#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 -0.21 -0.37 1.61 0.15 -1.26 -5.13 113.70 108.49 2cr8 s SER 2 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2cr8 s SER 2 Cb 0.00 0.22 0.12 0.00 -1.71 0.00 0.00 66.02 64.65 2cr8 s SER 2 CO 0.00 -0.35 0.19 -0.55 1.20 0.00 0.00 173.24 173.73 2cr8 s SER 3 N -2.22 3.59 -1.13 5.45 0.15 -1.26 -4.92 113.70 113.36 2cr8 s SER 3 Ca 0.08 -2.18 -0.29 0.00 0.70 0.00 0.00 55.95 54.26 2cr8 s SER 3 Cb -0.01 -0.80 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 2cr8 s SER 3 CO -0.06 -0.33 0.65 0.61 1.20 0.00 0.00 173.24 175.32 2cr8 n GLY 4 N 4.11 -0.90 4.46 9.45 0.00 -1.26 0.48 105.19 121.54 2cr8 n GLY 4 Ca 0.06 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.15 -1.14 -3.44 1.61 3.41 -1.26 -4.75 113.62 105.91 2cr8 n SER 5 Ca -0.14 -1.24 -0.32 0.00 -0.26 0.00 0.00 58.87 56.90 2cr8 n SER 5 Cb 0.57 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 2cr8 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cr8 n SER 6 N -2.59 -2.65 0.14 4.04 2.88 0.18 -4.84 113.62 110.78 2cr8 n SER 6 Ca -0.01 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2cr8 n SER 6 Cb 0.52 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 1.95 -1.50 3.27 0.46 0.00 -1.26 -5.02 105.19 103.09 2cr8 n GLY 7 Ca 0.08 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 2.85 0.14 1.61 1.04 -1.26 -5.11 113.70 110.96 2cr8 s SER 8 Ca 0.00 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 2cr8 s SER 8 Cb 0.00 -0.43 -0.07 0.00 0.10 0.00 0.00 66.02 65.62 2cr8 s SER 8 CO 0.00 0.28 1.24 -1.61 0.98 0.00 0.00 173.24 174.13 2cr8 s GLU 9 N -0.46 4.44 -0.39 4.02 8.01 -1.26 -4.94 118.70 128.11 2cr8 s GLU 9 Ca 0.06 1.89 0.05 0.00 0.01 0.00 0.00 54.97 56.98 2cr8 s GLU 9 Cb -0.10 -3.27 0.45 0.00 -4.31 0.00 0.00 34.13 26.90 2cr8 s GLU 9 CO 0.00 -0.21 1.37 -0.25 0.01 0.00 0.00 175.26 176.18 2cr8 n ASP 10 N 3.17 5.52 -4.63 -0.19 8.00 -1.26 -5.06 116.55 122.10 2cr8 n ASP 10 Ca 0.07 -3.76 -0.29 0.00 0.71 0.00 0.00 54.79 51.52 2cr8 n ASP 10 Cb 0.45 -0.50 0.18 0.00 -0.02 0.00 0.00 41.12 41.23 2cr8 n ASP 10 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2cr8 s GLU 11 N -3.65 0.45 -0.24 -1.24 2.02 -1.26 -4.88 118.70 109.90 2cr8 s GLU 11 Ca 0.53 0.93 -0.10 0.00 0.02 0.00 0.00 54.97 56.36 2cr8 s GLU 11 Cb 0.43 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 2cr8 s GLU 11 CO -0.01 -2.82 0.14 1.67 0.02 0.00 0.00 175.26 174.26 2cr8 s TRP 12 N -2.74 3.24 0.58 1.61 1.48 -0.83 -4.81 118.94 117.47 2cr8 s TRP 12 Ca 0.66 0.06 -0.18 0.00 -1.06 0.00 0.00 56.10 55.58 2cr8 s TRP 12 Cb -0.21 -2.27 -0.04 0.00 -1.16 0.00 0.00 33.47 29.79 2cr8 s TRP 12 CO 0.60 -0.06 1.14 -1.14 -4.06 0.00 0.00 176.95 173.43 2cr8 s GLN 13 N 1.24 3.13 0.78 3.25 0.74 -1.26 -2.17 119.66 125.37 2cr8 s GLN 13 Ca 0.06 1.62 -0.08 0.00 0.05 0.00 0.00 55.36 57.02 2cr8 s GLN 13 Cb -0.14 -1.97 0.12 0.00 1.10 0.00 0.00 33.01 32.12 2cr8 s GLN 13 CO 0.05 -1.03 1.10 0.00 -0.55 0.00 0.00 175.29 174.86 2cr8 n THR 15 N -3.14 0.48 -0.06 0.00 5.66 -1.26 -3.93 114.28 112.03 2cr8 n THR 15 Ca 0.12 -0.33 -0.04 0.00 -3.05 0.00 0.00 64.05 60.76 2cr8 n THR 15 Cb 0.60 -0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 68.74 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 -0.00 1.09 4.39 -1.96 -3.40 114.58 114.70 2cr8 h GLU 16 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2cr8 h GLU 16 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2cr8 h GLU 16 CO 0.01 0.00 -0.43 0.00 -1.16 0.00 0.00 179.01 177.43 2cr8 n LYS 18 N -1.27 -2.36 -4.69 0.00 4.01 -1.25 -4.95 118.16 107.65 2cr8 n LYS 18 Ca 0.07 0.44 -0.25 0.00 -0.51 0.00 0.00 58.31 58.06 2cr8 n LYS 18 Cb 0.34 -4.32 -0.16 0.00 -0.51 0.00 0.00 35.03 30.37 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 -6.27 1.70 0.49 1.97 2.47 -1.26 -4.67 119.74 114.18 2cr8 s LYS 19 Ca 0.24 -0.50 -0.23 0.00 -1.56 0.00 0.00 55.97 53.92 2cr8 s LYS 19 Cb -0.09 -1.44 -0.07 0.00 -1.46 0.00 0.00 37.83 34.77 2cr8 s LYS 19 CO 0.87 0.13 1.27 1.19 0.16 0.00 0.00 175.35 178.98 2cr8 n PHE 20 N 3.47 2.07 -3.77 4.03 3.72 -1.26 -2.58 117.46 123.13 2cr8 n PHE 20 Ca -0.20 0.46 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2cr8 n PHE 20 Cb 0.53 -2.35 -0.11 0.00 -0.94 0.00 0.00 39.48 36.61 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 -0.75 -0.30 0.53 4.37 0.01 -0.92 -4.94 114.94 112.94 2cr8 s ASN 21 Ca 0.66 0.58 -0.19 0.00 -0.71 0.00 0.00 52.86 53.20 2cr8 s ASN 21 Cb -0.46 0.58 -0.09 0.00 0.41 0.00 0.00 41.25 41.69 2cr8 s ASN 21 CO 0.54 -0.10 0.56 -1.20 -1.51 0.00 0.00 177.10 175.39 2cr8 n SER 22 N 2.97 -0.84 0.00 -1.22 7.64 -1.26 -1.97 113.62 118.93 2cr8 n SER 22 Ca -0.13 0.79 0.07 0.00 1.01 0.00 0.00 58.87 60.61 2cr8 n SER 22 Cb 0.58 -1.18 0.40 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.07 0.29 -0.03 1.43 -0.04 -1.26 -2.88 135.00 132.59 2cr8 n PRO 23 Ca 0.11 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 2cr8 n PRO 23 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cr8 h SER 24 N 0.00 0.26 -2.68 3.54 0.02 -2.02 -3.45 113.55 109.22 2cr8 h SER 24 Ca 0.00 -0.79 -0.55 0.00 -0.84 0.00 0.00 61.79 59.61 2cr8 h SER 24 Cb 0.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2cr8 h SER 24 CO 0.00 1.58 1.07 -0.54 -1.14 0.00 0.00 176.83 177.80 2cr8 s LYS 25 N -2.44 4.09 -0.03 3.45 1.02 -1.14 -4.90 119.74 119.79 2cr8 s LYS 25 Ca -0.22 1.99 -0.21 0.00 0.02 0.00 0.00 55.97 57.55 2cr8 s LYS 25 Cb 0.05 -3.97 -0.30 0.00 -0.52 0.00 0.00 37.83 33.09 2cr8 s LYS 25 CO 0.72 -0.94 0.96 -0.09 -0.92 0.00 0.00 175.35 175.07 2cr8 h ARG 26 N 9.68 0.35 -4.38 1.68 9.65 -1.88 -3.42 114.38 126.06 2cr8 h ARG 26 Ca -0.36 -0.52 -0.73 0.00 -1.10 0.00 0.00 59.98 57.27 2cr8 h ARG 26 Cb 1.16 0.18 -0.25 0.00 -1.39 0.00 0.00 29.97 29.68 2cr8 h ARG 26 CO 0.97 1.22 -0.40 0.71 2.80 0.00 0.00 179.97 185.27 2cr8 s TYR 27 N -2.65 3.28 -0.33 2.20 1.51 -1.26 -3.15 117.35 116.94 2cr8 s TYR 27 Ca -0.13 -1.15 -0.30 0.00 -1.01 0.00 0.00 57.07 54.48 2cr8 s TYR 27 Cb 0.02 -3.03 -0.13 0.00 -0.11 0.00 0.00 41.96 38.71 2cr8 s TYR 27 CO 0.84 -0.80 1.17 0.00 -1.11 0.00 0.00 175.55 175.64 2cr8 n PHE 29 N 3.37 0.35 0.00 0.00 7.35 -1.26 -1.14 117.46 126.13 2cr8 n PHE 29 Ca 0.25 -1.22 0.00 0.00 -0.76 0.00 0.00 57.45 55.72 2cr8 n PHE 29 Cb -0.04 -0.61 0.00 0.00 0.35 0.00 0.00 39.48 39.19 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 1.24 0.00 0.00 -4.13 3.00 -1.26 -4.90 116.66 110.61 2cr8 n ARG 30 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2cr8 n ARG 30 Cb 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.38 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 -0.00 -2.17 -4.26 0.00 7.02 -0.29 -5.00 117.44 112.72 2cr8 n TRP 32 Ca 0.00 0.86 -0.31 0.00 -1.02 0.00 0.00 57.50 57.03 2cr8 n TRP 32 Cb 0.14 -4.55 -0.16 0.00 -2.42 0.00 0.00 31.31 24.32 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 -3.45 1.98 0.23 6.99 0.00 -1.25 -4.91 121.76 121.35 2cr8 s ALA 33 Ca 0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2cr8 s ALA 33 Cb -0.03 -1.02 -0.15 0.00 0.00 0.00 0.00 23.12 21.93 2cr8 s ALA 33 CO 0.76 -0.24 1.06 -0.11 0.00 0.00 0.00 175.76 177.23 2cr8 n LEU 34 N 4.48 1.52 0.00 0.00 -0.00 -1.26 -3.25 117.00 118.49 2cr8 n LEU 34 Ca -0.19 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2cr8 n LEU 34 Cb 0.51 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 2cr8 n LEU 34 CO 0.24 -1.43 0.37 0.54 -0.00 0.00 0.00 177.39 177.11 2cr8 n ARG 35 N 1.23 0.00 -3.75 1.96 1.74 -1.19 -4.91 116.66 111.75 2cr8 n ARG 35 Ca 0.13 0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 57.46 2cr8 n ARG 35 Cb 0.28 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2cr8 s LYS 36 N -1.94 0.78 -0.23 5.56 -0.14 -1.26 -4.89 119.74 117.62 2cr8 s LYS 36 Ca 0.00 -0.40 -0.01 0.00 -1.36 0.00 0.00 55.97 54.19 2cr8 s LYS 36 Cb 0.00 0.34 0.11 0.00 -1.68 0.00 0.00 37.83 36.60 2cr8 s LYS 36 CO 0.00 -0.24 2.23 -0.40 -0.76 0.00 0.00 175.35 176.18 2cr8 n ASP 37 N 0.77 6.11 -1.72 2.83 5.68 -1.26 -4.23 116.55 124.73 2cr8 n ASP 37 Ca -0.19 -2.88 -0.17 0.00 -0.50 0.00 0.00 54.79 51.05 2cr8 n ASP 37 Cb 0.58 -1.13 0.06 0.00 -1.14 0.00 0.00 41.12 39.50 2cr8 n ASP 37 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2cr8 n TRP 38 N 0.86 2.12 -0.03 2.11 7.02 -1.26 -4.78 117.44 123.48 2cr8 n TRP 38 Ca 0.26 -2.06 -0.13 0.00 -1.02 0.00 0.00 57.50 54.56 2cr8 n TRP 38 Cb 0.58 -0.32 -0.08 0.00 -2.42 0.00 0.00 31.31 29.07 2cr8 n TRP 38 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2cr8 h TYR 39 N 1.92 0.21 -3.00 -5.99 -0.00 -2.05 -3.38 116.97 104.68 2cr8 h TYR 39 Ca 0.28 -0.06 -0.62 0.00 -0.00 0.00 0.00 58.73 58.33 2cr8 h TYR 39 Cb 1.42 -0.05 -0.41 0.00 -0.00 0.00 0.00 36.73 37.70 2cr8 h TYR 39 CO 0.82 0.60 -0.67 -1.12 -0.00 0.00 0.00 178.16 177.79 2cr8 s SER 40 N -5.88 4.00 -0.52 0.10 0.01 -1.26 -5.00 113.70 105.14 2cr8 s SER 40 Ca -0.15 -3.40 0.04 0.00 1.31 0.00 0.00 55.95 53.75 2cr8 s SER 40 Cb 0.04 -1.34 0.16 0.00 0.21 0.00 0.00 66.02 65.08 2cr8 s SER 40 CO 0.71 -0.15 0.37 -0.62 0.41 0.00 0.00 173.24 173.96 2cr8 s ASP 41 N -0.73 3.25 -0.89 2.44 2.15 -1.26 -5.06 116.67 116.57 2cr8 s ASP 41 Ca 0.24 -3.23 -0.25 0.00 0.43 0.00 0.00 52.55 49.74 2cr8 s ASP 41 Cb -0.10 -1.03 0.01 0.00 -0.30 0.00 0.00 42.92 41.50 2cr8 s ASP 41 CO -0.12 -0.17 1.64 0.00 -0.17 0.00 0.00 175.17 176.36 2cr8 s SER 43 N 6.19 4.80 -0.10 0.00 1.04 -1.26 -5.09 113.70 119.28 2cr8 s SER 43 Ca 0.55 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 2cr8 s SER 43 Cb -0.05 -1.44 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 2cr8 s SER 43 CO 0.01 0.30 0.97 -0.75 0.98 0.00 0.00 173.24 174.75 2cr8 s LYS 44 N -0.41 4.42 -0.46 4.02 2.36 -1.26 -4.92 119.74 123.49 2cr8 s LYS 44 Ca 0.07 1.33 -0.41 0.00 -2.55 0.00 0.00 55.97 54.40 2cr8 s LYS 44 Cb -0.12 -3.53 -0.18 0.00 -1.05 0.00 0.00 37.83 32.95 2cr8 s LYS 44 CO 0.02 -0.28 1.90 1.28 1.55 0.00 0.00 175.35 179.82 2cr8 n LEU 45 N 4.87 0.77 0.04 5.43 4.32 -1.26 -4.79 117.00 126.39 2cr8 n LEU 45 Ca 0.08 0.72 0.07 0.00 -0.02 0.00 0.00 56.01 56.85 2cr8 n LEU 45 Cb 0.49 -0.83 -0.08 0.00 -1.62 0.00 0.00 43.42 41.37 2cr8 n LEU 45 CO 0.51 -0.73 -0.38 1.07 -1.22 0.00 0.00 177.39 176.65 2cr8 n THR 46 N 5.62 0.63 -1.69 -5.08 5.66 -1.26 -4.95 114.28 113.21 2cr8 n THR 46 Ca 0.47 -0.59 -0.35 0.00 -3.05 0.00 0.00 64.05 60.52 2cr8 n THR 46 Cb -0.04 -0.34 0.07 0.00 -1.55 0.00 0.00 70.33 68.47 2cr8 n THR 46 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2cr8 s HIS 47 N -3.24 2.17 -0.17 1.09 3.76 -1.26 -5.01 115.29 112.64 2cr8 s HIS 47 Ca -0.04 1.54 -0.07 0.00 -0.15 0.00 0.00 55.06 56.34 2cr8 s HIS 47 Cb 0.10 -3.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 2cr8 s HIS 47 CO 0.83 -2.55 0.08 -1.54 -0.85 0.00 0.00 174.74 170.71 2cr8 s SER 48 N -1.76 5.78 0.00 1.40 1.04 -1.26 -5.00 113.70 113.89 2cr8 s SER 48 Ca 0.77 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2cr8 s SER 48 Cb -0.31 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2cr8 s SER 48 CO 0.40 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.45 2cr8 n GLY 49 N 3.21 -2.04 0.23 7.32 0.00 -1.26 -5.04 105.19 107.62 2cr8 n GLY 49 Ca -0.17 0.97 -0.13 0.00 0.00 0.00 0.00 46.02 46.69 2cr8 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr8 h PRO 50 N 0.00 0.80 0.00 1.61 0.13 -2.04 -3.42 132.00 129.08 2cr8 h PRO 50 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2cr8 h PRO 50 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2cr8 h PRO 50 CO 0.00 1.05 -0.57 0.43 -0.23 0.00 0.00 178.00 178.69 2cr8 n SER 51 N -4.18 0.02 -4.49 1.44 7.64 -1.26 -5.02 113.62 107.76 2cr8 n SER 51 Ca -0.03 0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.45 2cr8 n SER 51 Cb 0.50 -0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 2cr8 n SER 51 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cr8 n SER 52 N -2.81 -1.32 0.00 6.43 3.41 -1.26 -5.30 113.62 112.76 2cr8 n SER 52 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2cr8 n SER 52 Cb 0.28 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49