#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 1.50 0.54 -1.34 0.01 -1.26 -5.12 113.70 108.03 1k36 s SER 2 Ca 0.00 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.14 1k36 s SER 2 Cb 0.00 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1k36 s SER 2 CO 0.00 -0.31 0.47 -0.51 0.41 0.00 0.00 173.24 173.30 1k36 s ILE 3 N 2.25 1.83 0.25 1.44 2.07 -1.26 -2.64 121.20 125.14 1k36 s ILE 3 Ca 0.04 -1.40 -0.15 0.00 -1.41 0.00 0.00 60.65 57.74 1k36 s ILE 3 Cb -0.15 -2.23 0.00 0.00 0.13 0.00 0.00 42.46 40.21 1k36 s ILE 3 CO -0.09 0.00 0.52 -0.89 -1.91 0.00 0.00 174.94 172.57 1k36 s THR 4 N -2.73 0.00 0.38 4.00 2.01 -0.69 -4.86 115.64 113.74 1k36 s THR 4 Ca 0.40 -1.30 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1k36 s THR 4 Cb -0.03 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1k36 s THR 4 CO 0.25 -0.01 0.44 -0.75 -0.69 0.00 0.00 174.62 173.86 1k36 s LYS 5 N -3.99 2.83 0.00 4.92 2.20 -1.26 0.12 119.74 124.56 1k36 s LYS 5 Ca 0.20 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 1k36 s LYS 5 Cb -0.02 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1k36 s LYS 5 CO 0.08 -0.08 0.00 0.00 -0.36 0.00 0.00 175.35 174.99 1k36 n SER 7 N 0.00 0.02 -0.17 0.00 7.64 -1.26 -5.01 113.62 114.84 1k36 n SER 7 Ca 0.00 -0.96 0.02 0.00 1.01 0.00 0.00 58.87 58.93 1k36 n SER 7 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1k36 n SER 7 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1k36 n SER 8 N -2.88 0.49 -0.16 6.43 3.41 -1.26 -3.31 113.62 116.34 1k36 n SER 8 Ca 0.00 -1.98 0.08 0.00 -0.26 0.00 0.00 58.87 56.71 1k36 n SER 8 Cb 0.00 -0.06 0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k36 n ASP 9 N -0.24 1.95 -0.70 4.04 8.00 -1.26 -4.68 116.55 123.66 1k36 n ASP 9 Ca 0.03 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1k36 n ASP 9 Cb 0.08 -0.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.19 0.00 -3.92 -1.24 1.56 -1.21 -5.02 117.12 106.09 1k36 n MET 10 Ca 0.13 -0.93 -0.32 0.00 -0.27 0.00 0.00 57.70 56.32 1k36 n MET 10 Cb 0.65 -0.23 -0.14 0.00 2.15 0.00 0.00 33.22 35.66 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 -0.93 4.71 0.00 6.12 3.84 -1.26 -4.83 114.94 122.59 1k36 s ASN 11 Ca 0.05 -2.56 0.05 0.00 0.21 0.00 0.00 52.86 50.62 1k36 s ASN 11 Cb 0.06 -1.69 0.09 0.00 -0.55 0.00 0.00 41.25 39.17 1k36 s ASN 11 CO -0.03 -0.34 0.98 0.61 -2.79 0.00 0.00 177.10 175.54 1k36 n GLY 12 N 3.76 0.66 1.18 1.21 0.00 -1.26 -4.99 105.19 105.75 1k36 n GLY 12 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.11 -0.33 -3.15 1.61 9.36 -1.26 -5.01 117.16 118.48 1k36 n TYR 13 Ca -0.17 0.06 -0.41 0.00 3.32 0.00 0.00 57.90 60.70 1k36 n TYR 13 Cb 0.77 0.09 -0.07 0.00 -0.63 0.00 0.00 39.34 39.50 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 8.94 0.58 -7.15 0.00 3.38 -1.68 -3.40 115.31 115.98 1k36 h LEU 15 Ca -0.27 -0.93 -0.64 0.00 0.09 0.00 0.00 57.88 56.13 1k36 h LEU 15 Cb 1.13 -0.19 -0.41 0.00 0.09 0.00 0.00 40.66 41.28 1k36 h LEU 15 CO 0.76 1.53 -0.49 -1.00 0.09 0.00 0.00 178.44 179.33 1k36 s HIS 16 N -2.49 3.61 0.02 1.13 3.76 -1.23 -5.04 115.29 115.04 1k36 s HIS 16 Ca -0.13 -3.28 -0.29 0.00 -0.15 0.00 0.00 55.06 51.22 1k36 s HIS 16 Cb 0.02 -2.81 0.10 0.00 1.11 0.00 0.00 32.58 31.00 1k36 s HIS 16 CO 0.86 -0.59 1.06 0.20 -0.85 0.00 0.00 174.74 175.42 1k36 s GLY 17 N -1.15 -0.34 0.39 -2.22 0.00 -1.26 -1.56 107.32 101.18 1k36 s GLY 17 Ca 0.25 0.72 -0.21 0.00 0.00 0.00 0.00 44.72 45.47 1k36 s GLY 17 CO -0.15 0.20 0.92 1.20 0.00 0.00 0.00 173.10 175.26 1k36 s GLN 18 N -2.90 4.26 -0.27 2.90 -0.21 0.38 -4.83 119.66 119.00 1k36 s GLN 18 Ca 0.10 1.09 -0.09 0.00 0.02 0.00 0.00 55.36 56.48 1k36 s GLN 18 Cb 0.00 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1k36 s GLN 18 CO -0.03 0.06 0.13 0.00 -2.12 0.00 0.00 175.29 173.32 1k36 n ILE 20 N 4.99 0.00 -3.72 0.00 -0.00 -0.55 -4.37 119.36 115.71 1k36 n ILE 20 Ca -0.15 -1.32 -0.15 0.00 -0.00 0.00 0.00 62.75 61.13 1k36 n ILE 20 Cb 0.51 0.69 -0.15 0.00 -0.00 0.00 0.00 39.64 40.70 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 -3.06 -0.17 0.06 4.28 6.14 0.33 -1.98 117.35 122.95 1k36 s TYR 21 Ca 0.22 0.53 -0.30 0.00 0.64 0.00 0.00 57.07 58.16 1k36 s TYR 21 Cb 0.01 -0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.20 1k36 s TYR 21 CO 0.15 -0.20 0.99 -0.51 0.64 0.00 0.00 175.55 176.62 1k36 s LEU 22 N 1.55 4.43 -0.03 6.97 1.02 -1.06 -1.71 118.68 129.84 1k36 s LEU 22 Ca -0.05 1.75 0.13 0.00 0.02 0.00 0.00 54.13 55.99 1k36 s LEU 22 Cb -0.12 -3.58 -0.22 0.00 0.02 0.00 0.00 46.19 42.30 1k36 s LEU 22 CO -0.06 -0.19 0.68 0.55 0.02 0.00 0.00 176.35 177.35 1k36 n VAL 23 N 3.39 1.54 0.53 -1.59 3.14 -1.08 -2.37 118.33 121.88 1k36 n VAL 23 Ca 0.05 -0.78 0.13 0.00 -2.96 0.00 0.00 64.34 60.77 1k36 n VAL 23 Cb 0.50 -0.99 0.39 0.00 -1.06 0.00 0.00 33.84 32.68 1k36 n VAL 23 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1k36 h ASP 24 N 0.00 0.00 -1.74 6.55 3.04 -1.92 -3.33 116.42 119.02 1k36 h ASP 24 Ca -0.27 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.04 1k36 h ASP 24 Cb 1.95 0.00 -0.36 0.00 -1.04 0.00 0.00 39.33 39.88 1k36 h ASP 24 CO 0.07 0.00 -1.07 0.23 -2.04 0.00 0.00 179.24 176.43 1k36 n MET 25 N -2.41 0.86 -0.68 4.15 2.81 -1.25 -5.06 117.12 115.55 1k36 n MET 25 Ca 0.05 -3.12 -0.10 0.00 -1.81 0.00 0.00 57.70 52.72 1k36 n MET 25 Cb 0.41 -1.45 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.80 -0.68 -3.56 7.83 3.41 -1.00 -4.56 113.62 115.86 1k36 n SER 26 Ca 0.21 -0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 1k36 n SER 26 Cb 0.61 -0.24 -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 3.17 0.99 -0.26 4.33 0.74 -1.22 -4.99 119.66 122.40 1k36 s GLN 27 Ca 0.58 0.50 -0.28 0.00 0.05 0.00 0.00 55.36 56.21 1k36 s GLN 27 Cb -0.37 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1k36 s GLN 27 CO 0.25 -0.25 2.03 0.54 -0.55 0.00 0.00 175.29 177.31 1k36 s ASN 28 N -0.67 5.65 -0.15 6.67 2.20 -1.26 -2.57 114.94 124.81 1k36 s ASN 28 Ca -0.07 1.64 -0.09 0.00 -0.94 0.00 0.00 52.86 53.39 1k36 s ASN 28 Cb -0.02 -2.52 -0.05 0.00 -2.00 0.00 0.00 41.25 36.67 1k36 s ASN 28 CO 0.07 -1.84 0.16 -0.47 -2.94 0.00 0.00 177.10 172.08 1k36 s TYR 29 N 7.65 3.51 -0.17 1.54 6.14 -0.84 -4.95 117.35 130.24 1k36 s TYR 29 Ca 0.91 0.46 -0.01 0.00 0.64 0.00 0.00 57.07 59.08 1k36 s TYR 29 Cb -0.28 -2.09 0.04 0.00 0.42 0.00 0.00 41.96 40.05 1k36 s TYR 29 CO 0.34 0.49 -0.03 0.00 0.64 0.00 0.00 175.55 176.99 1k36 s ARG 31 N 1.68 4.58 0.61 0.00 6.06 -0.82 -4.86 118.95 126.21 1k36 s ARG 31 Ca 0.00 1.44 -0.11 0.00 -2.50 0.00 0.00 55.73 54.56 1k36 s ARG 31 Cb -0.16 -3.44 -0.04 0.00 0.06 0.00 0.00 34.95 31.38 1k36 s ARG 31 CO -0.07 -0.00 1.03 0.00 -2.50 0.00 0.00 175.30 173.75 1k36 s GLU 33 N -5.08 3.55 -0.94 0.00 2.12 -0.60 -4.78 118.70 112.96 1k36 s GLU 33 Ca 0.55 0.41 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 1k36 s GLU 33 Cb -0.11 -4.00 -0.23 0.00 0.26 0.00 0.00 34.13 30.05 1k36 s GLU 33 CO 0.52 -1.63 2.53 0.28 -0.54 0.00 0.00 175.26 176.42 1k36 n VAL 34 N 6.78 -0.01 0.00 3.70 0.31 -1.26 -1.87 118.33 125.98 1k36 n VAL 34 Ca 0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1k36 n VAL 34 Cb 0.49 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 0.29 3.89 2.92 0.00 -1.26 -5.15 105.19 112.11 1k36 n GLY 35 Ca 0.63 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 2.97 -0.31 1.61 2.02 -0.78 -4.39 117.35 118.47 1k36 s TYR 36 Ca 0.00 0.80 0.08 0.00 -0.37 0.00 0.00 57.07 57.58 1k36 s TYR 36 Cb 0.00 -3.43 0.49 0.00 -0.40 0.00 0.00 41.96 38.62 1k36 s TYR 36 CO 0.00 -1.73 1.45 -2.37 -1.57 0.00 0.00 175.55 171.33 1k36 n THR 37 N -3.30 2.60 -3.68 -0.71 5.66 -1.17 -4.83 114.28 108.85 1k36 n THR 37 Ca 0.08 -3.00 -0.11 0.00 -3.05 0.00 0.00 64.05 57.97 1k36 n THR 37 Cb 0.60 -0.47 -0.06 0.00 -1.55 0.00 0.00 70.33 68.86 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 -2.68 -0.23 -0.10 1.09 0.00 -1.26 -5.00 107.32 99.14 1k36 s GLY 38 Ca 0.46 0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.29 1k36 s GLY 38 CO -0.00 -0.19 1.02 1.55 0.00 0.00 0.00 173.10 175.47 1k36 n VAL 39 N 0.18 1.14 0.00 1.40 3.14 -1.26 -3.63 118.33 119.31 1k36 n VAL 39 Ca -0.17 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1k36 n VAL 39 Cb 0.61 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 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 0.22 1.29 -1.97 1.45 0.00 -1.26 -5.01 116.66 111.38 1k36 n ARG 40 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.95 1k36 n ARG 40 Cb 0.65 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 32.21 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 -0.26 0.00 -4.22 0.00 0.00 -1.26 -2.68 120.64 112.22 1k36 n GLU 42 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.88 1k36 n GLU 42 Cb 0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 31.44 31.29 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 2.46 -0.50 4.31 -3.43 -1.26 -5.04 115.29 110.82 1k36 s HIS 43 Ca 0.00 -1.37 -0.26 0.00 -0.80 0.00 0.00 55.06 52.63 1k36 s HIS 43 Cb 0.00 -1.73 0.03 0.00 -1.43 0.00 0.00 32.58 29.45 1k36 s HIS 43 CO 0.00 -0.69 1.01 0.12 -2.00 0.00 0.00 174.74 173.18 1k36 s PHE 44 N 1.24 2.83 -0.23 0.38 5.36 -1.26 -3.03 117.98 123.27 1k36 s PHE 44 Ca 0.02 0.37 0.28 0.00 -0.96 0.00 0.00 56.93 56.64 1k36 s PHE 44 Cb -0.14 -4.16 1.16 0.00 -0.34 0.00 0.00 43.02 39.55 1k36 s PHE 44 CO -0.09 -1.25 1.83 0.35 -1.46 0.00 0.00 175.22 174.60 1k36 h PHE 45 N 9.22 0.00 -0.02 10.12 3.57 -1.88 -3.48 116.94 134.47 1k36 h PHE 45 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1k36 h PHE 45 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1k36 h PHE 45 CO 0.92 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.28