#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 4.27 -4.66 4.52 7.64 -1.26 -5.06 113.62 119.08 1k36 n SER 2 Ca 0.00 -3.63 -0.30 0.00 1.01 0.00 0.00 58.87 55.95 1k36 n SER 2 Cb 0.00 -0.58 -0.08 0.00 -1.01 0.00 0.00 64.21 62.53 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1k36 s ILE 3 N -4.07 3.85 0.54 0.44 2.07 -1.26 -3.43 121.20 119.34 1k36 s ILE 3 Ca 0.47 -1.06 0.03 0.00 -1.41 0.00 0.00 60.65 58.68 1k36 s ILE 3 Cb 0.26 -2.83 0.02 0.00 0.13 0.00 0.00 42.46 40.04 1k36 s ILE 3 CO -0.12 0.12 0.18 -0.89 -1.91 0.00 0.00 174.94 172.32 1k36 s THR 4 N -1.29 1.28 0.50 4.00 2.01 -0.93 -4.86 115.64 116.36 1k36 s THR 4 Ca 0.25 -1.78 0.05 0.00 0.31 0.00 0.00 61.69 60.52 1k36 s THR 4 Cb -0.12 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1k36 s THR 4 CO 0.17 0.00 0.69 -0.54 -0.69 0.00 0.00 174.62 174.25 1k36 s LYS 5 N -4.08 2.62 0.00 4.92 -0.14 -1.26 -1.77 119.74 120.03 1k36 s LYS 5 Ca 0.15 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1k36 s LYS 5 Cb -0.01 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 1k36 s LYS 5 CO 0.10 -0.56 0.00 0.00 -0.76 0.00 0.00 175.35 174.13 1k36 n SER 7 N -1.72 0.00 0.00 0.00 2.88 -1.26 -4.97 113.62 108.55 1k36 n SER 7 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1k36 n SER 7 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 1k36 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k36 n SER 8 N 0.00 0.00 -1.15 -3.46 2.88 -1.26 -3.08 113.62 107.56 1k36 n SER 8 Ca 0.00 -1.54 0.11 0.00 -1.33 0.00 0.00 58.87 56.11 1k36 n SER 8 Cb 0.00 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k36 n ASP 9 N -0.72 3.35 0.09 -3.46 9.92 -1.26 -4.14 116.55 120.33 1k36 n ASP 9 Ca 0.10 -1.98 0.13 0.00 -0.53 0.00 0.00 54.79 52.51 1k36 n ASP 9 Cb 0.05 -0.38 0.44 0.00 -0.64 0.00 0.00 41.12 40.59 1k36 n ASP 9 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1k36 n MET 10 N 1.35 0.22 -3.58 -1.24 0.00 -1.18 -4.43 117.12 108.27 1k36 n MET 10 Ca 0.21 0.19 -0.40 0.00 0.00 0.00 0.00 57.70 57.70 1k36 n MET 10 Cb 0.54 -1.76 -0.07 0.00 0.00 0.00 0.00 33.22 31.93 1k36 n MET 10 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1k36 s ASN 11 N -4.30 5.79 0.00 3.17 -0.87 -1.26 -4.57 114.94 112.91 1k36 s ASN 11 Ca 0.11 -2.81 0.00 0.00 -1.57 0.00 0.00 52.86 48.59 1k36 s ASN 11 Cb 0.13 -1.98 0.00 0.00 -0.02 0.00 0.00 41.25 39.38 1k36 s ASN 11 CO 0.58 -0.44 0.00 0.61 -2.57 0.00 0.00 177.10 175.28 1k36 n GLY 12 N 3.64 0.08 0.45 0.66 0.00 -1.26 -5.03 105.19 103.73 1k36 n GLY 12 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.60 0.00 -2.98 1.61 9.36 -1.26 -4.94 117.16 118.34 1k36 n TYR 13 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1k36 n TYR 13 Cb 0.00 -0.22 -0.05 0.00 -0.63 0.00 0.00 39.34 38.44 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 h LEU 15 N 9.31 0.63 -7.30 0.00 3.38 -1.42 -3.41 115.31 116.50 1k36 h LEU 15 Ca -0.25 -0.89 -0.64 0.00 0.09 0.00 0.00 57.88 56.19 1k36 h LEU 15 Cb 1.10 -0.20 -0.41 0.00 0.09 0.00 0.00 40.66 41.24 1k36 h LEU 15 CO 0.86 1.47 -0.58 -1.00 0.09 0.00 0.00 178.44 179.27 1k36 s HIS 16 N -2.70 3.33 -0.09 1.13 3.76 -1.21 -5.03 115.29 114.49 1k36 s HIS 16 Ca -0.12 -3.20 -0.32 0.00 -0.15 0.00 0.00 55.06 51.27 1k36 s HIS 16 Cb 0.03 -2.82 0.14 0.00 1.11 0.00 0.00 32.58 31.04 1k36 s HIS 16 CO 0.87 -0.69 1.42 0.20 -0.85 0.00 0.00 174.74 175.70 1k36 s GLY 17 N -0.60 -0.47 0.35 -2.22 0.00 -1.26 -1.47 107.32 101.66 1k36 s GLY 17 Ca 0.20 0.86 0.03 0.00 0.00 0.00 0.00 44.72 45.80 1k36 s GLY 17 CO -0.06 0.92 0.52 1.20 0.00 0.00 0.00 173.10 175.69 1k36 s GLN 18 N -2.05 3.26 -0.13 2.90 -1.52 0.22 -4.86 119.66 117.48 1k36 s GLN 18 Ca 0.17 -0.66 -0.02 0.00 -1.95 0.00 0.00 55.36 52.90 1k36 s GLN 18 Cb 0.07 -2.73 -0.03 0.00 -0.22 0.00 0.00 33.01 30.10 1k36 s GLN 18 CO -0.06 0.07 -0.05 0.00 -0.25 0.00 0.00 175.29 175.00 1k36 s ILE 20 N 0.10 0.03 -0.18 0.00 -0.00 -0.41 -4.13 121.20 116.60 1k36 s ILE 20 Ca -0.01 -1.53 0.01 0.00 -0.00 0.00 0.00 60.65 59.11 1k36 s ILE 20 Cb -0.14 -2.11 0.02 0.00 -0.00 0.00 0.00 42.46 40.23 1k36 s ILE 20 CO 0.03 -0.13 -0.20 -0.47 -0.00 0.00 0.00 174.94 174.17 1k36 s TYR 21 N -4.03 2.76 0.09 1.37 6.14 -0.73 -1.24 117.35 121.72 1k36 s TYR 21 Ca 0.24 -1.62 -0.26 0.00 0.64 0.00 0.00 57.07 56.07 1k36 s TYR 21 Cb 0.03 -1.91 -0.06 0.00 0.42 0.00 0.00 41.96 40.44 1k36 s TYR 21 CO 0.06 -0.79 0.80 -0.51 0.64 0.00 0.00 175.55 175.75 1k36 s LEU 22 N 1.25 4.50 -0.01 6.97 1.43 -1.09 -2.18 118.68 129.56 1k36 s LEU 22 Ca 0.04 1.57 0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1k36 s LEU 22 Cb -0.13 -3.31 -0.21 0.00 0.03 0.00 0.00 46.19 42.56 1k36 s LEU 22 CO -0.12 0.06 0.77 1.62 0.23 0.00 0.00 176.35 178.91 1k36 h VAL 23 N 3.88 0.93 0.00 -1.59 3.04 -1.92 -2.57 116.25 118.02 1k36 h VAL 23 Ca -0.45 -2.72 -0.04 0.00 -1.01 0.00 0.00 66.70 62.49 1k36 h VAL 23 Cb 1.21 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.92 1k36 h VAL 23 CO 0.70 0.53 -0.17 -0.78 -1.01 0.00 0.00 177.57 176.83 1k36 h ASP 24 N 0.00 0.00 -2.08 3.17 3.58 -1.93 -3.32 116.42 115.84 1k36 h ASP 24 Ca -0.23 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.70 1k36 h ASP 24 Cb 1.93 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 42.57 1k36 h ASP 24 CO 0.08 0.17 -1.03 0.80 -2.88 0.00 0.00 179.24 176.38 1k36 n MET 25 N -3.16 1.57 -0.57 0.28 1.56 -1.25 -5.04 117.12 110.51 1k36 n MET 25 Ca 0.03 -3.78 -0.05 0.00 -0.27 0.00 0.00 57.70 53.62 1k36 n MET 25 Cb 0.57 -1.82 -0.06 0.00 2.15 0.00 0.00 33.22 34.06 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1k36 n SER 26 N 0.26 -0.76 -3.63 6.12 3.41 -0.97 -4.54 113.62 113.51 1k36 n SER 26 Ca 0.26 -0.42 -0.09 0.00 -0.26 0.00 0.00 58.87 58.37 1k36 n SER 26 Cb 0.57 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 2.72 1.42 -0.96 4.33 -2.07 -1.23 -4.99 119.66 118.87 1k36 s GLN 27 Ca 0.32 -0.67 -0.24 0.00 -1.82 0.00 0.00 55.36 52.96 1k36 s GLN 27 Cb -0.21 0.56 0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1k36 s GLN 27 CO 0.14 -0.64 1.44 -0.80 -1.32 0.00 0.00 175.29 174.11 1k36 s ASN 28 N -2.81 6.37 0.14 12.60 0.01 -1.26 -2.65 114.94 127.34 1k36 s ASN 28 Ca 0.06 -1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 50.70 1k36 s ASN 28 Cb -0.03 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.00 1k36 s ASN 28 CO -0.04 -1.63 0.96 -0.47 -1.51 0.00 0.00 177.10 174.42 1k36 s TYR 29 N 5.36 3.83 -0.19 2.20 6.14 -0.38 -4.91 117.35 129.41 1k36 s TYR 29 Ca 0.45 1.81 0.01 0.00 0.64 0.00 0.00 57.07 59.98 1k36 s TYR 29 Cb -0.02 -3.05 0.03 0.00 0.42 0.00 0.00 41.96 39.34 1k36 s TYR 29 CO -0.05 0.21 -0.15 0.00 0.64 0.00 0.00 175.55 176.21 1k36 s ARG 31 N 1.34 4.74 0.73 0.00 6.06 -0.76 -4.84 118.95 126.21 1k36 s ARG 31 Ca 0.01 1.43 -0.11 0.00 -2.50 0.00 0.00 55.73 54.56 1k36 s ARG 31 Cb -0.15 -3.34 0.03 0.00 0.06 0.00 0.00 34.95 31.56 1k36 s ARG 31 CO -0.10 0.34 1.11 0.00 -2.50 0.00 0.00 175.30 174.15 1k36 s GLU 33 N -5.41 3.68 -0.87 0.00 2.12 -0.54 -4.74 118.70 112.93 1k36 s GLU 33 Ca 0.59 0.68 -0.15 0.00 0.36 0.00 0.00 54.97 56.46 1k36 s GLU 33 Cb -0.11 -3.95 -0.26 0.00 0.26 0.00 0.00 34.13 30.07 1k36 s GLU 33 CO 0.51 -1.44 2.05 0.28 -0.54 0.00 0.00 175.26 176.11 1k36 n VAL 34 N 6.92 0.00 0.00 3.70 0.31 -1.26 -1.23 118.33 126.77 1k36 n VAL 34 Ca 0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1k36 n VAL 34 Cb 0.49 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 5.12 0.38 3.92 2.92 0.00 -1.26 -5.15 105.19 111.12 1k36 n GLY 35 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 2.28 -0.35 1.61 1.51 -0.36 -4.14 117.35 117.89 1k36 s TYR 36 Ca 0.00 0.51 0.10 0.00 -1.01 0.00 0.00 57.07 56.67 1k36 s TYR 36 Cb 0.00 -3.77 0.45 0.00 -0.11 0.00 0.00 41.96 38.53 1k36 s TYR 36 CO 0.00 -2.17 1.11 -2.37 -1.11 0.00 0.00 175.55 171.01 1k36 n THR 37 N -3.50 2.08 -3.49 -0.71 5.66 -1.16 -4.75 114.28 108.41 1k36 n THR 37 Ca 0.12 -4.18 -0.16 0.00 -3.05 0.00 0.00 64.05 56.77 1k36 n THR 37 Cb 0.60 -0.62 -0.05 0.00 -1.55 0.00 0.00 70.33 68.71 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 -3.53 -0.59 -0.10 1.09 0.00 -1.26 -4.97 107.32 97.96 1k36 s GLY 38 Ca 0.43 1.04 0.06 0.00 0.00 0.00 0.00 44.72 46.25 1k36 s GLY 38 CO -0.06 0.69 1.02 1.55 0.00 0.00 0.00 173.10 176.29 1k36 n VAL 39 N 0.47 1.15 0.00 1.40 3.14 -1.26 -3.60 118.33 119.63 1k36 n VAL 39 Ca -0.18 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 1k36 n VAL 39 Cb 0.60 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 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 0.26 2.73 -2.16 1.45 0.00 -1.26 -4.99 116.66 112.68 1k36 n ARG 40 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.94 1k36 n ARG 40 Cb 0.65 -0.71 0.00 0.00 0.00 0.00 0.00 32.46 32.40 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 -0.11 0.00 -4.36 0.00 0.00 -1.26 -1.48 120.64 113.43 1k36 n GLU 42 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.90 1k36 n GLU 42 Cb 0.15 -0.08 -0.17 0.00 0.00 0.00 0.00 31.44 31.34 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 -1.00 2.18 -0.57 4.31 -3.43 -1.26 -4.99 115.29 110.53 1k36 s HIS 43 Ca 0.00 -1.11 -0.26 0.00 -0.80 0.00 0.00 55.06 52.89 1k36 s HIS 43 Cb 0.00 -1.56 0.04 0.00 -1.43 0.00 0.00 32.58 29.62 1k36 s HIS 43 CO 0.00 -0.57 1.08 0.12 -2.00 0.00 0.00 174.74 173.37 1k36 s PHE 44 N 1.10 2.68 -0.14 0.38 5.36 -1.26 -3.01 117.98 123.09 1k36 s PHE 44 Ca -0.03 0.21 0.27 0.00 -0.96 0.00 0.00 56.93 56.42 1k36 s PHE 44 Cb -0.14 -4.32 1.30 0.00 -0.34 0.00 0.00 43.02 39.52 1k36 s PHE 44 CO -0.05 -1.49 1.82 0.35 -1.46 0.00 0.00 175.22 174.39 1k36 h PHE 45 N 9.45 0.00 -0.03 10.12 3.57 -1.86 -3.47 116.94 134.72 1k36 h PHE 45 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1k36 h PHE 45 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1k36 h PHE 45 CO 0.98 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.34