#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 7.53 -4.02 -1.34 7.64 -1.26 -4.93 113.62 117.23 1k36 n SER 2 Ca 0.00 -3.71 -0.08 0.00 1.01 0.00 0.00 58.87 56.08 1k36 n SER 2 Cb 0.00 -1.01 -0.09 0.00 -1.01 0.00 0.00 64.21 62.10 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 -4.56 0.16 0.10 0.44 2.07 -1.26 -2.72 121.20 115.42 1k36 s ILE 3 Ca 0.59 -1.61 -0.05 0.00 -1.41 0.00 0.00 60.65 58.17 1k36 s ILE 3 Cb 0.47 -1.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.42 1k36 s ILE 3 CO -0.10 -0.72 0.12 -0.89 -1.91 0.00 0.00 174.94 171.44 1k36 s THR 4 N -3.94 0.14 0.64 4.00 2.01 -0.75 -4.86 115.64 112.88 1k36 s THR 4 Ca 0.11 -1.56 -0.06 0.00 0.31 0.00 0.00 61.69 60.49 1k36 s THR 4 Cb 0.07 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.96 1k36 s THR 4 CO -0.07 -0.64 0.94 -0.54 -0.69 0.00 0.00 174.62 173.63 1k36 s LYS 5 N -3.94 2.54 0.66 4.92 1.02 -1.26 0.19 119.74 123.87 1k36 s LYS 5 Ca 0.12 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 1k36 s LYS 5 Cb 0.06 -2.25 0.14 0.00 -0.52 0.00 0.00 37.83 35.26 1k36 s LYS 5 CO -0.06 -0.95 0.91 0.00 -0.92 0.00 0.00 175.35 174.32 1k36 n SER 7 N -3.04 0.26 -4.79 0.00 2.88 -1.26 -5.08 113.62 102.59 1k36 n SER 7 Ca 0.14 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.42 1k36 n SER 7 Cb 0.51 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 1k36 n SER 7 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1k36 s SER 8 N -0.17 4.53 -0.53 -3.46 0.01 -1.26 -3.92 113.70 108.90 1k36 s SER 8 Ca 0.00 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1k36 s SER 8 Cb 0.00 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1k36 s SER 8 CO 0.00 -1.78 0.00 -0.67 0.41 0.00 0.00 173.24 171.20 1k36 n ASP 9 N -3.02 -1.90 0.00 2.44 -0.08 -1.26 -4.65 116.55 108.07 1k36 n ASP 9 Ca 0.10 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1k36 n ASP 9 Cb 0.60 -1.86 0.00 0.00 2.34 0.00 0.00 41.12 42.21 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1k36 n MET 10 N -2.04 0.11 -1.83 -0.67 1.56 -1.25 -4.76 117.12 108.25 1k36 n MET 10 Ca -0.06 -0.65 -0.38 0.00 -0.27 0.00 0.00 57.70 56.34 1k36 n MET 10 Cb 0.38 -0.90 0.05 0.00 2.15 0.00 0.00 33.22 34.90 1k36 n MET 10 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1k36 n ASN 11 N -0.11 7.36 -0.05 6.12 3.02 -1.26 -4.41 115.26 125.93 1k36 n ASN 11 Ca 0.00 -3.82 0.06 0.00 -0.03 0.00 0.00 54.58 50.79 1k36 n ASN 11 Cb 0.12 -1.00 0.08 0.00 -0.61 0.00 0.00 39.78 38.38 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k36 n GLY 12 N -0.62 4.02 0.37 7.41 0.00 -1.26 -4.75 105.19 110.36 1k36 n GLY 12 Ca 0.55 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.04 0.00 -3.83 1.61 9.36 -1.26 -4.94 117.16 117.05 1k36 n TYR 13 Ca 0.09 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.95 1k36 n TYR 13 Cb 0.49 -0.61 -0.13 0.00 -0.63 0.00 0.00 39.34 38.45 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 4.83 2.40 -4.17 0.00 4.77 -0.78 -4.63 117.00 119.43 1k36 n LEU 15 Ca -0.16 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 1k36 n LEU 15 Cb 0.50 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 1k36 n LEU 15 CO 0.30 0.68 0.36 -1.00 -1.33 0.00 0.00 177.39 176.40 1k36 s HIS 16 N -2.50 3.83 -1.07 -1.77 3.76 -1.19 -4.98 115.29 111.38 1k36 s HIS 16 Ca -0.25 -2.76 0.00 0.00 -0.15 0.00 0.00 55.06 51.90 1k36 s HIS 16 Cb 0.07 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.35 1k36 s HIS 16 CO 0.71 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 1k36 n GLY 17 N 2.87 -0.63 3.22 -2.22 0.00 -1.26 -0.05 105.19 107.12 1k36 n GLY 17 Ca 0.18 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.43 2.44 0.15 1.61 -1.52 -0.69 -4.96 119.66 116.25 1k36 s GLN 18 Ca 0.00 -0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 52.37 1k36 s GLN 18 Cb 0.00 -2.01 -0.08 0.00 -0.22 0.00 0.00 33.01 30.70 1k36 s GLN 18 CO 0.00 0.29 0.72 0.00 -0.25 0.00 0.00 175.29 176.05 1k36 n ILE 20 N 1.56 0.00 -3.78 0.00 -5.35 -0.39 -4.66 119.36 106.73 1k36 n ILE 20 Ca -0.07 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 1k36 n ILE 20 Cb 0.49 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.28 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k36 s TYR 21 N -7.06 -0.28 -0.06 4.28 6.14 0.51 -2.50 117.35 118.38 1k36 s TYR 21 Ca 0.00 0.69 -0.17 0.00 0.64 0.00 0.00 57.07 58.23 1k36 s TYR 21 Cb 0.00 0.09 -0.05 0.00 0.42 0.00 0.00 41.96 42.42 1k36 s TYR 21 CO 0.00 -0.14 0.46 -0.51 0.64 0.00 0.00 175.55 176.00 1k36 s LEU 22 N 0.17 4.37 -0.01 6.97 2.01 -1.07 -1.80 118.68 129.32 1k36 s LEU 22 Ca -0.00 0.90 0.14 0.00 0.01 0.00 0.00 54.13 55.19 1k36 s LEU 22 Cb -0.02 -2.67 -0.20 0.00 0.01 0.00 0.00 46.19 43.32 1k36 s LEU 22 CO 0.00 0.15 0.70 0.55 1.01 0.00 0.00 176.35 178.75 1k36 n VAL 23 N 2.82 1.43 0.71 -1.59 3.14 -1.10 -2.60 118.33 121.13 1k36 n VAL 23 Ca -0.10 -0.76 0.13 0.00 -2.96 0.00 0.00 64.34 60.65 1k36 n VAL 23 Cb 0.52 -0.89 0.47 0.00 -1.06 0.00 0.00 33.84 32.88 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 -2.97 0.49 -3.05 6.55 5.68 -1.26 -3.94 116.55 118.06 1k36 n ASP 24 Ca -0.15 0.56 -0.17 0.00 -0.50 0.00 0.00 54.79 54.53 1k36 n ASP 24 Cb 0.97 -0.69 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1k36 n MET 25 N -1.98 0.84 -0.70 0.11 0.00 -1.25 -5.06 117.12 109.08 1k36 n MET 25 Ca 0.05 -2.82 -0.09 0.00 0.00 0.00 0.00 57.70 54.85 1k36 n MET 25 Cb 0.36 -1.38 -0.09 0.00 0.00 0.00 0.00 33.22 32.11 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1k36 n SER 26 N 0.99 -0.80 -3.80 6.12 3.41 -1.07 -4.58 113.62 113.89 1k36 n SER 26 Ca 0.18 -0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 1k36 n SER 26 Cb 0.61 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 3.30 1.65 -0.02 4.33 0.74 -1.23 -5.00 119.66 123.43 1k36 s GLN 27 Ca 0.52 -0.94 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 1k36 s GLN 27 Cb -0.34 0.58 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 1k36 s GLN 27 CO 0.23 -0.74 1.13 0.54 -0.55 0.00 0.00 175.29 175.90 1k36 s ASN 28 N -2.90 7.14 -0.17 6.67 4.22 -1.26 -2.61 114.94 126.03 1k36 s ASN 28 Ca 0.11 1.81 0.01 0.00 -2.14 0.00 0.00 52.86 52.64 1k36 s ASN 28 Cb -0.04 -2.57 0.02 0.00 1.28 0.00 0.00 41.25 39.94 1k36 s ASN 28 CO 0.03 -0.47 -0.17 -0.47 -2.04 0.00 0.00 177.10 173.98 1k36 s TYR 29 N 1.64 2.47 -0.20 1.54 6.14 -1.04 -4.90 117.35 123.01 1k36 s TYR 29 Ca 0.55 -1.44 0.01 0.00 0.64 0.00 0.00 57.07 56.83 1k36 s TYR 29 Cb -0.24 -1.75 0.04 0.00 0.42 0.00 0.00 41.96 40.42 1k36 s TYR 29 CO 0.25 -0.74 -0.11 0.00 0.64 0.00 0.00 175.55 175.58 1k36 s ARG 31 N 1.38 4.00 0.79 0.00 6.06 -0.93 -4.91 118.95 125.35 1k36 s ARG 31 Ca -0.01 0.94 -0.12 0.00 -2.50 0.00 0.00 55.73 54.04 1k36 s ARG 31 Cb -0.16 -3.76 0.07 0.00 0.06 0.00 0.00 34.95 31.16 1k36 s ARG 31 CO -0.09 -0.93 1.16 0.00 -2.50 0.00 0.00 175.30 172.95 1k36 s GLU 33 N -5.52 4.01 -0.29 0.00 2.12 0.93 -4.84 118.70 115.12 1k36 s GLU 33 Ca 0.61 1.01 -0.32 0.00 0.36 0.00 0.00 54.97 56.63 1k36 s GLU 33 Cb -0.11 -3.77 -0.09 0.00 0.26 0.00 0.00 34.13 30.42 1k36 s GLU 33 CO 0.50 -0.98 2.20 0.28 -0.54 0.00 0.00 175.26 176.72 1k36 n VAL 34 N 6.03 0.25 0.00 3.70 0.31 -1.26 -2.23 118.33 125.13 1k36 n VAL 34 Ca 0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1k36 n VAL 34 Cb 0.47 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 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 6.21 0.30 3.90 2.92 0.00 -1.26 -5.14 105.19 112.13 1k36 n GLY 35 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.11 1.67 -0.32 1.61 2.02 -0.95 -4.72 117.35 116.54 1k36 s TYR 36 Ca 0.00 0.38 0.08 0.00 -0.37 0.00 0.00 57.07 57.16 1k36 s TYR 36 Cb 0.00 -4.01 0.54 0.00 -0.40 0.00 0.00 41.96 38.09 1k36 s TYR 36 CO 0.00 -2.65 1.55 -2.37 -1.57 0.00 0.00 175.55 170.51 1k36 n THR 37 N -3.79 2.67 -3.46 -0.71 5.66 -1.17 -4.87 114.28 108.61 1k36 n THR 37 Ca 0.14 -2.62 -0.15 0.00 -3.05 0.00 0.00 64.05 58.38 1k36 n THR 37 Cb 0.60 -0.35 -0.04 0.00 -1.55 0.00 0.00 70.33 68.99 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 -2.33 -0.60 -0.19 1.09 0.00 -1.26 -4.99 107.32 99.04 1k36 s GLY 38 Ca 0.47 0.84 -0.02 0.00 0.00 0.00 0.00 44.72 46.01 1k36 s GLY 38 CO 0.02 0.50 2.53 1.55 0.00 0.00 0.00 173.10 177.69 1k36 n VAL 39 N 0.17 2.73 -1.99 1.40 3.14 -1.26 -3.50 118.33 119.02 1k36 n VAL 39 Ca -0.18 -1.59 -0.02 0.00 -2.96 0.00 0.00 64.34 59.60 1k36 n VAL 39 Cb 0.62 -1.58 -0.02 0.00 -1.06 0.00 0.00 33.84 31.80 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 1.24 0.00 -1.79 1.45 0.63 -1.26 -4.99 116.66 111.94 1k36 n ARG 40 Ca 0.29 -0.22 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1k36 n ARG 40 Cb 0.63 0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.65 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 0.90 0.00 -5.02 0.00 0.00 -1.26 -1.87 120.64 113.39 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1k36 n GLU 42 Cb 0.23 -0.10 -0.16 0.00 0.00 0.00 0.00 31.44 31.41 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 -1.50 2.66 -0.13 4.31 -3.43 -1.26 -5.01 115.29 110.92 1k36 s HIS 43 Ca 0.00 -0.92 -0.23 0.00 -0.80 0.00 0.00 55.06 53.11 1k36 s HIS 43 Cb 0.00 -1.77 -0.03 0.00 -1.43 0.00 0.00 32.58 29.36 1k36 s HIS 43 CO 0.00 -0.36 0.70 0.12 -2.00 0.00 0.00 174.74 173.20 1k36 s PHE 44 N 0.38 3.47 -2.19 0.38 5.36 -1.26 -3.04 117.98 121.08 1k36 s PHE 44 Ca -0.15 1.14 0.24 0.00 -0.96 0.00 0.00 56.93 57.20 1k36 s PHE 44 Cb -0.17 -2.84 1.16 0.00 -0.34 0.00 0.00 43.02 40.82 1k36 s PHE 44 CO 0.07 -0.07 1.78 0.34 -1.46 0.00 0.00 175.22 175.88 1k36 n PHE 45 N 4.52 0.06 0.06 10.12 7.35 -1.26 -4.93 117.46 133.37 1k36 n PHE 45 Ca -0.00 -0.03 0.01 0.00 -0.76 0.00 0.00 57.45 56.67 1k36 n PHE 45 Cb 0.50 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.34 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28