2cr8 s TRP 12 CO 0.38 0.23 1.04 -1.14 -4.06 0.00 0.00 176.95 173.40 2cr8 s GLN 13 N 0.53 3.39 0.38 3.25 0.74 -1.26 -2.50 119.66 124.20 2cr8 s GLN 13 Ca 0.11 0.91 0.07 0.00 0.05 0.00 0.00 55.36 56.50 2cr8 s GLN 13 Cb -0.12 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.94 2cr8 s GLN 13 CO 0.01 -0.73 0.53 0.00 -0.55 0.00 0.00 175.29 174.55 2cr8 n THR 15 N -1.77 1.03 0.00 0.00 -2.24 -1.26 -3.66 114.28 106.38 2cr8 n THR 15 Ca 0.04 -0.53 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2cr8 n THR 15 Cb 0.59 -0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.00 -0.78 5.08 -2.00 -3.38 114.58 113.49 2cr8 h GLU 16 Ca -0.40 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 2cr8 h GLU 16 Cb 1.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 2cr8 h GLU 16 CO -0.02 -0.00 -0.85 0.00 -1.00 0.00 0.00 179.01 177.14 2cr8 n LYS 18 N -3.07 -3.72 -2.96 0.00 4.76 -1.24 -5.00 118.16 106.93 2cr8 n LYS 18 Ca -0.02 0.44 -0.18 0.00 -2.87 0.00 0.00 58.31 55.68 2cr8 n LYS 18 Cb 0.76 -4.28 0.02 0.00 -1.84 0.00 0.00 35.03 29.69 2cr8 n LYS 18 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cr8 n LYS 19 N -2.72 0.78 -3.92 1.97 4.76 -1.26 -4.66 118.16 113.11 2cr8 n LYS 19 Ca -0.10 -2.56 -0.35 0.00 -2.87 0.00 0.00 58.31 52.42 2cr8 n LYS 19 Cb 0.57 0.07 -0.14 0.00 -1.84 0.00 0.00 35.03 33.70 2cr8 n LYS 19 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr8 s PHE 20 N -1.98 3.20 0.17 2.13 0.08 -1.26 -1.15 117.98 119.17 2cr8 s PHE 20 Ca 0.35 -1.76 0.05 0.00 0.12 0.00 0.00 56.93 55.69 2cr8 s PHE 20 Cb -0.03 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 2cr8 s PHE 20 CO 0.22 -0.78 0.14 -0.80 -0.10 0.00 0.00 175.22 173.90 2cr8 s ASN 21 N 1.28 5.52 0.42 1.36 0.01 -1.04 -4.97 114.94 117.52 2cr8 s ASN 21 Ca -0.04 -0.14 -0.25 0.00 -0.71 0.00 0.00 52.86 51.72 2cr8 s ASN 21 Cb -0.19 -1.44 -0.10 0.00 0.41 0.00 0.00 41.25 39.94 2cr8 s ASN 21 CO -0.02 0.06 1.27 -1.20 -1.51 0.00 0.00 177.10 175.70 2cr8 n SER 22 N -0.39 2.56 0.00 -1.22 7.64 -1.26 -2.66 113.62 118.29 2cr8 n SER 22 Ca -0.08 1.11 0.04 0.00 1.01 0.00 0.00 58.87 60.95 2cr8 n SER 22 Cb 0.55 -1.50 0.24 0.00 -1.01 0.00 0.00 64.21 62.49 2cr8 n SER 22 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2cr8 n PRO 23 N 0.04 0.49 -0.09 1.43 -0.04 -1.26 -2.86 135.00 132.70 2cr8 n PRO 23 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 2cr8 n PRO 23 Cb 0.40 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2cr8 n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cr8 n SER 24 N -0.76 1.98 -4.74 3.54 3.41 -1.26 -5.02 113.62 110.77 2cr8 n SER 24 Ca 0.06 0.07 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 2cr8 n SER 24 Cb 0.03 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.68 2cr8 n SER 24 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cr8 s LYS 25 N -2.35 1.69 -0.04 4.33 -0.14 -1.14 -5.02 119.74 117.07 2cr8 s LYS 25 Ca -0.25 1.02 -0.09 0.00 -1.36 0.00 0.00 55.97 55.29 2cr8 s LYS 25 Cb 0.08 -1.84 -0.03 0.00 -1.68 0.00 0.00 37.83 34.36 2cr8 s LYS 25 CO 0.37 -2.00 -0.17 -2.13 -0.76 0.00 0.00 175.35 170.66 2cr8 n ARG 26 N -3.75 0.26 -1.97 1.68 0.63 -1.26 -4.86 116.66 107.40 2cr8 n ARG 26 Ca 0.08 0.10 -0.35 0.00 -0.92 0.00 0.00 57.85 56.76 2cr8 n ARG 26 Cb 0.54 -0.95 0.03 0.00 0.45 0.00 0.00 32.46 32.53 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 -2.44 2.45 -0.28 -0.14 1.51 -1.26 -3.13 117.35 114.06 2cr8 s TYR 27 Ca -0.14 1.54 -0.22 0.00 -1.01 0.00 0.00 57.07 57.24 2cr8 s TYR 27 Cb 0.02 -3.39 -0.01 0.00 -0.11 0.00 0.00 41.96 38.47 2cr8 s TYR 27 CO 0.21 -2.04 0.71 0.00 -1.11 0.00 0.00 175.55 173.32 2cr8 n PHE 29 N 5.94 0.31 0.00 0.00 -1.74 -1.26 -0.96 117.46 119.75 2cr8 n PHE 29 Ca 0.02 -0.86 0.00 0.00 -0.56 0.00 0.00 57.45 56.05 2cr8 n PHE 29 Cb 0.48 -0.43 0.00 0.00 1.52 0.00 0.00 39.48 41.06 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2cr8 n ARG 30 N 0.71 0.12 -0.23 3.97 3.00 -1.26 -4.89 116.66 118.08 2cr8 n ARG 30 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.93 2cr8 n ARG 30 Cb 0.58 -0.63 0.03 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 -0.39 -1.43 -3.92 0.00 8.01 -0.14 -4.93 117.44 114.64 2cr8 n TRP 32 Ca 0.04 0.43 -0.35 0.00 -1.31 0.00 0.00 57.50 56.31 2cr8 n TRP 32 Cb 0.59 -3.01 -0.14 0.00 -2.01 0.00 0.00 31.31 26.74 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 -3.94 2.76 0.11 6.99 0.00 -1.25 -4.86 121.76 121.58 2cr8 s ALA 33 Ca 0.22 -1.43 -0.34 0.00 0.00 0.00 0.00 51.96 50.40 2cr8 s ALA 33 Cb -0.11 -1.76 -0.14 0.00 0.00 0.00 0.00 23.12 21.11 2cr8 s ALA 33 CO 0.96 -0.79 1.61 -0.11 0.00 0.00 0.00 175.76 177.42 2cr8 n LEU 34 N 4.71 3.03 -4.15 0.00 0.00 -1.26 -2.32 117.00 117.00 2cr8 n LEU 34 Ca -0.16 1.07 -0.57 0.00 0.00 0.00 0.00 56.01 56.34 2cr8 n LEU 34 Cb 0.48 -1.40 -0.08 0.00 0.00 0.00 0.00 43.42 42.42 2cr8 n LEU 34 CO 0.28 -0.31 0.80 -1.14 0.00 0.00 0.00 177.39 177.01 2cr8 n ARG 35 N 3.84 0.00 0.01 1.96 0.63 -1.18 -4.86 116.66 117.06 2cr8 n ARG 35 Ca 0.18 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.08 2cr8 n ARG 35 Cb 0.28 -1.34 -0.01 0.00 0.45 0.00 0.00 32.46 31.84 2cr8 n ARG 35 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2cr8 n LYS 36 N 2.60 0.11 -1.50 -0.14 4.76 -1.26 -5.04 118.16 117.69 2cr8 n LYS 36 Ca 0.23 0.05 -0.52 0.00 -2.87 0.00 0.00 58.31 55.20 2cr8 n LYS 36 Cb 0.00 -0.70 -0.05 0.00 -1.84 0.00 0.00 35.03 32.44 2cr8 n LYS 36 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cr8 n ASP 37 N -3.56 0.17 -3.73 4.39 -0.08 -1.26 -4.97 116.55 107.51 2cr8 n ASP 37 Ca -0.05 1.14 -0.14 0.00 -1.51 0.00 0.00 54.79 54.24 2cr8 n ASP 37 Cb 0.25 -1.04 -0.09 0.00 2.34 0.00 0.00 41.12 42.58 2cr8 n ASP 37 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 2cr8 s TRP 38 N -0.32 -0.37 0.28 -0.67 1.48 -1.26 -5.18 118.94 112.91 2cr8 s TRP 38 Ca 0.78 0.80 0.06 0.00 -1.06 0.00 0.00 56.10 56.68 2cr8 s TRP 38 Cb -1.03 0.15 -0.06 0.00 -1.16 0.00 0.00 33.47 31.37 2cr8 s TRP 38 CO 0.55 -0.30 -0.05 1.52 -4.06 0.00 0.00 176.95 174.61 2cr8 s TYR 39 N -0.43 1.95 0.00 1.66 1.13 -1.26 -5.07 117.35 115.33 2cr8 s TYR 39 Ca -0.06 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 2cr8 s TYR 39 Cb -0.03 -1.13 0.00 0.00 -1.10 0.00 0.00 41.96 39.69 2cr8 s TYR 39 CO 0.03 0.26 0.00 0.45 -2.51 0.00 0.00 175.55 173.77 2cr8 n SER 40 N -0.59 0.57 -4.55 -0.18 2.88 -1.26 -4.96 113.62 105.53 2cr8 n SER 40 Ca -0.05 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.31 2cr8 n SER 40 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 2cr8 n SER 40 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2cr8 n ASP 41 N -2.79 1.51 -2.18 -3.46 8.00 -1.26 -4.73 116.55 111.65 2cr8 n ASP 41 Ca 0.00 -1.22 -0.27 0.00 0.71 0.00 0.00 54.79 54.01 2cr8 n ASP 41 Cb 0.40 -1.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.00 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr8 n SER 43 N -0.71 -3.47 -2.20 0.00 2.88 -1.26 -4.96 113.62 103.90 2cr8 n SER 43 Ca 0.47 -0.23 -0.28 0.00 -1.33 0.00 0.00 58.87 57.49 2cr8 n SER 43 Cb 0.84 -2.42 0.03 0.00 -0.75 0.00 0.00 64.21 61.92 2cr8 n SER 43 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2cr8 n LYS 44 N -2.39 3.31 -4.12 -1.46 4.81 -1.26 -5.01 118.16 112.05 2cr8 n LYS 44 Ca -0.02 -3.94 -0.10 0.00 -0.87 0.00 0.00 58.31 53.38 2cr8 n LYS 44 Cb 0.54 -2.28 -0.10 0.00 0.02 0.00 0.00 35.03 33.20 2cr8 n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2cr8 s LEU 45 N -3.68 2.45 -0.33 3.14 1.02 -1.26 -5.11 118.68 114.91 2cr8 s LEU 45 Ca 0.54 -0.89 -0.29 0.00 0.02 0.00 0.00 54.13 53.51 2cr8 s LEU 45 Cb 0.44 -0.01 -0.01 0.00 0.02 0.00 0.00 46.19 46.62 2cr8 s LEU 45 CO -0.02 -0.44 1.58 0.42 0.02 0.00 0.00 176.35 177.90 2cr8 s THR 46 N -3.17 3.74 0.14 5.49 -4.23 -1.26 -4.91 115.64 111.43 2cr8 s THR 46 Ca 0.05 0.78 -0.28 0.00 -1.18 0.00 0.00 61.69 61.06 2cr8 s THR 46 Cb 0.02 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.93 2cr8 s THR 46 CO -0.05 -0.51 1.59 -0.74 -0.54 0.00 0.00 174.62 174.37 2cr8 h HIS 47 N 11.29 -1.11 -3.34 3.99 2.76 -1.99 -3.41 115.15 123.34 2cr8 h HIS 47 Ca -0.31 0.05 -0.55 0.00 -2.20 0.00 0.00 60.37 57.36 2cr8 h HIS 47 Cb 1.14 0.51 -0.04 0.00 1.55 0.00 0.00 27.41 30.57 2cr8 h HIS 47 CO 0.94 -0.45 -0.14 -1.12 -1.30 0.00 0.00 177.93 175.87 2cr8 s SER 48 N -4.92 6.67 0.00 3.26 0.01 -1.26 -4.91 113.70 112.55 2cr8 s SER 48 Ca -0.15 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2cr8 s SER 48 Cb 0.10 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2cr8 s SER 48 CO 0.65 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.93 2cr8 n GLY 49 N 0.28 -1.29 3.57 3.44 0.00 -1.26 -5.15 105.19 104.77 2cr8 n GLY 49 Ca -0.02 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -1.66 0.04 1.61 0.04 -1.26 -4.98 135.00 128.79 2cr8 s PRO 50 Ca 0.00 -0.22 -0.21 0.00 0.04 0.00 0.00 61.00 60.61 2cr8 s PRO 50 Cb 0.00 -1.56 -0.14 0.00 0.04 0.00 0.00 34.50 32.84 2cr8 s PRO 50 CO 0.00 -3.97 1.41 0.66 0.04 0.00 0.00 177.00 175.14 2cr8 h SER 51 N -2.76 0.29 -3.33 6.66 4.64 -2.01 -3.44 113.55 113.59 2cr8 h SER 51 Ca -0.42 -0.40 -0.28 0.00 -0.47 0.00 0.00 61.79 60.23 2cr8 h SER 51 Cb 1.28 -0.08 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 2cr8 h SER 51 CO 0.27 0.62 -0.64 -0.44 -0.87 0.00 0.00 176.83 175.77 2cr8 s SER 52 N -5.91 0.27 0.00 4.97 0.01 -1.26 -5.22 113.70 106.56 2cr8 s SER 52 Ca -0.14 0.26 0.12 0.00 1.31 0.00 0.00 55.95 57.49 2cr8 s SER 52 Cb 0.05 0.15 0.09 0.00 0.21 0.00 0.00 66.02 66.52 2cr8 s SER 52 CO 0.73 -0.18 0.87 0.61 0.41 0.00 0.00 173.24 175.67