#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 6.28 0.16 4.52 0.15 -1.26 -4.99 113.70 118.56 1k36 s SER 2 Ca 0.00 -0.93 0.10 0.00 0.70 0.00 0.00 55.95 55.82 1k36 s SER 2 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1k36 s SER 2 CO 0.00 -1.61 -0.22 -0.51 1.20 0.00 0.00 173.24 172.09 1k36 s ILE 3 N 4.96 2.04 0.38 6.45 1.10 -1.26 -3.18 121.20 131.70 1k36 s ILE 3 Ca 0.35 -1.85 0.04 0.00 -0.51 0.00 0.00 60.65 58.68 1k36 s ILE 3 Cb -0.08 -1.90 -0.05 0.00 0.15 0.00 0.00 42.46 40.58 1k36 s ILE 3 CO 0.06 -0.13 0.06 -0.89 -2.11 0.00 0.00 174.94 171.93 1k36 s THR 4 N -1.57 1.21 0.47 4.00 2.01 -0.72 -4.84 115.64 116.19 1k36 s THR 4 Ca 0.15 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.16 1k36 s THR 4 Cb -0.08 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.78 1k36 s THR 4 CO 0.07 0.00 0.68 -0.75 -0.69 0.00 0.00 174.62 173.93 1k36 s LYS 5 N -3.82 2.91 0.00 4.92 2.47 -1.26 0.22 119.74 125.18 1k36 s LYS 5 Ca 0.30 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 1k36 s LYS 5 Cb 0.07 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.88 1k36 s LYS 5 CO 0.14 -0.37 0.00 0.00 0.16 0.00 0.00 175.35 175.28 1k36 n SER 7 N 0.00 -0.08 -0.12 0.00 2.88 -1.26 -5.01 113.62 110.03 1k36 n SER 7 Ca 0.00 -3.00 0.03 0.00 -1.33 0.00 0.00 58.87 54.57 1k36 n SER 7 Cb 0.00 1.35 0.15 0.00 -0.75 0.00 0.00 64.21 64.96 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1k36 n SER 8 N -1.73 0.34 -0.29 -3.46 7.64 -1.26 -3.28 113.62 111.58 1k36 n SER 8 Ca 0.03 -1.87 0.07 0.00 1.01 0.00 0.00 58.87 58.11 1k36 n SER 8 Cb 0.56 -0.04 0.11 0.00 -1.01 0.00 0.00 64.21 63.82 1k36 n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k36 n ASP 9 N -0.38 1.64 -0.68 6.43 2.03 -1.26 -4.70 116.55 119.63 1k36 n ASP 9 Ca 0.05 -2.86 0.01 0.00 0.52 0.00 0.00 54.79 52.51 1k36 n ASP 9 Cb 0.07 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k36 n MET 10 N -0.96 0.00 -3.76 -0.67 1.56 -1.21 -5.00 117.12 107.08 1k36 n MET 10 Ca 0.12 -1.10 -0.36 0.00 -0.27 0.00 0.00 57.70 56.09 1k36 n MET 10 Cb 0.68 -0.37 -0.10 0.00 2.15 0.00 0.00 33.22 35.58 1k36 n MET 10 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1k36 s ASN 11 N -1.10 5.12 -0.39 6.12 0.01 -1.26 -4.85 114.94 118.58 1k36 s ASN 11 Ca 0.06 -2.80 0.10 0.00 -0.71 0.00 0.00 52.86 49.50 1k36 s ASN 11 Cb 0.07 -1.82 0.39 0.00 0.41 0.00 0.00 41.25 40.30 1k36 s ASN 11 CO -0.03 -0.36 1.35 0.61 -1.51 0.00 0.00 177.10 177.16 1k36 n GLY 12 N 3.53 1.38 2.03 0.66 0.00 -1.26 -5.01 105.19 106.52 1k36 n GLY 12 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.63 -1.72 -2.87 1.61 9.36 -1.26 -5.08 117.16 116.57 1k36 n TYR 13 Ca -0.03 0.33 -0.41 0.00 3.32 0.00 0.00 57.90 61.11 1k36 n TYR 13 Cb 0.85 0.93 -0.04 0.00 -0.63 0.00 0.00 39.34 40.45 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 h LEU 15 N 7.85 0.39 -7.04 0.00 3.38 -1.70 -3.41 115.31 114.78 1k36 h LEU 15 Ca -0.33 -0.90 -0.69 0.00 0.09 0.00 0.00 57.88 56.06 1k36 h LEU 15 Cb 1.15 -0.13 -0.37 0.00 0.09 0.00 0.00 40.66 41.41 1k36 h LEU 15 CO 0.82 1.80 -0.15 1.41 0.09 0.00 0.00 178.44 182.40 1k36 n HIS 16 N -3.63 3.78 -3.89 1.13 8.25 -1.25 -5.01 115.22 114.59 1k36 n HIS 16 Ca -0.31 -4.00 -0.02 0.00 -0.26 0.00 0.00 57.72 53.13 1k36 n HIS 16 Cb 1.00 -0.97 0.02 0.00 1.12 0.00 0.00 29.99 31.15 1k36 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k36 s GLY 17 N -0.94 0.04 -0.08 -1.41 0.00 -1.26 -1.30 107.32 102.36 1k36 s GLY 17 Ca 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 1k36 s GLY 17 CO -0.09 2.93 -0.00 1.20 0.00 0.00 0.00 173.10 177.14 1k36 s GLN 18 N -2.18 2.96 0.20 2.90 -0.21 -0.83 -4.93 119.66 117.56 1k36 s GLN 18 Ca 0.23 -0.42 -0.27 0.00 0.02 0.00 0.00 55.36 54.91 1k36 s GLN 18 Cb -0.02 -2.78 -0.08 0.00 1.00 0.00 0.00 33.01 31.13 1k36 s GLN 18 CO 0.04 0.70 0.85 0.00 -2.12 0.00 0.00 175.29 174.76 1k36 n ILE 20 N 1.58 0.00 -3.70 0.00 -5.35 -0.56 -4.47 119.36 106.86 1k36 n ILE 20 Ca -0.04 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.30 1k36 n ILE 20 Cb 0.48 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.29 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 -4.43 -0.50 -0.04 4.28 6.14 0.58 -2.48 117.35 120.90 1k36 s TYR 21 Ca 0.00 1.19 -0.16 0.00 0.64 0.00 0.00 57.07 58.73 1k36 s TYR 21 Cb 0.00 0.19 -0.05 0.00 0.42 0.00 0.00 41.96 42.51 1k36 s TYR 21 CO 0.00 -0.29 0.44 -0.51 0.64 0.00 0.00 175.55 175.83 1k36 s LEU 22 N 0.01 4.40 -0.00 6.97 2.01 -1.08 -1.76 118.68 129.23 1k36 s LEU 22 Ca -0.02 0.92 0.15 0.00 0.01 0.00 0.00 54.13 55.19 1k36 s LEU 22 Cb -0.03 -2.65 -0.19 0.00 0.01 0.00 0.00 46.19 43.33 1k36 s LEU 22 CO 0.02 0.20 0.70 0.55 1.01 0.00 0.00 176.35 178.82 1k36 n VAL 23 N 2.54 1.37 0.73 -1.59 3.14 -1.19 -2.61 118.33 120.71 1k36 n VAL 23 Ca -0.11 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.65 1k36 n VAL 23 Cb 0.52 -0.84 0.48 0.00 -1.06 0.00 0.00 33.84 32.94 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 -2.94 0.48 -3.01 6.55 5.68 -1.26 -3.99 116.55 118.05 1k36 n ASP 24 Ca -0.14 0.55 -0.16 0.00 -0.50 0.00 0.00 54.79 54.54 1k36 n ASP 24 Cb 0.95 -0.68 -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 0.23 -1.33 0.00 0.00 177.20 176.10 1k36 n MET 25 N -1.96 0.84 -0.71 0.11 2.81 -1.25 -5.06 117.12 111.91 1k36 n MET 25 Ca 0.06 -2.70 -0.10 0.00 -1.81 0.00 0.00 57.70 53.15 1k36 n MET 25 Cb 0.37 -1.37 -0.10 0.00 -0.71 0.00 0.00 33.22 31.41 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 1.01 -0.74 -3.54 7.83 3.41 -1.07 -4.59 113.62 115.92 1k36 n SER 26 Ca 0.17 -0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.31 1k36 n SER 26 Cb 0.61 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 3.32 1.00 0.24 4.33 0.74 -1.24 -4.99 119.66 123.06 1k36 s GLN 27 Ca 0.59 0.41 -0.31 0.00 0.05 0.00 0.00 55.36 56.10 1k36 s GLN 27 Cb -0.38 0.47 -0.12 0.00 1.10 0.00 0.00 33.01 34.08 1k36 s GLN 27 CO 0.26 -0.28 1.60 0.27 -0.55 0.00 0.00 175.29 176.59 1k36 n ASN 28 N 1.28 3.62 -3.97 6.67 0.23 -1.26 -2.64 115.26 119.20 1k36 n ASN 28 Ca -0.18 1.11 -0.27 0.00 -0.53 0.00 0.00 54.58 54.72 1k36 n ASN 28 Cb 0.57 -1.54 -0.17 0.00 -2.08 0.00 0.00 39.78 36.56 1k36 n ASN 28 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1k36 s TYR 29 N 0.44 1.61 -0.26 -2.53 6.14 -1.04 -4.87 117.35 116.85 1k36 s TYR 29 Ca 0.70 -0.76 -0.03 0.00 0.64 0.00 0.00 57.07 57.62 1k36 s TYR 29 Cb -0.55 -1.25 0.02 0.00 0.42 0.00 0.00 41.96 40.60 1k36 s TYR 29 CO 0.43 -0.47 -0.03 0.00 0.64 0.00 0.00 175.55 176.12 1k36 s ARG 31 N 1.36 3.15 0.87 0.00 6.06 -0.98 -4.93 118.95 124.48 1k36 s ARG 31 Ca 0.01 -0.65 -0.13 0.00 -2.50 0.00 0.00 55.73 52.45 1k36 s ARG 31 Cb -0.17 -4.20 0.13 0.00 0.06 0.00 0.00 34.95 30.77 1k36 s ARG 31 CO -0.03 -1.85 1.22 0.00 -2.50 0.00 0.00 175.30 172.14 1k36 s GLU 33 N -5.66 4.48 0.20 0.00 2.12 -0.42 -4.90 118.70 114.52 1k36 s GLU 33 Ca 0.66 1.43 0.22 0.00 0.36 0.00 0.00 54.97 57.65 1k36 s GLU 33 Cb -0.09 -3.50 0.90 0.00 0.26 0.00 0.00 34.13 31.71 1k36 s GLU 33 CO 0.51 -0.20 1.68 0.28 -0.54 0.00 0.00 175.26 176.99 1k36 n VAL 34 N 4.24 0.80 0.93 3.70 0.31 -1.26 -2.27 118.33 124.78 1k36 n VAL 34 Ca 0.08 0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.68 1k36 n VAL 34 Cb 0.50 -1.04 0.52 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.20 -1.12 3.92 2.92 0.00 -1.26 -4.79 105.19 105.07 1k36 n GLY 35 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.75 1.66 -0.29 1.61 2.02 -0.96 -4.76 117.35 113.88 1k36 s TYR 36 Ca 0.17 0.35 0.10 0.00 -0.37 0.00 0.00 57.07 57.32 1k36 s TYR 36 Cb 0.15 -4.07 0.54 0.00 -0.40 0.00 0.00 41.96 38.17 1k36 s TYR 36 CO 0.36 -2.62 1.52 -2.37 -1.57 0.00 0.00 175.55 170.87 1k36 n THR 37 N -3.76 2.59 -3.47 -0.71 5.66 -1.18 -4.88 114.28 108.53 1k36 n THR 37 Ca 0.15 -2.44 -0.13 0.00 -3.05 0.00 0.00 64.05 58.58 1k36 n THR 37 Cb 0.59 -0.33 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.22 -0.56 -0.18 1.09 0.00 -1.26 -4.99 107.32 99.19 1k36 s GLY 38 Ca 0.46 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 1k36 s GLY 38 CO 0.03 0.27 2.44 -0.62 0.00 0.00 0.00 173.10 175.23 1k36 n VAL 39 N -0.07 2.66 -1.92 1.40 0.31 -1.26 -3.48 118.33 115.97 1k36 n VAL 39 Ca -0.17 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.69 1k36 n VAL 39 Cb 0.63 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k36 n ARG 40 N 1.21 0.00 -2.15 5.55 0.00 -1.26 -5.01 116.66 115.00 1k36 n ARG 40 Ca 0.26 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.85 57.93 1k36 n ARG 40 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.97 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 0.94 0.00 -4.73 0.00 2.13 -1.26 -3.08 120.64 114.64 1k36 n GLU 42 Ca -0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1k36 n GLU 42 Cb 0.31 -0.09 -0.16 0.00 0.27 0.00 0.00 31.44 31.77 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 -1.10 2.70 -0.09 4.31 -3.43 -1.26 -5.10 115.29 111.32 1k36 s HIS 43 Ca 0.00 -1.14 -0.22 0.00 -0.80 0.00 0.00 55.06 52.89 1k36 s HIS 43 Cb 0.00 -1.82 -0.04 0.00 -1.43 0.00 0.00 32.58 29.29 1k36 s HIS 43 CO 0.00 -0.51 0.67 0.12 -2.00 0.00 0.00 174.74 173.02 1k36 s PHE 44 N 0.70 3.54 -0.10 0.38 5.36 -1.26 -3.09 117.98 123.51 1k36 s PHE 44 Ca -0.09 1.16 0.09 0.00 -0.96 0.00 0.00 56.93 57.14 1k36 s PHE 44 Cb -0.16 -2.78 -0.24 0.00 -0.34 0.00 0.00 43.02 39.51 1k36 s PHE 44 CO 0.01 0.06 0.44 0.34 -1.46 0.00 0.00 175.22 174.61 1k36 n PHE 45 N 3.96 0.80 1.73 10.12 7.35 -1.26 -4.94 117.46 135.23 1k36 n PHE 45 Ca -0.02 0.26 0.15 0.00 -0.76 0.00 0.00 57.45 57.08 1k36 n PHE 45 Cb 0.51 -1.14 0.72 0.00 0.35 0.00 0.00 39.48 39.93 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28