#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 7.15 -4.84 -1.34 2.88 -1.26 -5.00 113.62 111.21 1k36 n SER 2 Ca 0.00 -3.45 -0.32 0.00 -1.33 0.00 0.00 58.87 53.77 1k36 n SER 2 Cb 0.00 -1.26 -0.04 0.00 -0.75 0.00 0.00 64.21 62.16 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 -2.84 4.51 0.13 2.46 1.10 -1.26 -4.04 121.20 121.25 1k36 s ILE 3 Ca 0.41 1.24 0.01 0.00 -0.51 0.00 0.00 60.65 61.81 1k36 s ILE 3 Cb 0.15 -3.70 -0.04 0.00 0.15 0.00 0.00 42.46 39.02 1k36 s ILE 3 CO -0.06 -0.65 -0.03 -0.89 -2.11 0.00 0.00 174.94 171.20 1k36 s THR 4 N -2.57 0.61 0.64 4.00 2.01 -0.97 -4.88 115.64 114.47 1k36 s THR 4 Ca 0.59 -1.94 0.01 0.00 0.31 0.00 0.00 61.69 60.66 1k36 s THR 4 Cb -0.10 -1.88 0.12 0.00 0.01 0.00 0.00 72.50 70.66 1k36 s THR 4 CO 0.29 -0.69 0.88 2.29 -0.69 0.00 0.00 174.62 176.70 1k36 n LYS 5 N -0.12 0.06 -0.53 4.92 2.85 -1.26 0.11 118.16 124.20 1k36 n LYS 5 Ca -0.09 -2.52 0.00 0.00 -1.05 0.00 0.00 58.31 54.64 1k36 n LYS 5 Cb 0.62 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.46 1k36 n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k36 n SER 7 N -0.65 0.30 -4.91 0.00 2.88 -1.26 -5.09 113.62 104.90 1k36 n SER 7 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1k36 n SER 7 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1k36 n SER 7 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k36 s SER 8 N 1.00 4.82 -0.67 -3.46 1.04 -1.26 -3.72 113.70 111.45 1k36 s SER 8 Ca 0.00 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1k36 s SER 8 Cb 0.00 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1k36 s SER 8 CO 0.00 -1.67 0.00 -0.67 0.98 0.00 0.00 173.24 171.88 1k36 n ASP 9 N -3.11 -2.10 0.00 7.02 2.03 -1.26 -4.66 116.55 114.47 1k36 n ASP 9 Ca 0.08 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1k36 n ASP 9 Cb 0.60 -2.06 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 -1.90 -0.37 -4.01 -0.67 1.56 -1.24 -4.93 117.12 105.56 1k36 n MET 10 Ca -0.07 -0.44 -0.31 0.00 -0.27 0.00 0.00 57.70 56.60 1k36 n MET 10 Cb 0.35 -0.94 -0.15 0.00 2.15 0.00 0.00 33.22 34.63 1k36 n MET 10 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1k36 s ASN 11 N -0.07 4.69 -0.01 6.12 2.47 -1.26 -4.88 114.94 122.00 1k36 s ASN 11 Ca 0.00 -2.03 0.01 0.00 0.42 0.00 0.00 52.86 51.26 1k36 s ASN 11 Cb 0.00 -1.58 0.01 0.00 -1.45 0.00 0.00 41.25 38.23 1k36 s ASN 11 CO 0.00 -0.36 0.84 0.61 -3.72 0.00 0.00 177.10 174.48 1k36 n GLY 12 N 4.30 -0.41 0.78 1.21 0.00 -1.26 -4.89 105.19 104.92 1k36 n GLY 12 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.07 0.00 -3.33 1.61 9.36 -1.26 -4.98 117.16 118.48 1k36 n TYR 13 Ca 0.01 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.84 1k36 n TYR 13 Cb 0.62 -0.22 -0.08 0.00 -0.63 0.00 0.00 39.34 39.04 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 4.90 2.42 -4.14 0.00 4.77 -1.12 -4.66 117.00 119.16 1k36 n LEU 15 Ca -0.07 0.27 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 1k36 n LEU 15 Cb 0.51 -1.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1k36 n LEU 15 CO 0.40 0.70 0.18 -1.00 -1.33 0.00 0.00 177.39 176.33 1k36 s HIS 16 N -2.50 3.56 -1.97 -1.77 3.76 -1.24 -5.00 115.29 110.13 1k36 s HIS 16 Ca -0.24 -2.66 0.00 0.00 -0.15 0.00 0.00 55.06 52.01 1k36 s HIS 16 Cb 0.06 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.43 1k36 s HIS 16 CO 0.72 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1k36 n GLY 17 N 3.33 -1.12 3.40 -2.22 0.00 -1.26 0.38 105.19 107.71 1k36 n GLY 17 Ca 0.12 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.79 1.49 0.05 1.61 -0.21 -0.72 -4.94 119.66 116.14 1k36 s GLN 18 Ca 0.00 -1.66 -0.01 0.00 0.02 0.00 0.00 55.36 53.72 1k36 s GLN 18 Cb 0.00 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 1k36 s GLN 18 CO 0.00 0.27 0.21 0.00 -2.12 0.00 0.00 175.29 173.64 1k36 n ILE 20 N 0.42 0.00 -3.76 0.00 5.41 0.15 -4.46 119.36 117.12 1k36 n ILE 20 Ca -0.06 -0.23 -0.13 0.00 1.00 0.00 0.00 62.75 63.34 1k36 n ILE 20 Cb 0.51 0.17 -0.13 0.00 -0.71 0.00 0.00 39.64 39.49 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1k36 s TYR 21 N -6.46 -0.26 -0.13 1.39 6.14 0.31 -1.46 117.35 116.89 1k36 s TYR 21 Ca 0.04 0.63 -0.08 0.00 0.64 0.00 0.00 57.07 58.30 1k36 s TYR 21 Cb -0.01 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.36 1k36 s TYR 21 CO 0.03 -0.17 0.16 -0.51 0.64 0.00 0.00 175.55 175.69 1k36 s LEU 22 N 0.83 4.36 0.05 6.97 2.01 -1.08 -2.29 118.68 129.53 1k36 s LEU 22 Ca -0.06 0.47 0.17 0.00 0.01 0.00 0.00 54.13 54.71 1k36 s LEU 22 Cb -0.07 -2.12 -0.14 0.00 0.01 0.00 0.00 46.19 43.86 1k36 s LEU 22 CO -0.05 0.35 0.80 0.55 1.01 0.00 0.00 176.35 179.02 1k36 n VAL 23 N 2.28 1.21 1.37 -1.59 3.14 -1.26 -2.65 118.33 120.83 1k36 n VAL 23 Ca -0.19 -0.70 0.13 0.00 -2.96 0.00 0.00 64.34 60.63 1k36 n VAL 23 Cb 0.54 -0.75 0.71 0.00 -1.06 0.00 0.00 33.84 33.28 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 -2.89 0.00 -2.79 6.55 5.68 -1.26 -3.93 116.55 117.91 1k36 n ASP 24 Ca -0.10 -0.24 -0.10 0.00 -0.50 0.00 0.00 54.79 53.85 1k36 n ASP 24 Cb 0.85 -0.24 0.06 0.00 -1.14 0.00 0.00 41.12 40.65 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1k36 n MET 25 N -1.24 0.88 -0.62 0.11 2.81 -1.24 -5.07 117.12 112.75 1k36 n MET 25 Ca 0.14 -1.97 -0.07 0.00 -1.81 0.00 0.00 57.70 53.99 1k36 n MET 25 Cb 0.20 -1.29 -0.07 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.06 -0.76 -3.36 7.83 3.41 -1.09 -4.60 113.62 116.11 1k36 n SER 26 Ca 0.09 -0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 58.25 1k36 n SER 26 Cb 0.65 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1k36 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k36 s GLN 27 N 2.96 1.95 0.38 4.33 -2.07 -1.23 -5.00 119.66 120.97 1k36 s GLN 27 Ca 0.42 -1.18 -0.24 0.00 -1.82 0.00 0.00 55.36 52.54 1k36 s GLN 27 Cb -0.27 0.59 -0.10 0.00 -1.09 0.00 0.00 33.01 32.14 1k36 s GLN 27 CO 0.18 -0.90 0.96 -0.80 -1.32 0.00 0.00 175.29 173.41 1k36 s ASN 28 N -3.03 7.09 -0.23 12.60 -0.87 -1.26 -2.65 114.94 126.60 1k36 s ASN 28 Ca 0.14 1.81 -0.01 0.00 -1.57 0.00 0.00 52.86 53.23 1k36 s ASN 28 Cb -0.05 -2.56 0.07 0.00 -0.02 0.00 0.00 41.25 38.68 1k36 s ASN 28 CO 0.09 -0.25 0.00 -0.47 -2.57 0.00 0.00 177.10 173.90 1k36 s TYR 29 N -1.85 1.79 -0.34 2.20 6.14 -0.53 -4.83 117.35 119.93 1k36 s TYR 29 Ca 0.56 -1.42 -0.04 0.00 0.64 0.00 0.00 57.07 56.80 1k36 s TYR 29 Cb -0.15 -1.41 0.06 0.00 0.42 0.00 0.00 41.96 40.88 1k36 s TYR 29 CO 0.20 -0.73 0.10 0.00 0.64 0.00 0.00 175.55 175.76 1k36 s ARG 31 N 1.31 4.31 0.89 0.00 6.06 -0.75 -4.88 118.95 125.89 1k36 s ARG 31 Ca -0.01 1.40 -0.14 0.00 -2.50 0.00 0.00 55.73 54.48 1k36 s ARG 31 Cb -0.20 -3.62 0.14 0.00 0.06 0.00 0.00 34.95 31.33 1k36 s ARG 31 CO 0.00 -0.54 1.24 0.00 -2.50 0.00 0.00 175.30 173.49 1k36 s GLU 33 N -5.69 3.98 -0.66 0.00 2.12 0.16 -4.80 118.70 113.80 1k36 s GLU 33 Ca 0.68 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.76 1k36 s GLU 33 Cb -0.08 -3.80 -0.13 0.00 0.26 0.00 0.00 34.13 30.38 1k36 s GLU 33 CO 0.51 -1.03 2.50 0.28 -0.54 0.00 0.00 175.26 176.98 1k36 n VAL 34 N 6.11 -0.03 0.00 3.70 0.31 -1.26 -2.33 118.33 124.83 1k36 n VAL 34 Ca 0.13 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1k36 n VAL 34 Cb 0.47 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 6.23 0.28 3.88 2.92 0.00 -1.26 -5.15 105.19 112.10 1k36 n GLY 35 Ca 0.48 0.00 -0.29 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 2.78 -0.38 1.61 2.02 -0.98 -4.51 117.35 117.89 1k36 s TYR 36 Ca 0.00 0.74 0.06 0.00 -0.37 0.00 0.00 57.07 57.49 1k36 s TYR 36 Cb 0.00 -3.52 0.48 0.00 -0.40 0.00 0.00 41.96 38.52 1k36 s TYR 36 CO 0.00 -1.94 1.50 -2.37 -1.57 0.00 0.00 175.55 171.17 1k36 n THR 37 N -3.43 2.80 -3.47 -0.71 5.66 -1.16 -4.84 114.28 109.12 1k36 n THR 37 Ca 0.08 -3.31 -0.15 0.00 -3.05 0.00 0.00 64.05 57.63 1k36 n THR 37 Cb 0.61 -0.80 -0.04 0.00 -1.55 0.00 0.00 70.33 68.55 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 -2.74 -0.59 -0.20 1.09 0.00 -1.26 -4.99 107.32 98.62 1k36 s GLY 38 Ca 0.52 0.94 -0.03 0.00 0.00 0.00 0.00 44.72 46.14 1k36 s GLY 38 CO 0.01 0.57 2.67 1.55 0.00 0.00 0.00 173.10 177.90 1k36 n VAL 39 N 0.28 2.82 -2.00 1.40 3.14 -1.26 -3.50 118.33 119.21 1k36 n VAL 39 Ca -0.18 -1.72 -0.00 0.00 -2.96 0.00 0.00 64.34 59.48 1k36 n VAL 39 Cb 0.61 -1.62 -0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 1.33 0.00 -1.33 1.45 0.63 -1.26 -5.05 116.66 112.43 1k36 n ARG 40 Ca 0.32 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1k36 n ARG 40 Cb 0.65 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 33.53 1k36 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k36 n GLU 42 N 1.05 0.00 -3.99 0.00 2.13 -1.26 -2.81 120.64 115.77 1k36 n GLU 42 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1k36 n GLU 42 Cb 0.11 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.67 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1k36 s HIS 43 N -0.98 2.52 0.10 4.31 -3.43 -1.26 -5.08 115.29 111.47 1k36 s HIS 43 Ca 0.00 -1.74 -0.30 0.00 -0.80 0.00 0.00 55.06 52.22 1k36 s HIS 43 Cb 0.00 -1.66 -0.06 0.00 -1.43 0.00 0.00 32.58 29.43 1k36 s HIS 43 CO 0.00 -0.77 0.97 0.12 -2.00 0.00 0.00 174.74 173.05 1k36 s PHE 44 N 1.36 3.79 -0.15 0.38 5.36 -1.26 -2.99 117.98 124.47 1k36 s PHE 44 Ca -0.04 1.79 0.19 0.00 -0.96 0.00 0.00 56.93 57.91 1k36 s PHE 44 Cb -0.18 -3.07 -0.12 0.00 -0.34 0.00 0.00 43.02 39.32 1k36 s PHE 44 CO -0.07 0.17 0.83 0.34 -1.46 0.00 0.00 175.22 175.03 1k36 n PHE 45 N 2.87 0.88 0.77 10.12 7.35 -1.26 -4.90 117.46 133.30 1k36 n PHE 45 Ca 0.03 0.28 0.09 0.00 -0.76 0.00 0.00 57.45 57.09 1k36 n PHE 45 Cb 0.49 -1.02 0.08 0.00 0.35 0.00 0.00 39.48 39.38 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28