#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 -1.95 -4.13 1.61 2.88 -1.26 -4.89 113.62 105.88 2cr8 n SER 2 Ca 0.00 0.90 -0.38 0.00 -1.33 0.00 0.00 58.87 58.06 2cr8 n SER 2 Cb 0.00 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.53 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 -0.93 5.73 0.00 -3.46 0.15 -1.26 -4.98 113.70 108.95 2cr8 s SER 3 Ca 0.57 -3.19 0.00 0.00 0.70 0.00 0.00 55.95 54.03 2cr8 s SER 3 Cb -0.73 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2cr8 s SER 3 CO 0.55 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2cr8 n GLY 4 N 3.07 1.26 3.68 9.45 0.00 -1.26 -5.10 105.19 116.29 2cr8 n GLY 4 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2cr8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 5 N 0.34 5.57 -0.89 1.61 0.15 -1.26 -5.05 113.70 114.17 2cr8 s SER 5 Ca 0.00 0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.57 2cr8 s SER 5 Cb 0.00 -1.82 0.07 0.00 -1.71 0.00 0.00 66.02 62.56 2cr8 s SER 5 CO 0.00 0.27 1.25 -0.44 1.20 0.00 0.00 173.24 175.52 2cr8 s SER 6 N -0.22 6.44 -0.11 5.45 0.01 -1.26 -4.97 113.70 119.04 2cr8 s SER 6 Ca 0.07 -1.41 0.01 0.00 1.31 0.00 0.00 55.95 55.93 2cr8 s SER 6 Cb -0.12 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2cr8 s SER 6 CO 0.02 -1.41 -0.12 -0.83 0.41 0.00 0.00 173.24 171.30 2cr8 s GLY 7 N 4.18 0.94 1.06 3.44 0.00 -1.26 -5.13 107.32 110.55 2cr8 s GLY 7 Ca 0.37 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2cr8 s GLY 7 CO -0.03 0.43 0.96 -1.26 0.00 0.00 0.00 173.10 173.20 2cr8 n SER 8 N 4.44 -1.00 -4.37 1.64 2.88 -1.26 -5.00 113.62 110.95 2cr8 n SER 8 Ca -0.18 0.10 -0.35 0.00 -1.33 0.00 0.00 58.87 57.12 2cr8 n SER 8 Cb 0.51 -1.32 -0.14 0.00 -0.75 0.00 0.00 64.21 62.51 2cr8 n SER 8 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2cr8 s GLU 9 N -4.38 3.47 -0.12 -1.46 2.12 -1.26 -5.08 118.70 111.99 2cr8 s GLU 9 Ca 0.66 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 55.36 2cr8 s GLU 9 Cb -0.23 -2.96 0.06 0.00 0.26 0.00 0.00 34.13 31.25 2cr8 s GLU 9 CO 0.63 -0.04 0.14 -0.51 -0.54 0.00 0.00 175.26 174.93 2cr8 s ASP 10 N 1.09 1.31 0.71 -1.70 1.11 -1.26 -5.15 116.67 112.78 2cr8 s ASP 10 Ca 0.01 -0.04 -0.11 0.00 0.18 0.00 0.00 52.55 52.60 2cr8 s ASP 10 Cb -0.15 0.10 0.02 0.00 1.07 0.00 0.00 42.92 43.96 2cr8 s ASP 10 CO -0.00 -0.29 1.07 -1.61 1.18 0.00 0.00 175.17 175.52 2cr8 s GLU 11 N 2.24 2.77 -0.16 8.23 2.02 -1.26 -4.56 118.70 127.98 2cr8 s GLU 11 Ca 0.04 1.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.99 2cr8 s GLU 11 Cb -0.14 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 2cr8 s GLU 11 CO -0.07 -1.23 0.06 1.67 0.02 0.00 0.00 175.26 175.71 2cr8 s TRP 12 N -2.99 3.27 0.53 1.61 1.48 -1.07 -4.89 118.94 116.88 2cr8 s TRP 12 Ca 0.59 0.13 -0.20 0.00 -1.06 0.00 0.00 56.10 55.56 2cr8 s TRP 12 Cb -0.15 -2.01 -0.06 0.00 -1.16 0.00 0.00 33.47 30.09 2cr8 s TRP 12 CO 0.55 0.26 1.16 -1.14 -4.06 0.00 0.00 176.95 173.71 2cr8 s GLN 13 N 0.02 3.40 0.61 3.25 2.00 -1.26 -2.28 119.66 125.39 2cr8 s GLN 13 Ca 0.06 1.70 -0.04 0.00 -2.00 0.00 0.00 55.36 55.08 2cr8 s GLN 13 Cb -0.12 -2.11 0.03 0.00 0.80 0.00 0.00 33.01 31.61 2cr8 s GLN 13 CO 0.01 -0.83 0.89 0.00 -0.50 0.00 0.00 175.29 174.86 2cr8 n THR 15 N -2.59 1.04 -0.01 0.00 5.66 -1.26 -3.67 114.28 113.44 2cr8 n THR 15 Ca 0.06 -0.67 -0.01 0.00 -3.05 0.00 0.00 64.05 60.38 2cr8 n THR 15 Cb 0.59 -0.52 -0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2cr8 h GLU 16 N 0.00 0.00 -0.14 1.09 3.07 -1.96 -3.40 114.58 113.23 2cr8 h GLU 16 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2cr8 h GLU 16 Cb 1.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.83 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 0.60 -2.48 -3.27 0.00 4.01 -1.24 -4.88 118.16 110.90 2cr8 n LYS 18 Ca 0.17 0.28 -0.38 0.00 -0.51 0.00 0.00 58.31 57.87 2cr8 n LYS 18 Cb 0.41 -4.77 -0.06 0.00 -0.51 0.00 0.00 35.03 30.10 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 -4.73 4.35 0.24 1.97 2.47 -1.26 -4.21 119.74 118.58 2cr8 s LYS 19 Ca 0.00 0.53 -0.31 0.00 -1.56 0.00 0.00 55.97 54.63 2cr8 s LYS 19 Cb 0.00 -3.43 -0.11 0.00 -1.46 0.00 0.00 37.83 32.82 2cr8 s LYS 19 CO 0.00 0.15 1.64 -0.06 0.16 0.00 0.00 175.35 177.24 2cr8 s PHE 20 N 0.62 2.86 0.19 4.03 0.08 -1.26 -3.23 117.98 121.26 2cr8 s PHE 20 Ca 0.28 0.58 0.09 0.00 0.12 0.00 0.00 56.93 58.00 2cr8 s PHE 20 Cb -0.16 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.17 2cr8 s PHE 20 CO 0.12 -3.87 -0.18 -0.80 -0.10 0.00 0.00 175.22 170.38 2cr8 s ASN 21 N 0.85 2.87 0.34 1.36 0.01 -0.97 -4.96 114.94 114.44 2cr8 s ASN 21 Ca 0.69 -0.92 -0.26 0.00 -0.71 0.00 0.00 52.86 51.66 2cr8 s ASN 21 Cb -0.48 -0.18 -0.13 0.00 0.41 0.00 0.00 41.25 40.86 2cr8 s ASN 21 CO 0.39 -0.04 0.90 -1.54 -1.51 0.00 0.00 177.10 175.31 2cr8 n SER 22 N 0.01 0.76 0.00 -1.22 3.41 -1.26 -2.61 113.62 112.71 2cr8 n SER 22 Ca -0.11 1.09 0.05 0.00 -0.26 0.00 0.00 58.87 59.65 2cr8 n SER 22 Cb 0.58 -1.26 0.33 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.56 0.49 -0.09 4.33 -0.04 -1.26 -3.22 135.00 135.76 2cr8 n PRO 23 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 2cr8 n PRO 23 Cb 0.35 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr8 n SER 24 N -0.85 1.64 -4.76 3.54 7.64 -1.26 -5.00 113.62 114.57 2cr8 n SER 24 Ca 0.08 0.28 -0.39 0.00 1.01 0.00 0.00 58.87 59.85 2cr8 n SER 24 Cb 0.04 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 62.61 2cr8 n SER 24 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr8 s LYS 25 N -2.53 3.47 -0.21 1.43 -0.14 -1.20 -4.97 119.74 115.59 2cr8 s LYS 25 Ca -0.27 2.25 -0.16 0.00 -1.36 0.00 0.00 55.97 56.42 2cr8 s LYS 25 Cb 0.08 -2.46 -0.12 0.00 -1.68 0.00 0.00 37.83 33.65 2cr8 s LYS 25 CO 0.37 -0.93 -0.08 -2.13 -0.76 0.00 0.00 175.35 171.81 2cr8 n ARG 26 N -0.57 0.54 -2.91 1.68 0.63 -1.26 -4.80 116.66 109.97 2cr8 n ARG 26 Ca 0.08 0.45 -0.41 0.00 -0.92 0.00 0.00 57.85 57.05 2cr8 n ARG 26 Cb 0.44 -1.64 -0.04 0.00 0.45 0.00 0.00 32.46 31.67 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 3.60 0.01 -0.14 1.51 -1.26 -4.08 117.35 114.55 2cr8 s TYR 27 Ca -0.28 1.43 -0.34 0.00 -1.01 0.00 0.00 57.07 56.87 2cr8 s TYR 27 Cb 0.07 -2.94 -0.13 0.00 -0.11 0.00 0.00 41.96 38.85 2cr8 s TYR 27 CO 0.46 0.04 1.74 0.00 -1.11 0.00 0.00 175.55 176.67 2cr8 n PHE 29 N 5.18 0.62 0.00 0.00 7.35 -1.26 -0.90 117.46 128.44 2cr8 n PHE 29 Ca 0.20 -0.82 0.00 0.00 -0.76 0.00 0.00 57.45 56.07 2cr8 n PHE 29 Cb 0.28 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.70 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 0.24 0.14 -0.23 -4.13 0.63 -1.26 -4.88 116.66 107.17 2cr8 n ARG 30 Ca 0.12 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.07 2cr8 n ARG 30 Cb 0.72 -0.71 0.03 0.00 0.45 0.00 0.00 32.46 32.95 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cr8 n TRP 32 N -0.32 -1.18 -2.55 0.00 7.02 -0.08 -4.89 117.44 115.44 2cr8 n TRP 32 Ca 0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.09 2cr8 n TRP 32 Cb 0.59 -2.60 -0.03 0.00 -2.42 0.00 0.00 31.31 26.84 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 -2.43 3.30 -0.05 6.99 0.00 -1.24 -4.68 121.76 123.64 2cr8 s ALA 33 Ca 0.00 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.50 2cr8 s ALA 33 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2cr8 s ALA 33 CO 0.00 -0.36 0.45 -1.17 0.00 0.00 0.00 175.76 174.68 2cr8 s LEU 34 N 1.09 4.38 0.57 0.00 2.96 -1.26 -0.35 118.68 126.08 2cr8 s LEU 34 Ca 0.56 0.91 -0.18 0.00 -0.22 0.00 0.00 54.13 55.20 2cr8 s LEU 34 Cb -0.26 -2.66 -0.08 0.00 0.50 0.00 0.00 46.19 43.69 2cr8 s LEU 34 CO 0.28 0.17 0.53 0.54 -1.32 0.00 0.00 176.35 176.55 2cr8 n ARG 35 N 2.69 0.51 -1.73 1.98 1.74 -1.26 -4.84 116.66 115.75 2cr8 n ARG 35 Ca -0.11 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 2cr8 n ARG 35 Cb 0.52 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 2cr8 n ARG 35 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2cr8 n LYS 36 N -0.08 2.64 -2.40 5.56 3.00 -1.26 -4.93 118.16 120.70 2cr8 n LYS 36 Ca 0.12 0.94 -0.42 0.00 -0.00 0.00 0.00 58.31 58.95 2cr8 n LYS 36 Cb 0.48 -2.73 -0.03 0.00 0.00 0.00 0.00 35.03 32.75 2cr8 n LYS 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2cr8 s ASP 37 N 0.64 6.99 -0.10 3.14 1.01 -1.26 -4.93 116.67 122.16 2cr8 s ASP 37 Ca 0.67 1.88 -0.39 0.00 0.71 0.00 0.00 52.55 55.43 2cr8 s ASP 37 Cb -0.52 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 40.69 2cr8 s ASP 37 CO 0.45 -0.63 1.49 -2.67 0.21 0.00 0.00 175.17 174.02 2cr8 n TRP 38 N 5.32 1.65 -3.65 4.23 2.14 -1.26 -4.91 117.44 120.96 2cr8 n TRP 38 Ca 0.12 0.67 -0.38 0.00 2.07 0.00 0.00 57.50 59.98 2cr8 n TRP 38 Cb 0.45 -2.35 -0.09 0.00 -0.81 0.00 0.00 31.31 28.51 2cr8 n TRP 38 CO 0.00 0.00 0.00 1.52 2.07 0.00 0.00 177.69 181.28 2cr8 s TYR 39 N 1.78 3.49 -0.33 -2.67 1.13 -1.26 -4.90 117.35 114.59 2cr8 s TYR 39 Ca 0.92 -2.40 0.10 0.00 -1.41 0.00 0.00 57.07 54.27 2cr8 s TYR 39 Cb -1.07 -3.34 0.46 0.00 -1.10 0.00 0.00 41.96 36.92 2cr8 s TYR 39 CO 0.57 -0.92 1.14 0.43 -2.51 0.00 0.00 175.55 174.26 2cr8 n SER 40 N 4.06 4.11 -4.00 -0.18 7.64 -1.26 -4.94 113.62 119.05 2cr8 n SER 40 Ca 0.03 -3.41 -0.32 0.00 1.01 0.00 0.00 58.87 56.18 2cr8 n SER 40 Cb 0.40 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -3.58 5.34 -0.91 6.43 -1.08 -1.26 -5.00 116.67 116.61 2cr8 s ASP 41 Ca 0.45 -3.71 -0.09 0.00 -0.52 0.00 0.00 52.55 48.68 2cr8 s ASP 41 Cb 0.40 -1.77 0.23 0.00 -1.46 0.00 0.00 42.92 40.32 2cr8 s ASP 41 CO -0.03 -0.15 0.84 0.00 0.52 0.00 0.00 175.17 176.35 2cr8 n SER 43 N 3.21 3.48 -3.87 0.00 3.41 -1.26 -5.03 113.62 113.57 2cr8 n SER 43 Ca 0.18 -0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.49 2cr8 n SER 43 Cb 0.42 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2cr8 n SER 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2cr8 n LYS 44 N -2.64 -5.40 -3.44 4.33 4.81 -1.26 -1.55 118.16 113.01 2cr8 n LYS 44 Ca -0.06 0.60 -0.19 0.00 -0.87 0.00 0.00 58.31 57.79 2cr8 n LYS 44 Cb 0.57 -5.41 0.08 0.00 0.02 0.00 0.00 35.03 30.29 2cr8 n LYS 44 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2cr8 n LEU 45 N -4.60 -3.74 -4.75 3.14 4.32 -1.26 -4.97 117.00 105.14 2cr8 n LEU 45 Ca -0.04 -0.57 -0.40 0.00 -0.02 0.00 0.00 56.01 54.99 2cr8 n LEU 45 Cb 0.56 -2.99 -0.06 0.00 -1.62 0.00 0.00 43.42 39.32 2cr8 n LEU 45 CO 0.74 0.46 0.58 0.28 -1.22 0.00 0.00 177.39 178.23 2cr8 s THR 46 N -3.33 4.32 0.24 -5.08 -1.32 -0.60 -4.92 115.64 104.95 2cr8 s THR 46 Ca 0.20 1.92 0.07 0.00 -1.21 0.00 0.00 61.69 62.67 2cr8 s THR 46 Cb -0.09 -4.25 0.29 0.00 -1.51 0.00 0.00 72.50 66.94 2cr8 s THR 46 CO 0.70 0.46 1.15 1.57 -2.21 0.00 0.00 174.62 176.28 2cr8 n HIS 47 N 1.93 0.62 -3.66 9.09 -0.00 -1.26 -4.76 115.22 117.18 2cr8 n HIS 47 Ca -0.02 0.87 -0.23 0.00 0.46 0.00 0.00 57.72 58.80 2cr8 n HIS 47 Cb 0.48 -1.14 0.06 0.00 -0.12 0.00 0.00 29.99 29.27 2cr8 n HIS 47 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2cr8 n SER 48 N -4.87 -3.46 0.00 0.26 7.64 -1.26 -4.94 113.62 106.98 2cr8 n SER 48 Ca 0.21 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2cr8 n SER 48 Cb 0.71 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2cr8 n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr8 n GLY 49 N -1.60 -0.10 3.68 0.23 0.00 -1.26 -5.08 105.19 101.07 2cr8 n GLY 49 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.02 0.56 0.18 1.61 0.04 -1.26 -4.94 135.00 131.17 2cr8 s PRO 50 Ca 0.00 0.57 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 2cr8 s PRO 50 Cb 0.00 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.86 2cr8 s PRO 50 CO 0.00 -2.66 1.56 0.77 0.04 0.00 0.00 177.00 176.72 2cr8 h SER 51 N -1.84 -1.51 -6.26 6.66 0.02 -2.05 -3.43 113.55 105.14 2cr8 h SER 51 Ca -0.54 0.26 -0.47 0.00 -0.84 0.00 0.00 61.79 60.21 2cr8 h SER 51 Cb 1.32 0.70 -0.25 0.00 0.14 0.00 0.00 62.40 64.32 2cr8 h SER 51 CO 0.57 -0.32 -0.69 -1.20 -1.14 0.00 0.00 176.83 174.05 2cr8 n SER 52 N -5.41 -0.72 0.00 3.07 7.64 -1.26 -5.12 113.62 111.82 2cr8 n SER 52 Ca 0.03 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2cr8 n SER 52 Cb 0.35 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64