#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 2.98 0.25 4.52 0.01 -1.26 -5.13 113.70 115.07 1k36 s SER 2 Ca 0.00 -1.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.05 1k36 s SER 2 Cb 0.00 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1k36 s SER 2 CO 0.00 -0.40 0.70 -0.51 0.41 0.00 0.00 173.24 173.44 1k36 s ILE 3 N 2.13 0.00 0.11 1.44 2.07 -1.26 -4.04 121.20 121.65 1k36 s ILE 3 Ca 0.07 -0.78 -0.06 0.00 -1.41 0.00 0.00 60.65 58.46 1k36 s ILE 3 Cb -0.16 -1.79 -0.02 0.00 0.13 0.00 0.00 42.46 40.63 1k36 s ILE 3 CO -0.26 0.00 0.16 -0.89 -1.91 0.00 0.00 174.94 172.04 1k36 s THR 4 N -3.87 0.13 0.24 4.00 2.01 -1.05 -4.90 115.64 112.20 1k36 s THR 4 Ca 0.09 -1.45 0.11 0.00 0.31 0.00 0.00 61.69 60.75 1k36 s THR 4 Cb -0.05 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1k36 s THR 4 CO 0.03 -0.57 -0.19 -0.54 -0.69 0.00 0.00 174.62 172.65 1k36 s LYS 5 N -3.93 1.70 0.00 4.92 1.02 -1.26 -0.17 119.74 122.02 1k36 s LYS 5 Ca 0.12 -1.63 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1k36 s LYS 5 Cb 0.05 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1k36 s LYS 5 CO -0.06 0.36 0.00 0.00 -0.92 0.00 0.00 175.35 174.74 1k36 n SER 7 N 0.00 0.00 -0.06 0.00 2.88 -1.26 -5.02 113.62 110.15 1k36 n SER 7 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1k36 n SER 7 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1k36 n SER 7 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k36 h SER 8 N 0.00 0.00 -0.12 -3.46 0.02 -2.01 -3.36 113.55 104.62 1k36 h SER 8 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1k36 h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1k36 h SER 8 CO 0.00 0.69 0.00 0.47 -1.14 0.00 0.00 176.83 176.85 1k36 n ASP 9 N -4.68 0.90 -0.54 3.07 9.92 -1.26 -3.34 116.55 120.63 1k36 n ASP 9 Ca -0.05 -2.03 0.11 0.00 -0.53 0.00 0.00 54.79 52.29 1k36 n ASP 9 Cb 0.17 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1k36 n MET 10 N -0.08 1.30 -3.31 -1.24 1.56 -1.26 -4.56 117.12 109.53 1k36 n MET 10 Ca 0.04 -1.08 -0.27 0.00 -0.27 0.00 0.00 57.70 56.13 1k36 n MET 10 Cb 0.17 -1.48 -0.07 0.00 2.15 0.00 0.00 33.22 33.99 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 0.09 3.77 -1.44 6.12 2.85 -1.21 -4.79 115.26 120.65 1k36 n ASN 11 Ca 0.10 -3.47 -0.04 0.00 -0.11 0.00 0.00 54.58 51.06 1k36 n ASN 11 Cb 0.48 -0.65 0.16 0.00 1.24 0.00 0.00 39.78 41.02 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 0.63 2.79 0.58 8.20 0.00 -1.26 -4.15 105.19 111.98 1k36 n GLY 12 Ca 0.30 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.00 0.00 -3.24 1.61 9.36 -1.26 -4.99 117.16 118.63 1k36 n TYR 13 Ca 0.23 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 61.06 1k36 n TYR 13 Cb 0.94 -0.49 -0.06 0.00 -0.63 0.00 0.00 39.34 39.10 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 2.08 2.12 -3.97 0.00 4.77 -1.22 -4.75 117.00 116.04 1k36 n LEU 15 Ca -0.09 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 55.92 1k36 n LEU 15 Cb 0.51 -0.99 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 1k36 n LEU 15 CO 0.42 0.49 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.78 1k36 s HIS 16 N -2.44 3.29 -3.22 -1.77 3.76 -1.25 -5.04 115.29 108.63 1k36 s HIS 16 Ca -0.28 -3.12 0.00 0.00 -0.15 0.00 0.00 55.06 51.51 1k36 s HIS 16 Cb 0.07 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1k36 s HIS 16 CO 0.63 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1k36 n GLY 17 N 3.32 -1.10 3.39 -2.22 0.00 -1.26 0.72 105.19 108.03 1k36 n GLY 17 Ca 0.05 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.29 1.45 -0.11 1.61 -0.21 -0.41 -4.98 119.66 115.72 1k36 s GLN 18 Ca 0.00 -1.72 -0.12 0.00 0.02 0.00 0.00 55.36 53.54 1k36 s GLN 18 Cb 0.00 -1.02 -0.05 0.00 1.00 0.00 0.00 33.01 32.95 1k36 s GLN 18 CO 0.00 0.03 0.29 0.00 -2.12 0.00 0.00 175.29 173.49 1k36 s ILE 20 N -0.32 0.45 -0.08 0.00 -1.09 -0.38 -3.58 121.20 116.20 1k36 s ILE 20 Ca 0.18 -2.00 -0.04 0.00 -2.23 0.00 0.00 60.65 56.57 1k36 s ILE 20 Cb -0.14 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1k36 s ILE 20 CO 0.07 0.00 0.18 -0.47 -1.23 0.00 0.00 174.94 173.49 1k36 s TYR 21 N -3.60 -0.23 -0.04 3.97 6.14 0.76 -0.92 117.35 123.44 1k36 s TYR 21 Ca 0.35 0.62 -0.20 0.00 0.64 0.00 0.00 57.07 58.48 1k36 s TYR 21 Cb 0.06 -0.07 -0.05 0.00 0.42 0.00 0.00 41.96 42.31 1k36 s TYR 21 CO 0.16 -0.21 0.56 -0.51 0.64 0.00 0.00 175.55 176.19 1k36 s LEU 22 N 1.45 4.38 -0.05 6.97 2.01 -1.08 -2.51 118.68 129.85 1k36 s LEU 22 Ca -0.07 1.06 0.12 0.00 0.01 0.00 0.00 54.13 55.25 1k36 s LEU 22 Cb -0.11 -2.85 -0.23 0.00 0.01 0.00 0.00 46.19 43.00 1k36 s LEU 22 CO -0.07 0.08 0.63 0.55 1.01 0.00 0.00 176.35 178.55 1k36 n VAL 23 N 2.97 1.62 0.35 -1.59 3.14 -1.26 -2.41 118.33 121.15 1k36 n VAL 23 Ca -0.07 -0.79 0.13 0.00 -2.96 0.00 0.00 64.34 60.65 1k36 n VAL 23 Cb 0.51 -1.06 0.32 0.00 -1.06 0.00 0.00 33.84 32.54 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 -2.02 6.55 3.04 -1.93 -3.32 116.42 118.74 1k36 h ASP 24 Ca -0.30 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 52.98 1k36 h ASP 24 Cb 2.02 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.91 1k36 h ASP 24 CO 0.08 0.00 -1.13 0.80 -2.04 0.00 0.00 179.24 176.95 1k36 n MET 25 N -2.81 1.11 -0.72 4.15 0.00 -1.25 -5.06 117.12 112.55 1k36 n MET 25 Ca 0.04 -3.48 -0.12 0.00 0.00 0.00 0.00 57.70 54.13 1k36 n MET 25 Cb 0.46 -1.66 -0.10 0.00 0.00 0.00 0.00 33.22 31.92 1k36 n MET 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1k36 n SER 26 N 0.49 -0.54 -3.55 6.12 2.88 -1.01 -4.56 113.62 113.45 1k36 n SER 26 Ca 0.25 -0.19 -0.17 0.00 -1.33 0.00 0.00 58.87 57.42 1k36 n SER 26 Cb 0.61 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 1k36 n SER 26 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1k36 s GLN 27 N 3.54 1.01 -0.43 -1.46 0.74 -1.23 -4.99 119.66 116.84 1k36 s GLN 27 Ca 0.63 0.43 -0.28 0.00 0.05 0.00 0.00 55.36 56.20 1k36 s GLN 27 Cb -0.45 0.48 -0.03 0.00 1.10 0.00 0.00 33.01 34.12 1k36 s GLN 27 CO 0.26 -0.27 1.89 -0.80 -0.55 0.00 0.00 175.29 175.82 1k36 s ASN 28 N -0.82 5.54 -0.93 6.67 -0.87 -1.26 -2.62 114.94 120.66 1k36 s ASN 28 Ca -0.08 1.00 -0.20 0.00 -1.57 0.00 0.00 52.86 52.01 1k36 s ASN 28 Cb -0.01 -2.52 0.11 0.00 -0.02 0.00 0.00 41.25 38.81 1k36 s ASN 28 CO 0.08 -2.04 1.18 -0.47 -2.57 0.00 0.00 177.10 173.28 1k36 s TYR 29 N 8.13 2.98 -0.35 2.20 6.14 -0.10 -4.94 117.35 131.41 1k36 s TYR 29 Ca 0.78 -1.23 -0.27 0.00 0.64 0.00 0.00 57.07 56.98 1k36 s TYR 29 Cb -0.19 -4.36 0.02 0.00 0.42 0.00 0.00 41.96 37.84 1k36 s TYR 29 CO 0.29 -1.58 1.00 0.00 0.64 0.00 0.00 175.55 175.89 1k36 s ARG 31 N 3.59 3.27 0.96 0.00 6.06 -0.78 -4.98 118.95 127.08 1k36 s ARG 31 Ca 0.42 -0.52 -0.16 0.00 -2.50 0.00 0.00 55.73 52.97 1k36 s ARG 31 Cb -0.12 -3.92 0.20 0.00 0.06 0.00 0.00 34.95 31.17 1k36 s ARG 31 CO 0.18 -0.84 1.32 0.00 -2.50 0.00 0.00 175.30 173.46 1k36 s GLU 33 N -5.89 4.46 0.00 0.00 2.12 0.22 -4.78 118.70 114.83 1k36 s GLU 33 Ca 0.74 1.25 0.00 0.00 0.36 0.00 0.00 54.97 57.32 1k36 s GLU 33 Cb -0.04 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1k36 s GLU 33 CO 0.53 0.18 0.80 0.28 -0.54 0.00 0.00 175.26 176.51 1k36 n VAL 34 N 0.16 0.78 -0.16 3.70 0.31 -1.26 -2.71 118.33 119.15 1k36 n VAL 34 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1k36 n VAL 34 Cb 0.51 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.57 0.17 3.93 2.92 0.00 -1.26 -5.05 105.19 106.48 1k36 n GLY 35 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.34 3.49 -0.56 1.61 1.51 -1.10 -3.76 117.35 118.20 1k36 s TYR 36 Ca 0.00 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 1k36 s TYR 36 Cb 0.00 -1.88 0.43 0.00 -0.11 0.00 0.00 41.96 40.40 1k36 s TYR 36 CO 0.00 0.24 1.65 -2.37 -1.11 0.00 0.00 175.55 173.96 1k36 n THR 37 N -1.27 3.12 -3.49 -0.71 5.66 -1.18 -4.83 114.28 111.57 1k36 n THR 37 Ca -0.05 -3.88 -0.11 0.00 -3.05 0.00 0.00 64.05 56.97 1k36 n THR 37 Cb 0.55 -1.19 -0.02 0.00 -1.55 0.00 0.00 70.33 68.13 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 -2.46 -0.53 -0.22 1.09 0.00 -1.26 -5.02 107.32 98.93 1k36 s GLY 38 Ca 0.56 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1k36 s GLY 38 CO -0.10 0.14 1.72 1.55 0.00 0.00 0.00 173.10 176.41 1k36 n VAL 39 N -0.38 2.28 -1.15 1.40 3.14 -1.26 -3.54 118.33 118.82 1k36 n VAL 39 Ca -0.14 -1.11 0.00 0.00 -2.96 0.00 0.00 64.34 60.12 1k36 n VAL 39 Cb 0.64 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.30 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 0.28 0.00 -2.85 1.45 0.63 -1.26 -4.95 116.66 109.96 1k36 n ARG 40 Ca 0.23 -0.34 -0.27 0.00 -0.92 0.00 0.00 57.85 56.55 1k36 n ARG 40 Cb 0.73 -0.42 0.02 0.00 0.45 0.00 0.00 32.46 33.24 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 -0.35 0.00 -4.06 0.00 2.13 -1.26 -3.38 120.64 113.72 1k36 n GLU 42 Ca -0.08 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.41 1k36 n GLU 42 Cb 0.48 -0.44 -0.15 0.00 0.27 0.00 0.00 31.44 31.60 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 -1.00 3.06 -0.78 4.31 -3.43 -1.26 -5.05 115.29 111.13 1k36 s HIS 43 Ca 0.00 -1.91 -0.26 0.00 -0.80 0.00 0.00 55.06 52.09 1k36 s HIS 43 Cb 0.00 -1.96 0.03 0.00 -1.43 0.00 0.00 32.58 29.22 1k36 s HIS 43 CO 0.00 -0.82 1.39 0.12 -2.00 0.00 0.00 174.74 173.43 1k36 s PHE 44 N 1.22 2.25 -1.09 0.38 5.36 -1.26 -3.10 117.98 121.74 1k36 s PHE 44 Ca -0.02 -0.08 0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1k36 s PHE 44 Cb -0.17 -4.57 0.30 0.00 -0.34 0.00 0.00 43.02 38.24 1k36 s PHE 44 CO -0.07 -2.07 1.19 1.97 -1.46 0.00 0.00 175.22 174.77 1k36 n PHE 45 N 9.77 0.00 1.08 10.12 1.16 -1.25 -4.95 117.46 133.39 1k36 n PHE 45 Ca 0.11 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.81 1k36 n PHE 45 Cb 0.50 -0.46 0.17 0.00 -1.61 0.00 0.00 39.48 38.08 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17