#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 3.76 0.27 1.61 1.04 -1.26 -5.12 113.70 113.99 2cr8 s SER 2 Ca 0.00 -1.27 -0.29 0.00 0.48 0.00 0.00 55.95 54.87 2cr8 s SER 2 Cb 0.00 -0.36 -0.09 0.00 0.10 0.00 0.00 66.02 65.66 2cr8 s SER 2 CO 0.00 -0.31 1.03 -0.55 0.98 0.00 0.00 173.24 174.39 2cr8 s SER 3 N -3.64 7.40 0.00 7.02 0.15 -1.26 -4.89 113.70 118.48 2cr8 s SER 3 Ca 0.33 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2cr8 s SER 3 Cb 0.06 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2cr8 s SER 3 CO 0.17 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2cr8 n GLY 4 N 1.27 0.36 3.57 9.45 0.00 -1.26 -5.12 105.19 113.46 2cr8 n GLY 4 Ca -0.01 -2.28 -0.08 0.00 0.00 0.00 0.00 46.02 43.65 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 -4.00 -0.36 0.56 1.61 0.01 -1.26 -5.18 113.70 105.08 2cr8 s SER 5 Ca 0.00 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2cr8 s SER 5 Cb 0.00 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2cr8 s SER 5 CO 0.00 -0.83 0.81 -0.44 0.41 0.00 0.00 173.24 173.19 2cr8 s SER 6 N -2.69 5.43 0.00 2.44 0.01 -1.26 -4.59 113.70 113.05 2cr8 s SER 6 Ca 0.06 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2cr8 s SER 6 Cb -0.02 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2cr8 s SER 6 CO -0.06 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.13 2cr8 n GLY 7 N -2.42 3.18 3.60 3.44 0.00 -1.26 -5.06 105.19 106.68 2cr8 n GLY 7 Ca 0.05 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 6.41 -1.21 1.61 1.04 -1.26 -3.35 113.70 116.94 2cr8 s SER 8 Ca 0.00 0.83 -0.06 0.00 0.48 0.00 0.00 55.95 57.20 2cr8 s SER 8 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2cr8 s SER 8 CO 0.00 -1.37 1.04 -0.62 0.98 0.00 0.00 173.24 173.27 2cr8 n GLU 9 N 7.96 -7.00 -3.58 4.02 1.02 -1.26 -4.96 120.64 116.84 2cr8 n GLU 9 Ca 0.16 0.76 -0.39 0.00 -0.02 0.00 0.00 57.16 57.67 2cr8 n GLU 9 Cb 0.48 -5.59 -0.06 0.00 -0.02 0.00 0.00 31.44 26.25 2cr8 n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cr8 s ASP 10 N -3.53 6.03 0.86 1.62 1.11 -1.21 -5.07 116.67 116.47 2cr8 s ASP 10 Ca 0.40 -3.30 -0.12 0.00 0.18 0.00 0.00 52.55 49.71 2cr8 s ASP 10 Cb -0.18 -1.97 0.11 0.00 1.07 0.00 0.00 42.92 41.95 2cr8 s ASP 10 CO 0.67 -0.31 1.11 -1.61 1.18 0.00 0.00 175.17 176.21 2cr8 s GLU 11 N -0.74 1.55 -0.17 8.23 2.02 -1.26 -4.60 118.70 123.73 2cr8 s GLU 11 Ca 0.23 0.58 -0.05 0.00 0.02 0.00 0.00 54.97 55.75 2cr8 s GLU 11 Cb -0.12 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2cr8 s GLU 11 CO -0.09 -1.98 -0.00 1.67 0.02 0.00 0.00 175.26 174.88 2cr8 s TRP 12 N -3.13 3.10 0.51 1.61 1.48 -1.17 -4.91 118.94 116.44 2cr8 s TRP 12 Ca 0.62 -0.18 -0.21 0.00 -1.06 0.00 0.00 56.10 55.28 2cr8 s TRP 12 Cb -0.16 -2.01 -0.06 0.00 -1.16 0.00 0.00 33.47 30.09 2cr8 s TRP 12 CO 0.55 0.02 1.18 -1.14 -4.06 0.00 0.00 176.95 173.50 2cr8 s GLN 13 N 0.39 3.46 0.55 3.25 0.74 -1.26 -2.93 119.66 123.86 2cr8 s GLN 13 Ca -0.01 1.77 -0.01 0.00 0.05 0.00 0.00 55.36 57.16 2cr8 s GLN 13 Cb -0.14 -2.20 0.02 0.00 1.10 0.00 0.00 33.01 31.80 2cr8 s GLN 13 CO 0.02 -0.80 0.80 0.00 -0.55 0.00 0.00 175.29 174.76 2cr8 n THR 15 N -2.38 0.01 -0.11 0.00 5.66 -1.26 -3.46 114.28 112.74 2cr8 n THR 15 Ca 0.05 -0.26 -0.22 0.00 -3.05 0.00 0.00 64.05 60.57 2cr8 n THR 15 Cb 0.59 0.23 -0.10 0.00 -1.55 0.00 0.00 70.33 69.50 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 -1.90 0.56 -0.12 1.09 -0.58 -1.26 -4.57 120.64 113.86 2cr8 n GLU 16 Ca -0.02 0.44 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 2cr8 n GLU 16 Cb 0.30 -1.63 0.11 0.00 -0.57 0.00 0.00 31.44 29.65 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cr8 n LYS 18 N 0.21 -2.30 -3.55 0.00 4.01 -1.22 -4.84 118.16 110.47 2cr8 n LYS 18 Ca 0.08 0.03 -0.37 0.00 -0.51 0.00 0.00 58.31 57.53 2cr8 n LYS 18 Cb 0.37 -4.00 -0.09 0.00 -0.51 0.00 0.00 35.03 30.80 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 -4.86 4.08 0.19 1.97 2.47 -1.26 -4.43 119.74 117.89 2cr8 s LYS 19 Ca 0.17 -0.11 -0.32 0.00 -1.56 0.00 0.00 55.97 54.15 2cr8 s LYS 19 Cb -0.10 -3.57 -0.11 0.00 -1.46 0.00 0.00 37.83 32.59 2cr8 s LYS 19 CO 0.20 -0.03 1.69 -0.06 0.16 0.00 0.00 175.35 177.31 2cr8 s PHE 20 N 1.33 2.89 0.18 4.03 0.40 -1.26 -3.61 117.98 121.94 2cr8 s PHE 20 Ca 0.11 0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.94 2cr8 s PHE 20 Cb -0.14 -4.08 -0.04 0.00 0.51 0.00 0.00 43.02 39.26 2cr8 s PHE 20 CO 0.07 -4.11 -0.21 -0.80 0.70 0.00 0.00 175.22 170.87 2cr8 s ASN 21 N 1.30 3.08 0.19 1.36 0.01 -1.15 -4.97 114.94 114.77 2cr8 s ASN 21 Ca 0.74 -0.86 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 2cr8 s ASN 21 Cb -0.48 -0.21 -0.17 0.00 0.41 0.00 0.00 41.25 40.80 2cr8 s ASN 21 CO 0.32 0.05 0.62 -1.20 -1.51 0.00 0.00 177.10 175.38 2cr8 n SER 22 N 0.27 -0.86 0.03 -1.22 7.64 -1.26 -3.03 113.62 115.18 2cr8 n SER 22 Ca -0.13 1.14 0.08 0.00 1.01 0.00 0.00 58.87 60.97 2cr8 n SER 22 Cb 0.56 -0.99 0.35 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.02 0.04 -0.10 1.43 -0.04 -1.26 -3.20 135.00 132.89 2cr8 n PRO 23 Ca 0.17 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.71 2cr8 n PRO 23 Cb 0.24 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.01 2cr8 n PRO 23 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cr8 h SER 24 N 0.00 0.00 -3.30 3.54 0.87 -1.94 -3.48 113.55 109.24 2cr8 h SER 24 Ca 0.00 -0.49 -0.54 0.00 -1.23 0.00 0.00 61.79 59.53 2cr8 h SER 24 Cb 0.27 0.00 0.21 0.00 -0.44 0.00 0.00 62.40 62.44 2cr8 h SER 24 CO 0.00 1.48 -0.60 0.29 -0.53 0.00 0.00 176.83 177.46 2cr8 n LYS 25 N -4.44 -0.15 -0.13 2.24 4.01 -1.20 -4.97 118.16 113.52 2cr8 n LYS 25 Ca -0.32 -0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.20 2cr8 n LYS 25 Cb 0.67 -1.81 -0.09 0.00 -0.51 0.00 0.00 35.03 33.29 2cr8 n LYS 25 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2cr8 n ARG 26 N -1.28 0.55 -3.58 1.97 3.00 -1.26 -4.94 116.66 111.11 2cr8 n ARG 26 Ca 0.07 0.24 -0.19 0.00 -0.01 0.00 0.00 57.85 57.95 2cr8 n ARG 26 Cb 0.53 -1.42 -0.01 0.00 0.00 0.00 0.00 32.46 31.56 2cr8 n ARG 26 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 2cr8 s TYR 27 N -2.47 3.13 -0.08 -1.55 1.13 -1.26 -2.92 117.35 113.32 2cr8 s TYR 27 Ca -0.36 -0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 54.80 2cr8 s TYR 27 Cb 0.14 -1.91 -0.03 0.00 -1.10 0.00 0.00 41.96 39.07 2cr8 s TYR 27 CO 0.45 0.08 1.16 0.00 -2.51 0.00 0.00 175.55 174.73 2cr8 n PHE 29 N 5.29 0.27 0.00 0.00 7.35 -1.26 -0.66 117.46 128.46 2cr8 n PHE 29 Ca 0.11 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2cr8 n PHE 29 Cb 0.47 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 40.20 2cr8 n PHE 29 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2cr8 n ARG 30 N 0.00 0.30 -0.71 -4.13 3.00 -1.26 -4.81 116.66 109.05 2cr8 n ARG 30 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.93 2cr8 n ARG 30 Cb 0.28 -0.99 0.09 0.00 0.00 0.00 0.00 32.46 31.84 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 -0.45 -0.89 -3.56 0.00 7.02 0.17 -4.85 117.44 114.89 2cr8 n TRP 32 Ca 0.10 0.31 -0.41 0.00 -1.02 0.00 0.00 57.50 56.48 2cr8 n TRP 32 Cb 0.81 -1.92 -0.07 0.00 -2.42 0.00 0.00 31.31 27.72 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 -3.96 3.73 0.12 6.99 0.00 -1.23 -4.79 121.76 122.61 2cr8 s ALA 33 Ca 0.09 -3.18 -0.33 0.00 0.00 0.00 0.00 51.96 48.54 2cr8 s ALA 33 Cb -0.05 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 19.95 2cr8 s ALA 33 CO 0.68 -2.14 1.67 -0.11 0.00 0.00 0.00 175.76 175.86 2cr8 n LEU 34 N 3.85 3.35 -4.76 0.00 7.94 -1.26 -2.63 117.00 123.48 2cr8 n LEU 34 Ca 0.08 1.05 -0.38 0.00 -1.11 0.00 0.00 56.01 55.66 2cr8 n LEU 34 Cb 0.41 -1.45 0.02 0.00 0.53 0.00 0.00 43.42 42.93 2cr8 n LEU 34 CO 0.35 -0.15 0.90 0.00 -1.11 0.00 0.00 177.39 177.37 2cr8 s ARG 35 N 1.62 3.43 0.33 1.96 1.70 -1.15 -4.96 118.95 121.89 2cr8 s ARG 35 Ca 0.81 1.97 0.03 0.00 -0.47 0.00 0.00 55.73 58.08 2cr8 s ARG 35 Cb -0.64 -2.30 -0.06 0.00 -0.57 0.00 0.00 34.95 31.37 2cr8 s ARG 35 CO 0.39 -0.87 0.07 0.15 -1.08 0.00 0.00 175.30 173.96 2cr8 s LYS 36 N -2.84 1.65 -0.28 3.89 1.02 -1.26 -5.00 119.74 116.92 2cr8 s LYS 36 Ca 0.68 -1.92 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 2cr8 s LYS 36 Cb -0.34 -0.78 0.12 0.00 -0.52 0.00 0.00 37.83 36.31 2cr8 s LYS 36 CO 0.40 -0.22 1.03 -0.51 -0.92 0.00 0.00 175.35 175.13 2cr8 s ASP 37 N -3.48 -0.45 -0.44 2.83 1.01 -1.26 -5.11 116.67 109.78 2cr8 s ASP 37 Ca 0.35 0.86 -0.39 0.00 0.71 0.00 0.00 52.55 54.08 2cr8 s ASP 37 Cb 0.08 0.90 -0.17 0.00 1.01 0.00 0.00 42.92 44.74 2cr8 s ASP 37 CO 0.15 -0.15 1.68 0.79 0.21 0.00 0.00 175.17 177.85 2cr8 n TRP 38 N 2.33 1.22 -3.13 4.23 7.02 -1.26 -4.85 117.44 123.01 2cr8 n TRP 38 Ca -0.13 0.80 -0.42 0.00 -1.02 0.00 0.00 57.50 56.73 2cr8 n TRP 38 Cb 0.56 -1.97 -0.07 0.00 -2.42 0.00 0.00 31.31 27.41 2cr8 n TRP 38 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 2cr8 s TYR 39 N 4.20 3.10 -0.63 -5.99 6.14 -1.26 -5.01 117.35 117.89 2cr8 s TYR 39 Ca 0.99 0.07 -0.28 0.00 0.64 0.00 0.00 57.07 58.50 2cr8 s TYR 39 Cb -1.31 -3.24 0.03 0.00 0.42 0.00 0.00 41.96 37.86 2cr8 s TYR 39 CO 0.63 -0.77 1.23 -1.12 0.64 0.00 0.00 175.55 176.16 2cr8 s SER 40 N 1.92 6.34 -0.07 4.32 0.01 -1.26 -4.96 113.70 120.00 2cr8 s SER 40 Ca 0.22 -0.08 -0.38 0.00 1.31 0.00 0.00 55.95 57.02 2cr8 s SER 40 Cb -0.14 -2.56 -0.17 0.00 0.21 0.00 0.00 66.02 63.37 2cr8 s SER 40 CO 0.17 -1.61 1.48 0.47 0.41 0.00 0.00 173.24 174.17 2cr8 n ASP 41 N 8.79 1.83 -3.48 2.44 8.00 -1.26 -4.70 116.55 128.16 2cr8 n ASP 41 Ca 0.07 1.11 -0.48 0.00 0.71 0.00 0.00 54.79 56.20 2cr8 n ASP 41 Cb 0.49 -1.15 -0.07 0.00 -0.02 0.00 0.00 41.12 40.37 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cr8 h SER 43 N 2.92 0.48 0.00 0.00 4.64 -1.99 -3.27 113.55 116.33 2cr8 h SER 43 Ca -0.36 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2cr8 h SER 43 Cb 1.06 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2cr8 h SER 43 CO 0.60 0.29 -0.28 0.50 -0.87 0.00 0.00 176.83 177.07 2cr8 h LYS 44 N 0.62 0.00 -5.85 4.77 1.63 -2.00 -3.43 116.57 112.31 2cr8 h LYS 44 Ca 0.32 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.72 2cr8 h LYS 44 Cb 0.29 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 2cr8 h LYS 44 CO -0.23 0.03 1.10 -0.51 -3.45 0.00 0.00 179.45 176.39 2cr8 s LEU 45 N -8.37 3.24 0.35 5.20 2.01 -1.23 -4.82 118.68 115.07 2cr8 s LEU 45 Ca -0.08 0.00 0.06 0.00 0.01 0.00 0.00 54.13 54.12 2cr8 s LEU 45 Cb 0.01 -2.54 0.74 0.00 0.01 0.00 0.00 46.19 44.41 2cr8 s LEU 45 CO 0.13 -2.58 1.93 0.00 1.01 0.00 0.00 176.35 176.84 2cr8 h THR 46 N 7.09 0.97 -3.33 5.49 1.03 -1.84 -3.34 112.91 118.98 2cr8 h THR 46 Ca -0.12 -0.26 -0.55 0.00 -0.01 0.00 0.00 66.41 65.46 2cr8 h THR 46 Cb 1.11 0.14 -0.03 0.00 -1.07 0.00 0.00 68.15 68.29 2cr8 h THR 46 CO 1.21 0.14 -0.17 -2.28 -0.01 0.00 0.00 175.52 174.41 2cr8 s HIS 47 N -5.70 3.47 0.32 0.00 5.65 -1.26 -4.87 115.29 112.89 2cr8 s HIS 47 Ca -0.10 0.81 0.07 0.00 0.25 0.00 0.00 55.06 56.10 2cr8 s HIS 47 Cb 0.20 -2.20 0.91 0.00 -1.18 0.00 0.00 32.58 30.30 2cr8 s HIS 47 CO 0.78 0.35 1.51 0.45 -0.65 0.00 0.00 174.74 177.17 2cr8 n SER 48 N 0.11 0.02 0.00 9.88 2.88 -1.26 -4.80 113.62 120.45 2cr8 n SER 48 Ca -0.02 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 2cr8 n SER 48 Cb 0.52 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2cr8 n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr8 n GLY 49 N -1.41 2.05 3.70 0.46 0.00 -1.26 -4.93 105.19 103.80 2cr8 n GLY 49 Ca 0.27 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.42 4.30 -0.24 1.61 0.04 -1.26 -5.01 135.00 134.02 2cr8 s PRO 50 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cr8 s PRO 50 Cb 0.00 -3.41 0.07 0.00 0.04 0.00 0.00 34.50 31.20 2cr8 s PRO 50 CO 0.00 -0.50 -0.02 -1.12 0.04 0.00 0.00 177.00 175.40 2cr8 s SER 51 N 1.49 3.80 -0.25 6.66 0.01 -1.26 -4.99 113.70 119.17 2cr8 s SER 51 Ca 0.65 -1.23 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 2cr8 s SER 51 Cb -0.34 -1.11 -0.15 0.00 0.21 0.00 0.00 66.02 64.63 2cr8 s SER 51 CO 0.29 -0.27 -0.15 -1.54 0.41 0.00 0.00 173.24 171.98 2cr8 n SER 52 N 4.71 1.93 0.00 2.44 3.41 -1.26 -5.34 113.62 119.51 2cr8 n SER 52 Ca -0.10 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2cr8 n SER 52 Cb 0.44 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49