#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k36 s SER 2 N 0.00 1.55 0.20 6.55 0.15 -1.26 -5.11 113.70 115.78 1k36 s SER 2 Ca 0.00 -1.69 -0.18 0.00 0.70 0.00 0.00 55.95 54.78 1k36 s SER 2 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1k36 s SER 2 CO 0.00 -1.01 0.53 -0.51 1.20 0.00 0.00 173.24 173.45 1k36 s ILE 3 N -3.53 0.02 0.15 6.45 2.07 -1.26 -3.85 121.20 121.25 1k36 s ILE 3 Ca 0.39 -0.81 -0.03 0.00 -1.41 0.00 0.00 60.65 58.79 1k36 s ILE 3 Cb 0.03 -1.62 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 1k36 s ILE 3 CO 0.24 -0.10 0.13 -0.89 -1.91 0.00 0.00 174.94 172.41 1k36 s THR 4 N -3.88 0.08 0.57 4.00 2.01 -0.03 -4.86 115.64 113.52 1k36 s THR 4 Ca 0.10 -1.78 -0.06 0.00 0.31 0.00 0.00 61.69 60.25 1k36 s THR 4 Cb -0.01 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1k36 s THR 4 CO -0.02 -0.36 0.89 -0.75 -0.69 0.00 0.00 174.62 173.70 1k36 s LYS 5 N -4.04 3.12 0.00 4.92 2.20 -1.26 0.79 119.74 125.47 1k36 s LYS 5 Ca 0.24 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1k36 s LYS 5 Cb 0.06 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1k36 s LYS 5 CO 0.03 -0.58 0.00 0.00 -0.36 0.00 0.00 175.35 174.43 1k36 n SER 7 N 0.00 0.00 -4.92 0.00 2.88 -1.26 -5.11 113.62 105.21 1k36 n SER 7 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1k36 n SER 7 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1k36 n SER 7 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1k36 s SER 8 N 1.60 4.95 -0.20 -3.46 0.15 -1.26 -3.84 113.70 111.63 1k36 s SER 8 Ca 0.00 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1k36 s SER 8 Cb 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1k36 s SER 8 CO 0.00 -1.53 0.00 0.47 1.20 0.00 0.00 173.24 173.38 1k36 n ASP 9 N -2.93 -1.26 0.00 5.45 8.00 -1.26 -4.62 116.55 119.93 1k36 n ASP 9 Ca 0.07 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1k36 n ASP 9 Cb 0.60 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 10 N -2.15 2.01 -3.34 -1.24 1.56 -1.25 -4.83 117.12 107.88 1k36 n MET 10 Ca -0.03 -0.25 -0.30 0.00 -0.27 0.00 0.00 57.70 56.86 1k36 n MET 10 Cb 0.39 -0.73 -0.06 0.00 2.15 0.00 0.00 33.22 34.97 1k36 n MET 10 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1k36 n ASN 11 N -0.36 4.22 -1.01 6.12 2.85 -1.26 -4.77 115.26 121.05 1k36 n ASN 11 Ca 0.00 -3.45 0.05 0.00 -0.11 0.00 0.00 54.58 51.07 1k36 n ASN 11 Cb 0.02 -0.76 0.11 0.00 1.24 0.00 0.00 39.78 40.39 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k36 n GLY 12 N 0.88 3.10 1.25 8.20 0.00 -1.26 -4.85 105.19 112.51 1k36 n GLY 12 Ca 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1k36 n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k36 n TYR 13 N -0.34 -0.43 -3.22 1.61 9.36 -1.26 -5.02 117.16 117.86 1k36 n TYR 13 Ca 0.12 0.08 -0.40 0.00 3.32 0.00 0.00 57.90 61.02 1k36 n TYR 13 Cb 0.90 0.13 -0.07 0.00 -0.63 0.00 0.00 39.34 39.67 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 n LEU 15 N 5.07 2.22 -4.15 0.00 4.77 -1.09 -4.66 117.00 119.16 1k36 n LEU 15 Ca -0.04 0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 1k36 n LEU 15 Cb 0.50 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1k36 n LEU 15 CO 0.42 0.55 0.22 -1.00 -1.33 0.00 0.00 177.39 176.25 1k36 s HIS 16 N -2.46 3.62 -0.51 -1.77 3.76 -1.23 -5.00 115.29 111.71 1k36 s HIS 16 Ca -0.26 -2.65 0.00 0.00 -0.15 0.00 0.00 55.06 51.99 1k36 s HIS 16 Cb 0.06 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1k36 s HIS 16 CO 0.67 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.12 1k36 n GLY 17 N 3.25 -1.26 3.62 -2.22 0.00 -1.26 -0.40 105.19 106.93 1k36 n GLY 17 Ca 0.13 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1k36 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k36 s GLN 18 N -1.21 3.09 0.11 1.61 -1.52 -0.45 -4.92 119.66 116.37 1k36 s GLN 18 Ca 0.00 -0.46 -0.22 0.00 -1.95 0.00 0.00 55.36 52.73 1k36 s GLN 18 Cb 0.00 -2.78 -0.07 0.00 -0.22 0.00 0.00 33.01 29.94 1k36 s GLN 18 CO 0.00 0.60 0.67 0.00 -0.25 0.00 0.00 175.29 176.31 1k36 n ILE 20 N 1.74 0.00 -3.73 0.00 -5.35 -0.71 -4.70 119.36 106.61 1k36 n ILE 20 Ca -0.08 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 1k36 n ILE 20 Cb 0.50 0.33 -0.14 0.00 -1.74 0.00 0.00 39.64 38.59 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k36 s TYR 21 N -6.22 -0.23 0.09 4.28 6.14 0.24 -2.21 117.35 119.44 1k36 s TYR 21 Ca 0.06 0.62 -0.30 0.00 0.64 0.00 0.00 57.07 58.09 1k36 s TYR 21 Cb -0.01 -0.06 -0.05 0.00 0.42 0.00 0.00 41.96 42.26 1k36 s TYR 21 CO 0.05 -0.21 0.98 -0.51 0.64 0.00 0.00 175.55 176.50 1k36 s LEU 22 N 1.37 4.47 -0.04 6.97 1.43 -1.08 -0.85 118.68 130.95 1k36 s LEU 22 Ca -0.08 1.79 0.10 0.00 -1.03 0.00 0.00 54.13 54.92 1k36 s LEU 22 Cb -0.11 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.29 1k36 s LEU 22 CO -0.07 -0.13 0.68 1.62 0.23 0.00 0.00 176.35 178.68 1k36 h VAL 23 N 4.20 0.88 0.00 -1.59 3.04 -1.93 -2.46 116.25 118.39 1k36 h VAL 23 Ca -0.42 -2.72 -0.00 0.00 -1.01 0.00 0.00 66.70 62.55 1k36 h VAL 23 Cb 1.21 2.46 -0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1k36 h VAL 23 CO 0.73 0.55 -0.01 0.44 -1.01 0.00 0.00 177.57 178.27 1k36 h ASP 24 N 0.01 0.00 -2.04 3.17 3.32 -1.92 -3.33 116.42 115.63 1k36 h ASP 24 Ca -0.28 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.26 1k36 h ASP 24 Cb 2.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.15 1k36 h ASP 24 CO 0.08 0.01 -1.10 0.23 -1.72 0.00 0.00 179.24 176.75 1k36 n MET 25 N -3.10 1.28 -0.65 3.56 2.81 -1.25 -5.05 117.12 114.72 1k36 n MET 25 Ca 0.03 -3.59 -0.08 0.00 -1.81 0.00 0.00 57.70 52.25 1k36 n MET 25 Cb 0.50 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1k36 n SER 26 N 0.39 -0.75 -3.54 7.83 3.41 -0.93 -4.52 113.62 115.50 1k36 n SER 26 Ca 0.25 -0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.34 1k36 n SER 26 Cb 0.60 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1k36 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1k36 s GLN 27 N 3.06 0.99 -0.13 4.33 0.74 -1.23 -4.98 119.66 122.44 1k36 s GLN 27 Ca 0.47 0.38 -0.29 0.00 0.05 0.00 0.00 55.36 55.98 1k36 s GLN 27 Cb -0.31 0.47 -0.06 0.00 1.10 0.00 0.00 33.01 34.21 1k36 s GLN 27 CO 0.21 -0.28 1.97 1.21 -0.55 0.00 0.00 175.29 177.85 1k36 s ASN 28 N -0.90 6.05 -0.23 6.67 2.47 -1.26 -2.62 114.94 125.12 1k36 s ASN 28 Ca -0.08 2.11 -0.07 0.00 0.42 0.00 0.00 52.86 55.24 1k36 s ASN 28 Cb -0.01 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1k36 s ASN 28 CO 0.08 -1.45 0.05 -0.47 -3.72 0.00 0.00 177.10 171.59 1k36 s TYR 29 N 6.11 3.09 -0.26 0.43 6.14 -0.94 -4.95 117.35 126.97 1k36 s TYR 29 Ca 0.89 -0.40 0.01 0.00 0.64 0.00 0.00 57.07 58.20 1k36 s TYR 29 Cb -0.34 -2.19 0.05 0.00 0.42 0.00 0.00 41.96 39.89 1k36 s TYR 29 CO 0.36 -0.30 -0.08 0.00 0.64 0.00 0.00 175.55 176.17 1k36 s ARG 31 N 1.21 4.09 0.84 0.00 6.06 -0.95 -4.90 118.95 125.30 1k36 s ARG 31 Ca -0.05 1.00 -0.12 0.00 -2.50 0.00 0.00 55.73 54.06 1k36 s ARG 31 Cb -0.18 -3.71 0.10 0.00 0.06 0.00 0.00 34.95 31.21 1k36 s ARG 31 CO -0.05 -0.77 1.19 0.00 -2.50 0.00 0.00 175.30 173.17 1k36 s GLU 33 N -5.58 3.88 -0.51 0.00 2.12 0.47 -4.83 118.70 114.25 1k36 s GLU 33 Ca 0.63 0.85 -0.34 0.00 0.36 0.00 0.00 54.97 56.47 1k36 s GLU 33 Cb -0.11 -3.84 -0.14 0.00 0.26 0.00 0.00 34.13 30.31 1k36 s GLU 33 CO 0.50 -1.17 2.31 0.28 -0.54 0.00 0.00 175.26 176.64 1k36 n VAL 34 N 6.39 0.09 0.00 3.70 0.31 -1.26 -2.13 118.33 125.43 1k36 n VAL 34 Ca 0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1k36 n VAL 34 Cb 0.48 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1k36 n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k36 n GLY 35 N 6.60 0.46 3.91 2.92 0.00 -1.26 -5.14 105.19 112.68 1k36 n GLY 35 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 1k36 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k36 s TYR 36 N 0.00 1.69 -0.13 1.61 2.02 -0.91 -4.78 117.35 116.85 1k36 s TYR 36 Ca 0.00 0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 1k36 s TYR 36 Cb 0.00 -4.03 -0.08 0.00 -0.40 0.00 0.00 41.96 37.46 1k36 s TYR 36 CO 0.00 -2.62 -0.13 -2.37 -1.57 0.00 0.00 175.55 168.86 1k36 n THR 37 N -3.77 0.74 -1.96 -0.71 5.66 -1.19 -4.91 114.28 108.15 1k36 n THR 37 Ca 0.14 -0.25 -0.31 0.00 -3.05 0.00 0.00 64.05 60.58 1k36 n THR 37 Cb 0.60 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.19 1k36 n THR 37 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k36 s GLY 38 N -5.25 1.75 -0.18 1.09 0.00 -1.26 -4.92 107.32 98.56 1k36 s GLY 38 Ca -0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.50 1k36 s GLY 38 CO 0.28 0.26 2.56 -0.62 0.00 0.00 0.00 173.10 175.58 1k36 n VAL 39 N -2.53 2.72 -1.99 1.40 0.31 -1.26 -3.52 118.33 113.47 1k36 n VAL 39 Ca 0.06 -1.56 -0.05 0.00 -0.01 0.00 0.00 64.34 62.79 1k36 n VAL 39 Cb 0.54 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k36 n ARG 40 N 1.31 0.00 -1.86 5.55 0.00 -1.26 -5.07 116.66 115.33 1k36 n ARG 40 Ca 0.29 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.48 1k36 n ARG 40 Cb 0.64 0.33 0.00 0.00 0.00 0.00 0.00 32.46 33.43 1k36 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k36 n GLU 42 N 1.21 0.00 -5.27 0.00 0.00 -1.26 -2.66 120.64 112.66 1k36 n GLU 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 1k36 n GLU 42 Cb 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.46 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 1k36 s HIS 43 N -1.27 2.39 -0.10 4.31 -3.43 -1.26 -5.06 115.29 110.87 1k36 s HIS 43 Ca 0.00 -0.64 -0.11 0.00 -0.80 0.00 0.00 55.06 53.52 1k36 s HIS 43 Cb 0.00 -1.56 -0.05 0.00 -1.43 0.00 0.00 32.58 29.54 1k36 s HIS 43 CO 0.00 -0.16 0.25 0.12 -2.00 0.00 0.00 174.74 172.94 1k36 s PHE 44 N -0.30 3.59 -0.04 0.38 5.36 -1.26 -3.14 117.98 122.57 1k36 s PHE 44 Ca 0.00 0.66 0.05 0.00 -0.96 0.00 0.00 56.93 56.69 1k36 s PHE 44 Cb -0.13 -2.14 0.08 0.00 -0.34 0.00 0.00 43.02 40.50 1k36 s PHE 44 CO 0.02 0.57 1.01 0.34 -1.46 0.00 0.00 175.22 175.71 1k36 n PHE 45 N 2.40 0.00 0.13 10.12 -0.00 -1.26 -4.96 117.46 123.88 1k36 n PHE 45 Ca -0.16 -0.60 0.02 0.00 -0.00 0.00 0.00 57.45 56.71 1k36 n PHE 45 Cb 0.53 -0.08 0.01 0.00 -0.00 0.00 0.00 39.48 39.95 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04