#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 -0.12 0.41 4.52 0.01 -1.26 -4.92 113.70 112.33 1k36 s SER 2 Ca 0.00 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.17 1k36 s SER 2 Cb 0.00 0.78 -0.11 0.00 0.21 0.00 0.00 66.02 66.90 1k36 s SER 2 CO 0.00 -1.50 0.96 -0.51 0.41 0.00 0.00 173.24 172.60 1k36 s ILE 3 N -3.09 4.30 0.00 1.44 2.07 -1.26 -4.31 121.20 120.36 1k36 s ILE 3 Ca 0.13 1.54 0.00 0.00 -1.41 0.00 0.00 60.65 60.91 1k36 s ILE 3 Cb -0.05 -3.68 0.00 0.00 0.13 0.00 0.00 42.46 38.85 1k36 s ILE 3 CO 0.09 -0.21 0.00 1.07 -1.91 0.00 0.00 174.94 173.98 1k36 n THR 4 N -0.38 0.00 -4.48 4.00 5.66 -1.09 -4.91 114.28 113.08 1k36 n THR 4 Ca 0.06 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 1k36 n THR 4 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1k36 n THR 4 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1k36 s LYS 5 N 1.99 2.16 -0.00 1.09 1.02 -1.26 -2.10 119.74 122.63 1k36 s LYS 5 Ca 0.00 -2.17 0.07 0.00 0.02 0.00 0.00 55.97 53.89 1k36 s LYS 5 Cb 0.00 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.50 1k36 s LYS 5 CO 0.00 -0.29 0.28 0.00 -0.92 0.00 0.00 175.35 174.43 1k36 n SER 7 N -1.23 -0.12 0.12 0.00 7.64 -1.26 -4.09 113.62 114.68 1k36 n SER 7 Ca 0.01 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 1k36 n SER 7 Cb 0.12 -0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1k36 n SER 7 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1k36 h SER 8 N -0.01 0.81 -0.35 6.43 0.87 -2.00 -3.31 113.55 115.99 1k36 h SER 8 Ca 0.00 -0.80 -0.25 0.00 -1.23 0.00 0.00 61.79 59.50 1k36 h SER 8 Cb 0.01 -0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 61.62 1k36 h SER 8 CO 0.00 1.62 0.03 -0.90 -0.53 0.00 0.00 176.83 177.05 1k36 n ASP 9 N -3.73 5.79 -0.76 6.23 5.75 -1.26 -3.59 116.55 124.98 1k36 n ASP 9 Ca -0.14 -2.75 -0.02 0.00 -0.01 0.00 0.00 54.79 51.87 1k36 n ASP 9 Cb 1.04 -1.25 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1k36 n MET 10 N 1.50 0.00 0.00 0.11 1.56 -1.25 -5.12 117.12 113.92 1k36 n MET 10 Ca 0.33 -0.66 0.00 0.00 -0.27 0.00 0.00 57.70 57.10 1k36 n MET 10 Cb 0.68 0.09 0.00 0.00 2.15 0.00 0.00 33.22 36.14 1k36 n MET 10 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1k36 n ASN 11 N 0.05 1.55 0.00 6.12 0.23 -1.24 -4.88 115.26 117.09 1k36 n ASN 11 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1k36 n ASN 11 Cb 0.66 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k36 n GLY 12 N 5.00 0.98 0.88 4.83 0.00 -1.26 -5.02 105.19 110.59 1k36 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.08 -4.22 1.61 9.36 -1.26 -5.11 117.16 116.46 1k36 n TYR 13 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 1k36 n TYR 13 Cb 0.00 0.22 -0.11 0.00 -0.63 0.00 0.00 39.34 38.82 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 3.32 2.46 -4.01 0.00 4.77 -1.20 -4.62 117.00 117.71 1k36 n LEU 15 Ca -0.17 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1k36 n LEU 15 Cb 0.53 -1.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1k36 n LEU 15 CO 0.33 0.72 0.25 1.41 -1.33 0.00 0.00 177.39 178.77 1k36 n HIS 16 N -3.72 3.88 -3.07 -1.77 8.25 -1.25 -5.01 115.22 112.53 1k36 n HIS 16 Ca -0.33 -4.15 0.00 0.00 -0.26 0.00 0.00 57.72 52.98 1k36 n HIS 16 Cb 0.96 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1k36 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k36 n GLY 17 N 2.09 -1.03 3.15 -1.41 0.00 -1.26 -1.40 105.19 105.33 1k36 n GLY 17 Ca 0.22 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.15 0.79 0.06 1.61 -0.21 -1.01 -4.98 119.66 115.78 1k36 s GLN 18 Ca 0.00 -0.89 -0.07 0.00 0.02 0.00 0.00 55.36 54.42 1k36 s GLN 18 Cb 0.00 -0.77 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 1k36 s GLN 18 CO 0.00 0.17 0.34 0.00 -2.12 0.00 0.00 175.29 173.68 1k36 n ILE 20 N 0.80 0.00 -4.29 0.00 -5.35 -0.73 -2.81 119.36 106.99 1k36 n ILE 20 Ca -0.08 -0.42 -0.18 0.00 -0.27 0.00 0.00 62.75 61.80 1k36 n ILE 20 Cb 0.52 0.34 -0.13 0.00 -1.74 0.00 0.00 39.64 38.63 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 -5.91 1.05 -0.12 4.28 6.14 -0.89 -2.25 117.35 119.64 1k36 s TYR 21 Ca 0.07 -0.35 -0.05 0.00 0.64 0.00 0.00 57.07 57.38 1k36 s TYR 21 Cb -0.01 -0.63 -0.04 0.00 0.42 0.00 0.00 41.96 41.70 1k36 s TYR 21 CO 0.05 0.01 0.07 -0.51 0.64 0.00 0.00 175.55 175.81 1k36 s LEU 22 N -1.10 3.93 -0.00 6.97 2.01 -1.08 -2.67 118.68 126.74 1k36 s LEU 22 Ca -0.00 0.25 0.15 0.00 0.01 0.00 0.00 54.13 54.54 1k36 s LEU 22 Cb -0.08 -1.94 -0.19 0.00 0.01 0.00 0.00 46.19 43.99 1k36 s LEU 22 CO 0.01 0.34 0.69 0.55 1.01 0.00 0.00 176.35 178.96 1k36 n VAL 23 N 2.39 1.35 0.39 -1.59 3.14 -1.26 -2.39 118.33 120.35 1k36 n VAL 23 Ca -0.19 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.58 1k36 n VAL 23 Cb 0.54 -0.82 0.35 0.00 -1.06 0.00 0.00 33.84 32.84 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 -1.55 6.55 3.32 -1.95 -3.34 116.42 119.46 1k36 h ASP 24 Ca -0.24 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.36 1k36 h ASP 24 Cb 1.79 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 41.01 1k36 h ASP 24 CO 0.06 0.00 -1.00 0.23 -1.72 0.00 0.00 179.24 176.80 1k36 n MET 25 N -2.73 0.87 -0.61 3.56 2.81 -1.25 -5.06 117.12 114.71 1k36 n MET 25 Ca 0.04 -2.98 -0.06 0.00 -1.81 0.00 0.00 57.70 52.88 1k36 n MET 25 Cb 0.44 -1.43 -0.07 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.81 -0.78 -2.09 7.83 3.41 -1.01 -4.59 113.62 117.20 1k36 n SER 26 Ca 0.20 -0.41 -0.05 0.00 -0.26 0.00 0.00 58.87 58.35 1k36 n SER 26 Cb 0.62 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1k36 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k36 n GLN 27 N 2.38 0.62 -2.89 4.33 10.64 -1.23 -4.98 117.38 126.25 1k36 n GLN 27 Ca 0.20 -1.24 -0.36 0.00 -1.83 0.00 0.00 57.00 53.77 1k36 n GLN 27 Cb 0.13 1.56 -0.06 0.00 -0.86 0.00 0.00 30.24 31.01 1k36 n GLN 27 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1k36 s ASN 28 N -2.25 7.19 -0.19 2.61 3.84 -1.26 -2.65 114.94 122.23 1k36 s ASN 28 Ca 0.10 1.68 -0.05 0.00 0.21 0.00 0.00 52.86 54.80 1k36 s ASN 28 Cb -0.03 -2.52 0.07 0.00 -0.55 0.00 0.00 41.25 38.22 1k36 s ASN 28 CO 0.06 -0.08 0.12 -0.47 -2.79 0.00 0.00 177.10 173.94 1k36 s TYR 29 N -1.67 0.11 -0.35 0.43 6.14 -0.96 -4.84 117.35 116.21 1k36 s TYR 29 Ca 0.50 -0.28 -0.11 0.00 0.64 0.00 0.00 57.07 57.81 1k36 s TYR 29 Cb -0.17 -0.65 0.01 0.00 0.42 0.00 0.00 41.96 41.57 1k36 s TYR 29 CO 0.21 -0.57 0.20 0.00 0.64 0.00 0.00 175.55 176.03 1k36 s ARG 31 N 1.61 3.32 0.99 0.00 6.06 -0.88 -4.95 118.95 125.10 1k36 s ARG 31 Ca 0.04 -1.37 -0.17 0.00 -2.50 0.00 0.00 55.73 51.73 1k36 s ARG 31 Cb -0.18 -4.53 0.22 0.00 0.06 0.00 0.00 34.95 30.51 1k36 s ARG 31 CO 0.07 -1.73 1.33 0.00 -2.50 0.00 0.00 175.30 172.48 1k36 s GLU 33 N -5.91 4.59 0.49 0.00 2.12 -0.49 -4.90 118.70 114.59 1k36 s GLU 33 Ca 0.75 1.46 0.33 0.00 0.36 0.00 0.00 54.97 57.87 1k36 s GLU 33 Cb -0.03 -3.43 1.53 0.00 0.26 0.00 0.00 34.13 32.46 1k36 s GLU 33 CO 0.54 0.01 1.99 0.28 -0.54 0.00 0.00 175.26 177.53 1k36 h VAL 34 N 4.56 0.00 0.00 3.70 2.07 -1.94 -2.04 116.25 122.59 1k36 h VAL 34 Ca -0.42 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1k36 h VAL 34 Cb 1.22 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1k36 h VAL 34 CO 0.75 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1k36 n GLY 35 N -0.38 -0.76 3.95 2.17 0.00 -1.26 -4.72 105.19 104.19 1k36 n GLY 35 Ca -0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.71 2.99 -0.38 1.61 2.02 -0.77 -4.54 117.35 115.57 1k36 s TYR 36 Ca 0.10 0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.08 1k36 s TYR 36 Cb 0.08 -2.78 0.50 0.00 -0.40 0.00 0.00 41.96 39.36 1k36 s TYR 36 CO 0.20 -0.91 1.56 -2.37 -1.57 0.00 0.00 175.55 172.46 1k36 n THR 37 N -2.47 2.82 -3.45 -0.71 5.66 -1.17 -4.88 114.28 110.08 1k36 n THR 37 Ca 0.06 -3.04 -0.14 0.00 -3.05 0.00 0.00 64.05 57.89 1k36 n THR 37 Cb 0.59 -0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.53 -0.60 -0.19 1.09 0.00 -1.26 -5.01 107.32 98.82 1k36 s GLY 38 Ca 0.51 0.78 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 1k36 s GLY 38 CO 0.01 0.41 2.61 -0.62 0.00 0.00 0.00 173.10 175.52 1k36 n VAL 39 N 0.02 2.78 -2.00 1.40 0.31 -1.26 -3.50 118.33 116.07 1k36 n VAL 39 Ca -0.17 -1.66 -0.01 0.00 -0.01 0.00 0.00 64.34 62.49 1k36 n VAL 39 Cb 0.62 -1.61 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 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 1.30 0.00 -1.37 5.55 0.63 -1.26 -4.99 116.66 116.53 1k36 n ARG 40 Ca 0.31 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1k36 n ARG 40 Cb 0.64 0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.59 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 0.84 0.00 -4.08 0.00 2.13 -1.26 -3.23 120.64 115.04 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1k36 n GLU 42 Cb 0.15 -0.11 -0.16 0.00 0.27 0.00 0.00 31.44 31.59 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 2.53 -0.25 4.31 -3.43 -1.26 -5.09 115.29 111.09 1k36 s HIS 43 Ca 0.00 -1.48 -0.26 0.00 -0.80 0.00 0.00 55.06 52.52 1k36 s HIS 43 Cb 0.00 -1.78 0.00 0.00 -1.43 0.00 0.00 32.58 29.37 1k36 s HIS 43 CO 0.00 -0.75 0.92 0.12 -2.00 0.00 0.00 174.74 173.03 1k36 s PHE 44 N 1.37 3.29 -0.23 0.38 5.36 -1.26 -3.05 117.98 123.85 1k36 s PHE 44 Ca 0.05 1.22 0.21 0.00 -0.96 0.00 0.00 56.93 57.45 1k36 s PHE 44 Cb -0.13 -3.20 -0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1k36 s PHE 44 CO -0.12 -0.48 1.05 0.35 -1.46 0.00 0.00 175.22 174.56 1k36 h PHE 45 N 7.69 0.00 -0.02 10.12 3.57 -1.90 -3.48 116.94 132.93 1k36 h PHE 45 Ca -0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1k36 h PHE 45 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1k36 h PHE 45 CO 0.76 0.12 0.00 1.28 -2.23 0.00 0.00 178.31 178.24