#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 6.34 -0.07 4.52 0.01 -1.26 -5.04 113.70 118.20 1k36 s SER 2 Ca 0.00 -2.71 -0.01 0.00 1.31 0.00 0.00 55.95 54.54 1k36 s SER 2 Cb 0.00 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 1k36 s SER 2 CO 0.00 -0.53 -0.01 -0.51 0.41 0.00 0.00 173.24 172.60 1k36 s ILE 3 N 0.14 4.18 0.43 1.44 1.10 -1.26 -3.45 121.20 123.79 1k36 s ILE 3 Ca 0.17 -0.35 0.08 0.00 -0.51 0.00 0.00 60.65 60.04 1k36 s ILE 3 Cb -0.13 -2.77 -0.02 0.00 0.15 0.00 0.00 42.46 39.69 1k36 s ILE 3 CO -0.07 0.56 0.37 -0.89 -2.11 0.00 0.00 174.94 172.81 1k36 s THR 4 N -0.91 2.57 0.45 4.00 2.01 -0.96 -4.83 115.64 117.97 1k36 s THR 4 Ca 0.14 -1.37 0.08 0.00 0.31 0.00 0.00 61.69 60.85 1k36 s THR 4 Cb -0.11 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1k36 s THR 4 CO 0.04 0.00 0.47 -0.54 -0.69 0.00 0.00 174.62 173.89 1k36 s LYS 5 N -4.13 2.54 0.00 4.92 1.02 -1.26 -0.02 119.74 122.80 1k36 s LYS 5 Ca 0.47 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1k36 s LYS 5 Cb -0.03 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1k36 s LYS 5 CO 0.27 -0.33 0.00 0.00 -0.92 0.00 0.00 175.35 174.38 1k36 n SER 7 N 0.00 0.00 0.00 0.00 3.41 -1.26 -5.06 113.62 110.71 1k36 n SER 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1k36 n SER 7 Cb 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k36 n SER 8 N -2.09 0.00 0.07 4.04 7.64 -1.26 -4.89 113.62 117.13 1k36 n SER 8 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1k36 n SER 8 Cb 0.00 0.17 0.29 0.00 -1.01 0.00 0.00 64.21 63.66 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k36 n ASP 9 N -1.73 0.26 -1.27 6.43 9.92 -1.26 -1.33 116.55 127.56 1k36 n ASP 9 Ca 0.00 0.61 0.04 0.00 -0.53 0.00 0.00 54.79 54.91 1k36 n ASP 9 Cb 0.00 -0.65 0.23 0.00 -0.64 0.00 0.00 41.12 40.07 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 -1.83 3.17 -3.74 -1.24 1.56 -1.26 -4.57 117.12 109.21 1k36 n MET 10 Ca 0.00 -1.79 -0.28 0.00 -0.27 0.00 0.00 57.70 55.36 1k36 n MET 10 Cb 0.06 -1.91 -0.12 0.00 2.15 0.00 0.00 33.22 33.40 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 -0.48 3.76 -0.41 6.12 -0.87 -0.45 -4.80 114.94 117.82 1k36 s ASN 11 Ca 0.31 -3.53 0.09 0.00 -1.57 0.00 0.00 52.86 48.17 1k36 s ASN 11 Cb 0.23 -1.25 0.34 0.00 -0.02 0.00 0.00 41.25 40.55 1k36 s ASN 11 CO 0.10 -0.12 0.93 0.61 -2.57 0.00 0.00 177.10 176.04 1k36 n GLY 12 N 2.36 2.09 2.12 0.66 0.00 -1.26 -4.96 105.19 106.20 1k36 n GLY 12 Ca 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.32 -3.78 -3.41 1.61 9.36 -1.26 -5.09 117.16 114.90 1k36 n TYR 13 Ca 0.15 0.93 -0.39 0.00 3.32 0.00 0.00 57.90 61.91 1k36 n TYR 13 Cb 0.68 2.52 -0.09 0.00 -0.63 0.00 0.00 39.34 41.82 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 5.32 2.07 -4.19 0.00 4.77 -0.86 -4.64 117.00 119.47 1k36 n LEU 15 Ca -0.09 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.85 1k36 n LEU 15 Cb 0.51 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 1k36 n LEU 15 CO 0.37 0.45 0.45 -1.00 -1.33 0.00 0.00 177.39 176.33 1k36 s HIS 16 N -2.42 3.94 -0.48 -1.77 3.76 -1.18 -4.98 115.29 112.16 1k36 s HIS 16 Ca -0.28 -2.81 0.00 0.00 -0.15 0.00 0.00 55.06 51.82 1k36 s HIS 16 Cb 0.07 -3.46 0.00 0.00 1.11 0.00 0.00 32.58 30.29 1k36 s HIS 16 CO 0.63 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 174.10 1k36 n GLY 17 N 2.71 -1.26 3.53 -2.22 0.00 -1.26 -0.31 105.19 106.39 1k36 n GLY 17 Ca 0.20 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.38 3.37 0.02 1.61 -1.52 -0.29 -4.93 119.66 117.54 1k36 s GLN 18 Ca 0.00 -0.52 -0.22 0.00 -1.95 0.00 0.00 55.36 52.67 1k36 s GLN 18 Cb 0.00 -2.81 -0.05 0.00 -0.22 0.00 0.00 33.01 29.92 1k36 s GLN 18 CO 0.00 0.39 0.65 0.00 -0.25 0.00 0.00 175.29 176.08 1k36 n ILE 20 N 2.68 0.00 -3.85 0.00 -5.35 -0.61 -4.42 119.36 107.81 1k36 n ILE 20 Ca -0.06 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1k36 n ILE 20 Cb 0.51 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.27 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 -7.08 -0.05 -0.06 4.28 6.14 0.97 -2.08 117.35 119.47 1k36 s TYR 21 Ca 0.00 0.13 -0.13 0.00 0.64 0.00 0.00 57.07 57.71 1k36 s TYR 21 Cb 0.00 0.01 -0.05 0.00 0.42 0.00 0.00 41.96 42.34 1k36 s TYR 21 CO 0.00 -0.03 0.34 -0.51 0.64 0.00 0.00 175.55 175.99 1k36 s LEU 22 N 0.09 4.40 0.03 6.97 2.01 -1.07 -2.25 118.68 128.85 1k36 s LEU 22 Ca -0.01 0.78 0.15 0.00 0.01 0.00 0.00 54.13 55.07 1k36 s LEU 22 Cb -0.01 -2.46 -0.17 0.00 0.01 0.00 0.00 46.19 43.56 1k36 s LEU 22 CO -0.00 0.27 0.77 0.55 1.01 0.00 0.00 176.35 178.95 1k36 n VAL 23 N 2.32 1.34 0.54 -1.59 3.14 -1.22 -2.48 118.33 120.37 1k36 n VAL 23 Ca -0.14 -0.73 0.13 0.00 -2.96 0.00 0.00 64.34 60.64 1k36 n VAL 23 Cb 0.53 -0.85 0.40 0.00 -1.06 0.00 0.00 33.84 32.86 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1k36 h ASP 24 N 0.00 0.00 -1.49 6.55 3.58 -1.94 -3.34 116.42 119.78 1k36 h ASP 24 Ca -0.20 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.80 1k36 h ASP 24 Cb 1.73 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 42.45 1k36 h ASP 24 CO 0.06 0.00 -0.98 0.23 -2.88 0.00 0.00 179.24 175.67 1k36 n MET 25 N -2.37 0.85 -0.65 0.28 2.81 -1.25 -5.06 117.12 111.74 1k36 n MET 25 Ca 0.05 -2.93 -0.08 0.00 -1.81 0.00 0.00 57.70 52.93 1k36 n MET 25 Cb 0.41 -1.41 -0.08 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 0.89 -0.75 -3.27 7.83 3.41 -1.04 -4.55 113.62 116.13 1k36 n SER 26 Ca 0.19 -0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.37 1k36 n SER 26 Cb 0.61 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 3.08 1.99 -0.44 4.33 -2.07 -1.24 -4.99 119.66 120.32 1k36 s GLN 27 Ca 0.48 -1.23 -0.27 0.00 -1.82 0.00 0.00 55.36 52.52 1k36 s GLN 27 Cb -0.31 0.59 0.03 0.00 -1.09 0.00 0.00 33.01 32.23 1k36 s GLN 27 CO 0.21 -0.93 1.04 1.21 -1.32 0.00 0.00 175.29 175.50 1k36 s ASN 28 N -3.04 6.62 -0.30 12.60 2.47 -1.26 -2.60 114.94 129.43 1k36 s ASN 28 Ca 0.14 0.43 -0.11 0.00 0.42 0.00 0.00 52.86 53.74 1k36 s ASN 28 Cb -0.05 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 1k36 s ASN 28 CO 0.09 -1.10 0.20 -0.47 -3.72 0.00 0.00 177.10 172.10 1k36 s TYR 29 N 4.03 3.22 -0.25 0.43 6.14 -0.88 -4.94 117.35 125.10 1k36 s TYR 29 Ca 0.43 0.02 0.02 0.00 0.64 0.00 0.00 57.07 58.18 1k36 s TYR 29 Cb -0.09 -2.40 0.05 0.00 0.42 0.00 0.00 41.96 39.94 1k36 s TYR 29 CO 0.27 -0.22 -0.12 0.00 0.64 0.00 0.00 175.55 176.12 1k36 s ARG 31 N 1.14 4.12 0.83 0.00 6.06 -0.93 -4.88 118.95 125.30 1k36 s ARG 31 Ca -0.07 1.10 -0.12 0.00 -2.50 0.00 0.00 55.73 54.15 1k36 s ARG 31 Cb -0.19 -3.70 0.09 0.00 0.06 0.00 0.00 34.95 31.22 1k36 s ARG 31 CO -0.06 -0.77 1.18 0.00 -2.50 0.00 0.00 175.30 173.16 1k36 s GLU 33 N -5.56 3.93 -0.78 0.00 2.12 0.58 -4.83 118.70 114.16 1k36 s GLU 33 Ca 0.63 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 56.57 1k36 s GLU 33 Cb -0.11 -3.81 -0.16 0.00 0.26 0.00 0.00 34.13 30.30 1k36 s GLU 33 CO 0.50 -1.10 2.56 0.28 -0.54 0.00 0.00 175.26 176.96 1k36 n VAL 34 N 6.26 -0.02 0.00 3.70 0.31 -1.26 -1.95 118.33 125.37 1k36 n VAL 34 Ca 0.12 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1k36 n VAL 34 Cb 0.48 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 6.37 0.35 3.88 2.92 0.00 -1.26 -5.15 105.19 112.31 1k36 n GLY 35 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 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 2.81 -0.37 1.61 1.51 -0.82 -4.47 117.35 117.61 1k36 s TYR 36 Ca 0.00 0.74 0.06 0.00 -1.01 0.00 0.00 57.07 56.86 1k36 s TYR 36 Cb 0.00 -3.51 0.52 0.00 -0.11 0.00 0.00 41.96 38.86 1k36 s TYR 36 CO 0.00 -1.92 1.58 -2.37 -1.11 0.00 0.00 175.55 171.73 1k36 n THR 37 N -3.42 2.82 -3.43 -0.71 5.66 -1.17 -4.83 114.28 109.20 1k36 n THR 37 Ca 0.08 -2.86 -0.12 0.00 -3.05 0.00 0.00 64.05 58.10 1k36 n THR 37 Cb 0.61 -0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 68.79 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 -2.39 -0.61 -0.23 1.09 0.00 -1.26 -5.00 107.32 98.91 1k36 s GLY 38 Ca 0.50 0.55 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1k36 s GLY 38 CO 0.02 0.18 1.62 1.55 0.00 0.00 0.00 173.10 176.48 1k36 n VAL 39 N -0.35 2.24 -1.82 1.40 3.14 -1.26 -3.59 118.33 118.09 1k36 n VAL 39 Ca -0.16 -1.10 0.00 0.00 -2.96 0.00 0.00 64.34 60.11 1k36 n VAL 39 Cb 0.65 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 0.01 0.00 -1.69 1.45 0.63 -1.26 -4.97 116.66 110.83 1k36 n ARG 40 Ca 0.27 -0.76 -0.05 0.00 -0.92 0.00 0.00 57.85 56.38 1k36 n ARG 40 Cb 0.86 -0.43 0.00 0.00 0.45 0.00 0.00 32.46 33.35 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 0.53 0.00 -4.09 0.00 0.00 -1.26 -2.03 120.64 113.79 1k36 n GLU 42 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.83 1k36 n GLU 42 Cb 0.22 -0.20 -0.16 0.00 0.00 0.00 0.00 31.44 31.30 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 2.77 -0.50 4.31 -3.43 -1.26 -5.03 115.29 111.15 1k36 s HIS 43 Ca 0.00 -1.72 -0.29 0.00 -0.80 0.00 0.00 55.06 52.25 1k36 s HIS 43 Cb 0.00 -1.86 0.03 0.00 -1.43 0.00 0.00 32.58 29.32 1k36 s HIS 43 CO 0.00 -0.80 1.14 0.12 -2.00 0.00 0.00 174.74 173.20 1k36 s PHE 44 N 1.29 2.78 -0.27 0.38 5.36 -1.26 -3.06 117.98 123.20 1k36 s PHE 44 Ca 0.02 0.65 0.27 0.00 -0.96 0.00 0.00 56.93 56.91 1k36 s PHE 44 Cb -0.15 -4.44 1.12 0.00 -0.34 0.00 0.00 43.02 39.21 1k36 s PHE 44 CO -0.11 -1.32 1.82 0.35 -1.46 0.00 0.00 175.22 174.50 1k36 h PHE 45 N 9.28 0.00 -0.02 10.12 3.57 -1.88 -3.48 116.94 134.53 1k36 h PHE 45 Ca -0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1k36 h PHE 45 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1k36 h PHE 45 CO 0.98 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.34