#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k36 n SER 2 N 0.00 7.21 -4.76 4.52 2.88 -1.26 -5.01 113.62 117.20 1k36 n SER 2 Ca 0.00 -3.77 -0.39 0.00 -1.33 0.00 0.00 58.87 53.38 1k36 n SER 2 Cb 0.00 -1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 62.34 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k36 s ILE 3 N -4.78 4.15 0.22 2.46 2.07 -1.26 -4.19 121.20 119.87 1k36 s ILE 3 Ca 0.46 1.96 0.05 0.00 -1.41 0.00 0.00 60.65 61.71 1k36 s ILE 3 Cb 0.33 -4.22 -0.03 0.00 0.13 0.00 0.00 42.46 38.67 1k36 s ILE 3 CO -0.28 0.41 0.30 -0.89 -1.91 0.00 0.00 174.94 172.57 1k36 s THR 4 N -1.29 5.09 0.11 4.00 2.01 -0.74 -4.81 115.64 120.01 1k36 s THR 4 Ca 0.43 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.48 1k36 s THR 4 Cb -0.24 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1k36 s THR 4 CO 0.29 -0.27 0.03 -0.54 -0.69 0.00 0.00 174.62 173.45 1k36 s LYS 5 N -3.73 2.62 0.00 4.92 -0.14 -1.26 0.44 119.74 122.59 1k36 s LYS 5 Ca 0.34 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 1k36 s LYS 5 Cb -0.09 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 1k36 s LYS 5 CO 0.28 0.52 0.00 0.00 -0.76 0.00 0.00 175.35 175.39 1k36 n SER 7 N 0.00 0.45 -4.89 0.00 2.88 -1.26 -5.04 113.62 105.76 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 7 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 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 1.26 4.82 -0.20 -3.46 0.15 -1.26 -3.64 113.70 111.37 1k36 s SER 8 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1k36 s SER 8 Cb 0.00 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1k36 s SER 8 CO 0.00 -1.72 0.00 -0.67 1.20 0.00 0.00 173.24 172.05 1k36 n ASP 9 N -3.22 -1.23 0.00 5.45 2.03 -1.26 -4.61 116.55 113.71 1k36 n ASP 9 Ca 0.08 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1k36 n ASP 9 Cb 0.60 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k36 n MET 10 N -2.12 -0.22 -3.58 -0.67 1.56 -1.24 -4.97 117.12 105.88 1k36 n MET 10 Ca -0.02 -0.32 -0.27 0.00 -0.27 0.00 0.00 57.70 56.81 1k36 n MET 10 Cb 0.38 -0.81 -0.16 0.00 2.15 0.00 0.00 33.22 34.78 1k36 n MET 10 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1k36 s ASN 11 N -0.06 2.87 -0.11 6.12 4.22 -1.26 -4.86 114.94 121.86 1k36 s ASN 11 Ca 0.00 -0.91 0.15 0.00 -2.14 0.00 0.00 52.86 49.96 1k36 s ASN 11 Cb 0.00 -0.29 0.24 0.00 1.28 0.00 0.00 41.25 42.49 1k36 s ASN 11 CO 0.00 -0.39 1.12 0.61 -2.04 0.00 0.00 177.10 176.40 1k36 n GLY 12 N 5.27 3.94 0.60 0.45 0.00 -1.26 -4.80 105.19 109.39 1k36 n GLY 12 Ca -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.09 0.00 -3.33 1.61 9.36 -1.26 -4.97 117.16 117.49 1k36 n TYR 13 Ca 0.13 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.96 1k36 n TYR 13 Cb 0.66 -0.34 -0.08 0.00 -0.63 0.00 0.00 39.34 38.96 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 4.87 2.36 -4.17 0.00 4.77 -0.89 -4.64 117.00 119.29 1k36 n LEU 15 Ca -0.07 0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.81 1k36 n LEU 15 Cb 0.51 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1k36 n LEU 15 CO 0.40 0.65 0.30 -1.00 -1.33 0.00 0.00 177.39 176.41 1k36 s HIS 16 N -2.49 3.73 -1.27 -1.77 3.76 -1.21 -4.99 115.29 111.06 1k36 s HIS 16 Ca -0.25 -2.67 0.00 0.00 -0.15 0.00 0.00 55.06 51.99 1k36 s HIS 16 Cb 0.06 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.34 1k36 s HIS 16 CO 0.70 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 1k36 n GLY 17 N 3.11 -0.92 3.23 -2.22 0.00 -1.26 -0.52 105.19 106.63 1k36 n GLY 17 Ca 0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.51 2.43 0.19 1.61 -0.21 -0.73 -4.95 119.66 117.50 1k36 s GLN 18 Ca 0.00 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.31 1k36 s GLN 18 Cb 0.00 -2.04 -0.08 0.00 1.00 0.00 0.00 33.01 31.88 1k36 s GLN 18 CO 0.00 0.33 0.77 0.00 -2.12 0.00 0.00 175.29 174.27 1k36 n ILE 20 N 1.24 0.00 -3.77 0.00 -5.35 -0.42 -3.63 119.36 107.44 1k36 n ILE 20 Ca -0.04 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 1k36 n ILE 20 Cb 0.50 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.26 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 -6.78 -0.19 -0.03 4.28 6.14 0.17 -2.46 117.35 118.49 1k36 s TYR 21 Ca 0.00 0.50 -0.22 0.00 0.64 0.00 0.00 57.07 57.99 1k36 s TYR 21 Cb 0.00 -0.02 -0.05 0.00 0.42 0.00 0.00 41.96 42.32 1k36 s TYR 21 CO 0.00 -0.15 0.65 -0.51 0.64 0.00 0.00 175.55 176.18 1k36 s LEU 22 N 0.80 4.37 0.13 6.97 2.01 -1.09 -1.79 118.68 130.09 1k36 s LEU 22 Ca -0.06 1.18 0.20 0.00 0.01 0.00 0.00 54.13 55.47 1k36 s LEU 22 Cb -0.08 -3.01 -0.07 0.00 0.01 0.00 0.00 46.19 43.04 1k36 s LEU 22 CO -0.04 -0.00 0.92 0.55 1.01 0.00 0.00 176.35 178.79 1k36 n VAL 23 N 3.21 0.82 0.96 -1.59 3.14 -1.26 -2.73 118.33 120.87 1k36 n VAL 23 Ca -0.04 -0.60 0.13 0.00 -2.96 0.00 0.00 64.34 60.86 1k36 n VAL 23 Cb 0.51 -0.48 0.58 0.00 -1.06 0.00 0.00 33.84 33.40 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1k36 n ASP 24 N -2.74 0.00 -2.81 6.55 5.68 -1.26 -4.13 116.55 117.84 1k36 n ASP 24 Ca -0.04 0.45 -0.10 0.00 -0.50 0.00 0.00 54.79 54.60 1k36 n ASP 24 Cb 0.67 -0.48 0.03 0.00 -1.14 0.00 0.00 41.12 40.20 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1k36 n MET 25 N -1.48 0.75 -0.69 0.11 0.00 -1.24 -5.07 117.12 109.50 1k36 n MET 25 Ca 0.07 -1.95 -0.10 0.00 0.00 0.00 0.00 57.70 55.72 1k36 n MET 25 Cb 0.31 -1.44 -0.10 0.00 0.00 0.00 0.00 33.22 31.98 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1k36 n SER 26 N 1.73 -0.70 -3.53 6.12 3.41 -1.10 -4.64 113.62 114.91 1k36 n SER 26 Ca 0.11 -0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.27 1k36 n SER 26 Cb 0.61 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.21 1.04 0.29 4.33 0.74 -1.24 -5.01 119.66 123.02 1k36 s GLN 27 Ca 0.58 0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.98 1k36 s GLN 27 Cb -0.37 0.49 -0.11 0.00 1.10 0.00 0.00 33.01 34.12 1k36 s GLN 27 CO 0.25 -0.32 1.58 1.21 -0.55 0.00 0.00 175.29 177.46 1k36 s ASN 28 N -1.13 6.40 -0.08 6.67 3.84 -1.26 -2.65 114.94 126.73 1k36 s ASN 28 Ca -0.10 2.92 0.01 0.00 0.21 0.00 0.00 52.86 55.90 1k36 s ASN 28 Cb -0.00 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 1k36 s ASN 28 CO 0.09 -0.89 -0.10 -0.47 -2.79 0.00 0.00 177.10 172.94 1k36 s TYR 29 N -0.01 1.46 -0.22 0.43 6.14 -1.03 -4.87 117.35 119.26 1k36 s TYR 29 Ca 0.63 -0.62 0.01 0.00 0.64 0.00 0.00 57.07 57.73 1k36 s TYR 29 Cb -0.47 -1.13 0.05 0.00 0.42 0.00 0.00 41.96 40.83 1k36 s TYR 29 CO 0.47 -0.37 -0.10 0.00 0.64 0.00 0.00 175.55 176.20 1k36 s ARG 31 N 1.33 3.78 0.78 0.00 6.06 -0.91 -4.90 118.95 125.09 1k36 s ARG 31 Ca -0.04 0.70 -0.12 0.00 -2.50 0.00 0.00 55.73 53.78 1k36 s ARG 31 Cb -0.18 -3.89 0.06 0.00 0.06 0.00 0.00 34.95 31.01 1k36 s ARG 31 CO -0.07 -1.30 1.14 0.00 -2.50 0.00 0.00 175.30 172.57 1k36 s GLU 33 N -5.45 3.52 -0.52 0.00 2.12 0.33 -4.86 118.70 113.83 1k36 s GLU 33 Ca 0.61 0.28 -0.36 0.00 0.36 0.00 0.00 54.97 55.86 1k36 s GLU 33 Cb -0.11 -4.01 -0.15 0.00 0.26 0.00 0.00 34.13 30.12 1k36 s GLU 33 CO 0.51 -1.67 2.30 1.33 -0.54 0.00 0.00 175.26 177.18 1k36 n VAL 34 N 6.70 0.08 0.00 3.70 0.24 -1.26 -2.13 118.33 125.65 1k36 n VAL 34 Ca 0.09 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1k36 n VAL 34 Cb 0.49 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1k36 n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k36 n GLY 35 N 6.71 0.43 3.89 7.63 0.00 -1.26 -5.14 105.19 117.44 1k36 n GLY 35 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 1.28 -0.18 1.61 2.02 -0.90 -4.74 117.35 116.44 1k36 s TYR 36 Ca 0.00 0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1k36 s TYR 36 Cb 0.00 -4.11 -0.10 0.00 -0.40 0.00 0.00 41.96 37.35 1k36 s TYR 36 CO 0.00 -2.92 -0.19 -2.37 -1.57 0.00 0.00 175.55 168.50 1k36 n THR 37 N -3.96 1.00 -2.04 -0.71 5.66 -1.18 -4.87 114.28 108.18 1k36 n THR 37 Ca 0.16 -0.33 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 1k36 n THR 37 Cb 0.59 -1.36 -0.00 0.00 -1.55 0.00 0.00 70.33 68.01 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 -5.54 1.81 -0.19 1.09 0.00 -1.26 -4.92 107.32 98.30 1k36 s GLY 38 Ca -0.24 0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.47 1k36 s GLY 38 CO 0.37 0.29 2.61 1.55 0.00 0.00 0.00 173.10 177.92 1k36 n VAL 39 N -2.35 2.77 -1.99 1.40 3.14 -1.26 -3.57 118.33 116.47 1k36 n VAL 39 Ca 0.06 -1.64 -0.05 0.00 -2.96 0.00 0.00 64.34 59.75 1k36 n VAL 39 Cb 0.54 -1.61 -0.05 0.00 -1.06 0.00 0.00 33.84 31.66 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1k36 n ARG 40 N 1.31 0.00 -1.93 1.45 0.00 -1.26 -5.07 116.66 111.16 1k36 n ARG 40 Ca 0.30 -0.71 0.00 0.00 -0.00 0.00 0.00 57.85 57.44 1k36 n ARG 40 Cb 0.64 0.36 0.00 0.00 0.00 0.00 0.00 32.46 33.46 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 1.27 0.00 -5.15 0.00 0.00 -1.26 -2.10 120.64 113.39 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1k36 n GLU 42 Cb 0.19 -0.02 -0.17 0.00 0.00 0.00 0.00 31.44 31.44 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 -1.18 2.55 -0.17 4.31 -3.43 -1.26 -5.03 115.29 111.09 1k36 s HIS 43 Ca 0.00 -1.07 -0.21 0.00 -0.80 0.00 0.00 55.06 52.98 1k36 s HIS 43 Cb 0.00 -1.71 -0.03 0.00 -1.43 0.00 0.00 32.58 29.41 1k36 s HIS 43 CO 0.00 -0.44 0.64 0.12 -2.00 0.00 0.00 174.74 173.06 1k36 s PHE 44 N 0.40 3.42 -0.83 0.38 5.36 -1.26 -3.12 117.98 122.33 1k36 s PHE 44 Ca -0.18 0.99 0.22 0.00 -0.96 0.00 0.00 56.93 57.00 1k36 s PHE 44 Cb -0.18 -2.79 -0.12 0.00 -0.34 0.00 0.00 43.02 39.59 1k36 s PHE 44 CO 0.08 -0.10 0.93 0.34 -1.46 0.00 0.00 175.22 175.00 1k36 n PHE 45 N 4.72 0.03 0.94 10.12 7.35 -1.26 -4.95 117.46 134.41 1k36 n PHE 45 Ca -0.02 0.01 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 1k36 n PHE 45 Cb 0.50 -0.15 0.09 0.00 0.35 0.00 0.00 39.48 40.28 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28