#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 2.17 0.13 1.61 0.01 -1.26 -5.12 113.70 111.24 2cr8 s SER 2 Ca 0.00 -0.35 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 2cr8 s SER 2 Cb 0.00 -0.68 0.08 0.00 0.21 0.00 0.00 66.02 65.62 2cr8 s SER 2 CO 0.00 -0.18 0.65 -0.44 0.41 0.00 0.00 173.24 173.68 2cr8 s SER 3 N 1.81 -0.53 -0.30 2.44 0.01 -1.26 -5.16 113.70 110.71 2cr8 s SER 3 Ca 0.04 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 2cr8 s SER 3 Cb -0.13 0.56 0.19 0.00 0.21 0.00 0.00 66.02 66.85 2cr8 s SER 3 CO -0.07 -0.91 0.75 -0.83 0.41 0.00 0.00 173.24 172.59 2cr8 s GLY 4 N -2.71 -0.87 -0.20 3.44 0.00 -1.26 -5.14 107.32 100.59 2cr8 s GLY 4 Ca 0.02 1.97 -0.01 0.00 0.00 0.00 0.00 44.72 46.70 2cr8 s GLY 4 CO -0.12 3.61 -0.13 -0.56 0.00 0.00 0.00 173.10 175.90 2cr8 s SER 5 N 2.89 3.69 -0.31 1.64 0.01 -1.26 -5.00 113.70 115.36 2cr8 s SER 5 Ca 0.14 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.96 2cr8 s SER 5 Cb -0.12 -1.60 0.46 0.00 0.21 0.00 0.00 66.02 64.97 2cr8 s SER 5 CO -0.19 -0.00 1.17 -1.54 0.41 0.00 0.00 173.24 173.08 2cr8 n SER 6 N 4.67 4.59 0.00 2.44 3.41 -1.26 -5.09 113.62 122.38 2cr8 n SER 6 Ca -0.20 -3.60 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 2cr8 n SER 6 Cb 0.50 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2cr8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr8 n GLY 7 N -0.65 -0.63 3.57 5.00 0.00 -1.26 -4.81 105.19 106.41 2cr8 n GLY 7 Ca 0.40 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 4.83 -0.40 1.61 1.04 -1.26 -4.76 113.70 110.76 2cr8 s SER 8 Ca 0.00 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 2cr8 s SER 8 Cb 0.00 -2.58 0.22 0.00 0.10 0.00 0.00 66.02 63.76 2cr8 s SER 8 CO 0.00 -3.21 2.18 -0.62 0.98 0.00 0.00 173.24 172.57 2cr8 n GLU 9 N 8.46 2.07 -3.91 4.02 -0.58 -1.26 -4.75 120.64 124.69 2cr8 n GLU 9 Ca 0.43 -2.00 -0.30 0.00 -0.42 0.00 0.00 57.16 54.87 2cr8 n GLU 9 Cb 0.46 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 2cr8 n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cr8 s ASP 10 N -0.09 4.20 0.15 1.62 1.11 -1.26 -5.07 116.67 117.33 2cr8 s ASP 10 Ca 0.42 -2.91 -0.20 0.00 0.18 0.00 0.00 52.55 50.03 2cr8 s ASP 10 Cb 0.31 -1.53 0.05 0.00 1.07 0.00 0.00 42.92 42.83 2cr8 s ASP 10 CO -0.06 -0.24 0.51 -1.61 1.18 0.00 0.00 175.17 174.95 2cr8 s GLU 11 N -0.13 1.19 -0.22 8.23 2.02 -1.26 -4.35 118.70 124.17 2cr8 s GLU 11 Ca 0.17 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.53 2cr8 s GLU 11 Cb -0.25 0.54 -0.02 0.00 0.10 0.00 0.00 34.13 34.49 2cr8 s GLU 11 CO -0.00 -0.50 0.01 1.67 0.02 0.00 0.00 175.26 176.46 2cr8 s TRP 12 N -3.77 3.03 0.36 1.61 1.48 -0.90 -4.93 118.94 115.82 2cr8 s TRP 12 Ca 0.02 -0.58 -0.27 0.00 -1.06 0.00 0.00 56.10 54.22 2cr8 s TRP 12 Cb 0.00 -2.15 -0.09 0.00 -1.16 0.00 0.00 33.47 30.07 2cr8 s TRP 12 CO -0.12 -0.37 1.14 -1.14 -4.06 0.00 0.00 176.95 172.40 2cr8 s GLN 13 N 1.36 4.28 0.72 3.25 2.00 -1.26 -2.45 119.66 127.55 2cr8 s GLN 13 Ca 0.05 1.81 -0.11 0.00 -2.00 0.00 0.00 55.36 55.10 2cr8 s GLN 13 Cb -0.15 -2.85 0.02 0.00 0.80 0.00 0.00 33.01 30.84 2cr8 s GLN 13 CO 0.01 -0.12 1.09 0.00 -0.50 0.00 0.00 175.29 175.77 2cr8 n THR 15 N -3.09 0.00 -0.03 0.00 5.66 -1.26 -3.50 114.28 112.06 2cr8 n THR 15 Ca 0.07 -0.33 -0.02 0.00 -3.05 0.00 0.00 64.05 60.71 2cr8 n THR 15 Cb 0.56 0.29 -0.01 0.00 -1.55 0.00 0.00 70.33 69.63 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 -1.95 0.17 0.10 1.09 1.02 -1.26 -4.59 120.64 115.22 2cr8 n GLU 16 Ca -0.02 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 2cr8 n GLU 16 Cb 0.41 -1.05 0.13 0.00 -0.02 0.00 0.00 31.44 30.91 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cr8 n LYS 18 N -2.47 -5.60 -3.88 0.00 4.76 -1.23 -4.99 118.16 104.75 2cr8 n LYS 18 Ca 0.02 0.69 -0.23 0.00 -2.87 0.00 0.00 58.31 55.93 2cr8 n LYS 18 Cb 0.49 -5.26 -0.05 0.00 -1.84 0.00 0.00 35.03 28.37 2cr8 n LYS 18 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2cr8 s LYS 19 N -5.26 2.39 -0.51 1.97 -0.14 -1.26 -4.69 119.74 112.24 2cr8 s LYS 19 Ca 0.07 -1.65 -0.18 0.00 -1.36 0.00 0.00 55.97 52.84 2cr8 s LYS 19 Cb -0.03 -2.19 0.07 0.00 -1.68 0.00 0.00 37.83 33.99 2cr8 s LYS 19 CO 0.60 -0.11 0.60 -0.06 -0.76 0.00 0.00 175.35 175.62 2cr8 s PHE 20 N -2.51 3.08 0.10 3.18 0.08 -1.26 -0.46 117.98 120.19 2cr8 s PHE 20 Ca 0.43 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2cr8 s PHE 20 Cb -0.00 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2cr8 s PHE 20 CO 0.25 -1.02 0.23 -0.80 -0.10 0.00 0.00 175.22 173.77 2cr8 s ASN 21 N 2.78 6.24 0.51 1.36 0.02 -1.03 -4.95 114.94 119.87 2cr8 s ASN 21 Ca 0.13 0.19 -0.22 0.00 -1.02 0.00 0.00 52.86 51.94 2cr8 s ASN 21 Cb -0.21 -1.88 -0.06 0.00 0.02 0.00 0.00 41.25 39.13 2cr8 s ASN 21 CO 0.10 0.12 1.22 -0.44 0.02 0.00 0.00 177.10 178.12 2cr8 s SER 22 N -2.83 5.76 0.00 -1.22 0.01 -1.26 -2.12 113.70 112.04 2cr8 s SER 22 Ca 0.34 2.43 0.11 0.00 1.31 0.00 0.00 55.95 60.14 2cr8 s SER 22 Cb -0.12 -2.61 0.67 0.00 0.21 0.00 0.00 66.02 64.17 2cr8 s SER 22 CO 0.27 -1.21 1.10 -0.81 0.41 0.00 0.00 173.24 173.01 2cr8 n PRO 23 N -0.84 0.49 -0.11 12.44 -0.04 -1.26 -2.96 135.00 142.71 2cr8 n PRO 23 Ca 0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 2cr8 n PRO 23 Cb 0.48 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.86 1.92 -4.75 3.54 3.41 -1.26 -4.93 113.62 110.70 2cr8 n SER 24 Ca 0.08 0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 2cr8 n SER 24 Cb 0.04 -0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 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 -2.45 4.43 -0.10 4.33 -0.14 -1.16 -4.97 119.74 119.68 2cr8 s LYS 25 Ca -0.33 2.04 -0.02 0.00 -1.36 0.00 0.00 55.97 56.30 2cr8 s LYS 25 Cb 0.10 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 2cr8 s LYS 25 CO 0.56 -0.14 0.04 -0.09 -0.76 0.00 0.00 175.35 174.96 2cr8 h ARG 26 N 4.56 -0.00 -6.88 1.68 2.43 -1.92 -3.46 114.38 110.79 2cr8 h ARG 26 Ca -0.46 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.25 2cr8 h ARG 26 Cb 1.22 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.81 2cr8 h ARG 26 CO 0.72 0.05 0.01 1.52 -1.51 0.00 0.00 179.97 180.77 2cr8 s TYR 27 N -1.59 3.09 -0.25 2.20 -0.85 -1.26 -3.69 117.35 115.00 2cr8 s TYR 27 Ca -0.01 0.26 -0.29 0.00 -0.52 0.00 0.00 57.07 56.51 2cr8 s TYR 27 Cb -0.00 -2.62 0.01 0.00 0.38 0.00 0.00 41.96 39.73 2cr8 s TYR 27 CO 0.04 -0.71 1.03 0.00 -1.52 0.00 0.00 175.55 174.38 2cr8 n PHE 29 N 6.38 0.17 0.00 0.00 7.35 -1.26 -0.71 117.46 129.39 2cr8 n PHE 29 Ca 0.11 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2cr8 n PHE 29 Cb 0.46 -0.09 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 -2.13 -0.76 0.00 0.00 176.76 173.87 2cr8 n ARG 30 N -0.07 1.81 -1.05 -4.13 3.00 -1.26 -4.81 116.66 110.15 2cr8 n ARG 30 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.92 2cr8 n ARG 30 Cb 0.24 -0.96 0.08 0.00 0.00 0.00 0.00 32.46 31.82 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 -0.89 -3.63 0.00 7.02 0.11 -4.86 117.44 115.05 2cr8 n TRP 32 Ca 0.10 0.22 -0.39 0.00 -1.02 0.00 0.00 57.50 56.40 2cr8 n TRP 32 Cb 0.94 -1.89 -0.10 0.00 -2.42 0.00 0.00 31.31 27.84 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 -3.97 3.27 0.10 6.99 0.00 -1.20 -4.82 121.76 122.13 2cr8 s ALA 33 Ca 0.17 -2.29 -0.31 0.00 0.00 0.00 0.00 51.96 49.53 2cr8 s ALA 33 Cb -0.10 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 2cr8 s ALA 33 CO 0.67 -1.72 1.29 -1.17 0.00 0.00 0.00 175.76 174.83 2cr8 s LEU 34 N 1.36 4.38 0.44 0.00 0.20 -1.26 -0.66 118.68 123.14 2cr8 s LEU 34 Ca 0.04 2.19 -0.21 0.00 0.69 0.00 0.00 54.13 56.84 2cr8 s LEU 34 Cb -0.24 -3.59 -0.13 0.00 -0.43 0.00 0.00 46.19 41.80 2cr8 s LEU 34 CO 0.00 -0.55 0.30 -2.11 -0.29 0.00 0.00 176.35 173.70 2cr8 n ARG 35 N 3.78 0.29 -2.60 1.98 1.85 -1.24 -4.95 116.66 115.77 2cr8 n ARG 35 Ca 0.10 0.11 -0.27 0.00 -1.00 0.00 0.00 57.85 56.78 2cr8 n ARG 35 Cb 0.44 -1.29 0.01 0.00 -1.05 0.00 0.00 32.46 30.57 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2cr8 s LYS 36 N -1.36 3.42 -0.52 2.89 2.47 -1.26 -4.97 119.74 120.41 2cr8 s LYS 36 Ca 0.62 0.15 -0.26 0.00 -1.56 0.00 0.00 55.97 54.91 2cr8 s LYS 36 Cb -0.59 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.38 2cr8 s LYS 36 CO 0.60 -0.30 2.12 -0.51 0.16 0.00 0.00 175.35 177.43 2cr8 s ASP 37 N -4.15 4.94 -0.98 1.43 1.11 -1.26 -3.71 116.67 114.05 2cr8 s ASP 37 Ca 0.49 0.81 -0.13 0.00 0.18 0.00 0.00 52.55 53.89 2cr8 s ASP 37 Cb -0.10 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.39 2cr8 s ASP 37 CO 0.45 -2.55 0.25 1.87 1.18 0.00 0.00 175.17 176.37 2cr8 n TRP 38 N 14.00 -0.93 -1.64 4.23 -0.00 -1.26 -4.66 117.44 127.17 2cr8 n TRP 38 Ca 0.28 0.23 -0.57 0.00 -0.00 0.00 0.00 57.50 57.45 2cr8 n TRP 38 Cb 0.53 -1.97 -0.07 0.00 -0.00 0.00 0.00 31.31 29.80 2cr8 n TRP 38 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 2cr8 n TYR 39 N -3.73 1.65 -2.09 5.87 4.11 -1.24 -4.87 117.16 116.86 2cr8 n TYR 39 Ca -0.16 0.70 -0.28 0.00 -0.00 0.00 0.00 57.90 58.17 2cr8 n TYR 39 Cb 0.45 -2.34 0.02 0.00 -0.00 0.00 0.00 39.34 37.46 2cr8 n TYR 39 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2cr8 n SER 40 N 3.69 5.38 -0.13 9.48 2.88 -1.26 -4.66 113.62 129.00 2cr8 n SER 40 Ca 0.23 -3.75 -0.19 0.00 -1.33 0.00 0.00 58.87 53.83 2cr8 n SER 40 Cb 0.13 -0.51 -0.12 0.00 -0.75 0.00 0.00 64.21 62.96 2cr8 n SER 40 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2cr8 n ASP 41 N -0.64 2.01 -4.78 -3.46 5.68 -1.26 -4.98 116.55 109.11 2cr8 n ASP 41 Ca 0.45 -0.10 -0.33 0.00 -0.50 0.00 0.00 54.79 54.30 2cr8 n ASP 41 Cb 0.77 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.34 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cr8 h SER 43 N 0.52 0.38 -3.51 0.00 4.64 -1.99 -3.41 113.55 110.18 2cr8 h SER 43 Ca -0.48 0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 2cr8 h SER 43 Cb 1.24 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2cr8 h SER 43 CO 0.56 0.26 0.53 -0.54 -0.87 0.00 0.00 176.83 176.77 2cr8 s LYS 44 N -6.14 4.52 0.05 4.77 -0.14 -1.26 -4.93 119.74 116.62 2cr8 s LYS 44 Ca -0.13 1.82 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 2cr8 s LYS 44 Cb 0.13 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2cr8 s LYS 44 CO 0.73 -0.04 0.00 1.28 -0.76 0.00 0.00 175.35 176.57 2cr8 n LEU 45 N 2.47 0.39 -4.09 3.17 4.32 -1.26 -4.94 117.00 117.05 2cr8 n LEU 45 Ca 0.04 0.07 -0.36 0.00 -0.02 0.00 0.00 56.01 55.74 2cr8 n LEU 45 Cb 0.45 -0.10 0.06 0.00 -1.62 0.00 0.00 43.42 42.21 2cr8 n LEU 45 CO 0.55 -0.35 -1.26 1.07 -1.22 0.00 0.00 177.39 176.19 2cr8 n THR 46 N -3.17 0.00 -3.41 -5.08 5.66 -1.26 -3.40 114.28 103.62 2cr8 n THR 46 Ca 0.00 -0.31 -0.20 0.00 -3.05 0.00 0.00 64.05 60.49 2cr8 n THR 46 Cb 0.26 -0.15 0.07 0.00 -1.55 0.00 0.00 70.33 68.96 2cr8 n THR 46 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2cr8 n HIS 47 N -3.08 -2.39 -0.08 1.09 8.25 -1.26 -4.95 115.22 112.80 2cr8 n HIS 47 Ca -0.00 0.87 -0.11 0.00 -0.26 0.00 0.00 57.72 58.21 2cr8 n HIS 47 Cb 0.61 -4.51 -0.06 0.00 1.12 0.00 0.00 29.99 27.15 2cr8 n HIS 47 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2cr8 h SER 48 N -2.22 0.00 -3.44 0.41 0.87 -1.99 -3.46 113.55 103.73 2cr8 h SER 48 Ca -0.49 -0.24 -0.61 0.00 -1.23 0.00 0.00 61.79 59.22 2cr8 h SER 48 Cb 1.31 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.90 2cr8 h SER 48 CO 0.47 1.03 -0.81 -0.83 -0.53 0.00 0.00 176.83 176.16 2cr8 s GLY 49 N -4.42 1.23 0.02 5.77 0.00 -1.26 -4.98 107.32 103.68 2cr8 s GLY 49 Ca -0.19 -1.18 0.15 0.00 0.00 0.00 0.00 44.72 43.50 2cr8 s GLY 49 CO 0.36 0.75 1.48 -1.55 0.00 0.00 0.00 173.10 174.14 2cr8 n PRO 50 N 4.70 0.02 -3.25 2.90 -0.04 -1.26 -4.88 135.00 133.18 2cr8 n PRO 50 Ca -0.14 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 2cr8 n PRO 50 Cb 0.46 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2cr8 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr8 n SER 51 N -1.56 -4.39 -3.95 3.54 2.88 -1.26 -5.03 113.62 103.85 2cr8 n SER 51 Ca 0.03 -0.42 -0.14 0.00 -1.33 0.00 0.00 58.87 57.01 2cr8 n SER 51 Cb 0.17 -3.92 -0.14 0.00 -0.75 0.00 0.00 64.21 59.58 2cr8 n SER 51 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr8 s SER 52 N -3.45 0.50 0.00 -3.46 0.15 -1.26 -5.33 113.70 100.85 2cr8 s SER 52 Ca 0.32 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2cr8 s SER 52 Cb -0.14 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2cr8 s SER 52 CO 0.55 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.60