#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 -0.57 0.16 4.52 0.15 -1.26 -5.14 113.70 111.56 1k36 s SER 2 Ca 0.00 1.09 0.11 0.00 0.70 0.00 0.00 55.95 57.84 1k36 s SER 2 Cb 0.00 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.35 1k36 s SER 2 CO 0.00 -0.19 -0.24 -0.51 1.20 0.00 0.00 173.24 173.50 1k36 s ILE 3 N 0.42 2.19 0.41 6.45 2.07 -1.26 -3.71 121.20 127.77 1k36 s ILE 3 Ca -0.01 -1.89 0.08 0.00 -1.41 0.00 0.00 60.65 57.41 1k36 s ILE 3 Cb -0.04 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.52 1k36 s ILE 3 CO -0.01 -0.08 0.28 -0.89 -1.91 0.00 0.00 174.94 172.33 1k36 s THR 4 N -1.50 2.54 0.27 4.00 2.01 -0.97 -4.85 115.64 117.14 1k36 s THR 4 Ca 0.17 -1.51 0.11 0.00 0.31 0.00 0.00 61.69 60.77 1k36 s THR 4 Cb -0.08 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1k36 s THR 4 CO 0.08 -0.01 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.31 1k36 s LYS 5 N -4.02 1.86 0.00 4.92 1.02 -1.26 -0.99 119.74 121.26 1k36 s LYS 5 Ca 0.45 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1k36 s LYS 5 Cb -0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1k36 s LYS 5 CO 0.25 0.34 0.00 0.00 -0.92 0.00 0.00 175.35 175.03 1k36 n SER 7 N 0.00 0.00 -4.92 0.00 2.88 -1.26 -5.07 113.62 105.24 1k36 n SER 7 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1k36 n SER 7 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 1.65 5.53 -0.31 -3.46 1.04 -1.26 -3.96 113.70 112.93 1k36 s SER 8 Ca 0.00 0.63 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 1k36 s SER 8 Cb 0.00 -1.61 0.02 0.00 0.10 0.00 0.00 66.02 64.53 1k36 s SER 8 CO 0.00 -1.08 0.07 0.47 0.98 0.00 0.00 173.24 173.67 1k36 n ASP 9 N -2.56 -1.45 -0.00 7.02 9.92 -1.26 -4.66 116.55 123.56 1k36 n ASP 9 Ca 0.05 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1k36 n ASP 9 Cb 0.58 -1.35 -0.00 0.00 -0.64 0.00 0.00 41.12 39.71 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 -2.70 3.90 -3.40 -1.24 1.56 -1.25 -4.97 117.12 109.01 1k36 n MET 10 Ca -0.01 -0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.29 1k36 n MET 10 Cb 0.51 -0.73 -0.10 0.00 2.15 0.00 0.00 33.22 35.05 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 -1.46 0.88 -0.81 6.12 4.22 -1.26 -4.95 114.94 117.67 1k36 s ASN 11 Ca 0.00 -0.14 -0.00 0.00 -2.14 0.00 0.00 52.86 50.57 1k36 s ASN 11 Cb 0.00 0.77 0.35 0.00 1.28 0.00 0.00 41.25 43.66 1k36 s ASN 11 CO 0.01 -0.33 1.77 0.61 -2.04 0.00 0.00 177.10 177.12 1k36 n GLY 12 N 5.34 5.74 1.35 0.45 0.00 -1.26 -4.57 105.19 112.24 1k36 n GLY 12 Ca -0.04 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.41 -0.47 -3.40 1.61 9.36 -1.26 -5.02 117.16 117.58 1k36 n TYR 13 Ca 0.49 0.08 -0.40 0.00 3.32 0.00 0.00 57.90 61.39 1k36 n TYR 13 Cb 0.32 0.18 -0.09 0.00 -0.63 0.00 0.00 39.34 39.12 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 8.70 0.73 -7.16 0.00 3.38 -1.42 -3.41 115.31 116.13 1k36 h LEU 15 Ca -0.31 -0.88 -0.63 0.00 0.09 0.00 0.00 57.88 56.15 1k36 h LEU 15 Cb 1.15 -0.24 -0.41 0.00 0.09 0.00 0.00 40.66 41.25 1k36 h LEU 15 CO 0.67 1.72 -0.62 -1.00 0.09 0.00 0.00 178.44 179.30 1k36 s HIS 16 N -2.60 3.24 -0.03 1.13 3.76 -1.06 -5.05 115.29 114.68 1k36 s HIS 16 Ca -0.11 -3.19 -0.30 0.00 -0.15 0.00 0.00 55.06 51.31 1k36 s HIS 16 Cb 0.05 -2.63 0.11 0.00 1.11 0.00 0.00 32.58 31.22 1k36 s HIS 16 CO 0.91 -0.64 1.31 0.20 -0.85 0.00 0.00 174.74 175.67 1k36 s GLY 17 N -0.87 -0.26 0.03 -2.22 0.00 -1.26 -1.62 107.32 101.12 1k36 s GLY 17 Ca 0.22 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 1k36 s GLY 17 CO -0.10 3.56 0.42 1.20 0.00 0.00 0.00 173.10 178.18 1k36 s GLN 18 N -2.13 3.89 -0.24 2.90 -0.21 -0.13 -4.88 119.66 118.86 1k36 s GLN 18 Ca 0.24 0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.87 1k36 s GLN 18 Cb 0.02 -3.15 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1k36 s GLN 18 CO -0.03 0.65 0.22 0.00 -2.12 0.00 0.00 175.29 174.01 1k36 n ILE 20 N 4.44 0.00 -3.91 0.00 -0.00 -0.55 -3.36 119.36 115.98 1k36 n ILE 20 Ca -0.13 -0.83 -0.14 0.00 -0.00 0.00 0.00 62.75 61.65 1k36 n ILE 20 Cb 0.52 0.45 -0.15 0.00 -0.00 0.00 0.00 39.64 40.46 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 -3.21 0.13 -0.07 4.28 6.14 -0.17 -2.43 117.35 122.02 1k36 s TYR 21 Ca 0.14 0.01 -0.17 0.00 0.64 0.00 0.00 57.07 57.69 1k36 s TYR 21 Cb 0.00 -0.16 -0.05 0.00 0.42 0.00 0.00 41.96 42.18 1k36 s TYR 21 CO 0.10 -0.04 0.45 -0.51 0.64 0.00 0.00 175.55 176.19 1k36 s LEU 22 N 0.34 4.36 0.01 6.97 2.01 -1.09 -2.29 118.68 128.98 1k36 s LEU 22 Ca -0.03 0.87 0.15 0.00 0.01 0.00 0.00 54.13 55.14 1k36 s LEU 22 Cb -0.05 -2.65 -0.18 0.00 0.01 0.00 0.00 46.19 43.32 1k36 s LEU 22 CO -0.01 0.13 0.73 0.55 1.01 0.00 0.00 176.35 178.77 1k36 n VAL 23 N 2.93 1.37 0.38 -1.59 3.14 -1.24 -2.50 118.33 120.81 1k36 n VAL 23 Ca -0.10 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.67 1k36 n VAL 23 Cb 0.52 -0.86 0.33 0.00 -1.06 0.00 0.00 33.84 32.76 1k36 n VAL 23 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1k36 h ASP 24 N 0.00 0.00 -1.74 6.55 3.32 -1.93 -3.34 116.42 119.28 1k36 h ASP 24 Ca -0.23 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.34 1k36 h ASP 24 Cb 1.79 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.97 1k36 h ASP 24 CO 0.06 0.00 -1.07 0.23 -1.72 0.00 0.00 179.24 176.74 1k36 n MET 25 N -2.74 0.85 -0.66 3.56 2.81 -1.25 -5.06 117.12 114.63 1k36 n MET 25 Ca 0.04 -3.11 -0.09 0.00 -1.81 0.00 0.00 57.70 52.73 1k36 n MET 25 Cb 0.45 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.85 -0.71 -3.67 7.83 3.41 -1.04 -4.60 113.62 115.69 1k36 n SER 26 Ca 0.21 -0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.44 1k36 n SER 26 Cb 0.61 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 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 3.09 1.85 -0.17 4.33 -2.07 -1.23 -4.99 119.66 120.47 1k36 s GLN 27 Ca 0.53 -1.06 -0.29 0.00 -1.82 0.00 0.00 55.36 52.71 1k36 s GLN 27 Cb -0.34 0.60 -0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1k36 s GLN 27 CO 0.23 -0.85 1.02 0.54 -1.32 0.00 0.00 175.29 174.90 1k36 s ASN 28 N -2.95 7.17 -0.14 12.60 4.22 -1.26 -2.67 114.94 131.90 1k36 s ASN 28 Ca 0.12 1.45 -0.01 0.00 -2.14 0.00 0.00 52.86 52.28 1k36 s ASN 28 Cb -0.06 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.91 1k36 s ASN 28 CO 0.08 -0.56 -0.11 -0.47 -2.04 0.00 0.00 177.10 174.00 1k36 s TYR 29 N 2.60 2.86 -0.18 1.54 6.14 -1.02 -4.93 117.35 124.36 1k36 s TYR 29 Ca 0.46 -0.58 -0.01 0.00 0.64 0.00 0.00 57.07 57.58 1k36 s TYR 29 Cb -0.17 -1.87 0.05 0.00 0.42 0.00 0.00 41.96 40.39 1k36 s TYR 29 CO 0.12 -0.18 -0.03 0.00 0.64 0.00 0.00 175.55 176.09 1k36 s ARG 31 N 1.65 4.65 0.64 0.00 6.06 -0.84 -4.86 118.95 126.25 1k36 s ARG 31 Ca -0.01 1.47 -0.11 0.00 -2.50 0.00 0.00 55.73 54.58 1k36 s ARG 31 Cb -0.16 -3.39 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 1k36 s ARG 31 CO -0.07 0.12 1.04 0.00 -2.50 0.00 0.00 175.30 173.89 1k36 s GLU 33 N -5.16 3.85 -0.99 0.00 2.12 -0.64 -4.79 118.70 113.09 1k36 s GLU 33 Ca 0.56 0.90 -0.18 0.00 0.36 0.00 0.00 54.97 56.61 1k36 s GLU 33 Cb -0.12 -3.86 -0.28 0.00 0.26 0.00 0.00 34.13 30.13 1k36 s GLU 33 CO 0.54 -1.21 2.38 0.28 -0.54 0.00 0.00 175.26 176.71 1k36 n VAL 34 N 6.45 -0.00 0.00 3.70 0.31 -1.26 -1.41 118.33 126.12 1k36 n VAL 34 Ca 0.13 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1k36 n VAL 34 Cb 0.48 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 5.93 0.31 3.90 2.92 0.00 -1.26 -5.15 105.19 111.85 1k36 n GLY 35 Ca 0.66 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.40 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 3.19 -0.40 1.61 1.51 -0.50 -3.75 117.35 119.01 1k36 s TYR 36 Ca 0.00 0.82 0.06 0.00 -1.01 0.00 0.00 57.07 56.95 1k36 s TYR 36 Cb 0.00 -3.08 0.43 0.00 -0.11 0.00 0.00 41.96 39.20 1k36 s TYR 36 CO 0.00 -1.23 1.12 -2.37 -1.11 0.00 0.00 175.55 171.96 1k36 n THR 37 N -2.95 2.31 -3.45 -0.71 5.66 -1.17 -4.78 114.28 109.19 1k36 n THR 37 Ca 0.07 -4.66 -0.13 0.00 -3.05 0.00 0.00 64.05 56.27 1k36 n THR 37 Cb 0.58 -1.10 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 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 -0.14 1.09 0.00 -1.26 -5.00 107.32 97.88 1k36 s GLY 38 Ca 0.47 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.97 1k36 s GLY 38 CO -0.13 0.36 1.18 1.55 0.00 0.00 0.00 173.10 176.06 1k36 n VAL 39 N -0.07 1.49 0.00 1.40 3.14 -1.26 -3.62 118.33 119.41 1k36 n VAL 39 Ca -0.17 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.52 1k36 n VAL 39 Cb 0.63 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.09 2.05 -2.44 1.45 0.63 -1.26 -5.03 116.66 112.15 1k36 n ARG 40 Ca 0.17 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.09 1k36 n ARG 40 Cb 0.79 -0.82 0.01 0.00 0.45 0.00 0.00 32.46 32.89 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 -1.61 1.47 -4.10 0.00 0.00 -1.26 -1.52 120.64 113.61 1k36 n GLU 42 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.87 1k36 n GLU 42 Cb 0.51 -0.55 -0.17 0.00 0.00 0.00 0.00 31.44 31.23 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 -0.91 1.81 -0.68 4.31 -3.43 -1.26 -4.99 115.29 110.14 1k36 s HIS 43 Ca 0.00 -0.92 -0.25 0.00 -0.80 0.00 0.00 55.06 53.08 1k36 s HIS 43 Cb 0.00 -1.38 0.04 0.00 -1.43 0.00 0.00 32.58 29.81 1k36 s HIS 43 CO 0.00 -0.54 1.14 0.12 -2.00 0.00 0.00 174.74 173.46 1k36 s PHE 44 N 1.41 2.49 -0.38 0.38 5.36 -1.26 -3.05 117.98 122.93 1k36 s PHE 44 Ca 0.01 -0.16 0.21 0.00 -0.96 0.00 0.00 56.93 56.04 1k36 s PHE 44 Cb -0.13 -4.46 1.01 0.00 -0.34 0.00 0.00 43.02 39.10 1k36 s PHE 44 CO -0.07 -1.82 1.64 1.97 -1.46 0.00 0.00 175.22 175.47 1k36 n PHE 45 N 8.57 0.70 1.26 10.12 1.16 -1.25 -4.95 117.46 133.08 1k36 n PHE 45 Ca 0.01 0.32 0.13 0.00 -1.87 0.00 0.00 57.45 56.05 1k36 n PHE 45 Cb 0.48 -1.02 0.32 0.00 -1.61 0.00 0.00 39.48 37.64 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17