#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 5.74 -4.86 4.52 3.41 -1.26 -5.04 113.62 116.13 1k36 n SER 2 Ca 0.00 -3.76 -0.31 0.00 -0.26 0.00 0.00 58.87 54.54 1k36 n SER 2 Cb 0.00 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1k36 s ILE 3 N -4.78 4.66 0.00 -1.33 2.07 -1.26 -4.36 121.20 116.19 1k36 s ILE 3 Ca 0.54 0.94 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 1k36 s ILE 3 Cb 0.44 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 39.25 1k36 s ILE 3 CO -0.02 -0.79 0.00 1.07 -1.91 0.00 0.00 174.94 173.29 1k36 n THR 4 N -1.89 0.00 -3.67 4.00 5.66 -1.11 -4.88 114.28 112.38 1k36 n THR 4 Ca 0.05 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.83 1k36 n THR 4 Cb 0.54 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.33 1k36 n THR 4 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1k36 n LYS 5 N 0.00 0.74 0.00 1.09 4.81 -1.26 -1.78 118.16 121.76 1k36 n LYS 5 Ca 0.00 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 1k36 n LYS 5 Cb 0.00 0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.26 1k36 n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k36 n SER 7 N 0.00 0.16 -4.89 0.00 3.41 -1.26 -5.09 113.62 105.96 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1k36 n SER 7 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1k36 n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k36 s SER 8 N 1.00 4.87 -1.34 4.04 0.15 -1.26 -3.58 113.70 117.58 1k36 s SER 8 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1k36 s SER 8 Cb 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1k36 s SER 8 CO 0.00 -1.69 0.00 0.47 1.20 0.00 0.00 173.24 173.22 1k36 n ASP 9 N -3.20 -3.65 -0.02 5.45 8.00 -1.26 -4.70 116.55 117.17 1k36 n ASP 9 Ca 0.08 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1k36 n ASP 9 Cb 0.59 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 10 N -1.70 0.83 -3.68 -1.24 1.56 -1.23 -4.89 117.12 106.76 1k36 n MET 10 Ca -0.13 -0.97 -0.37 0.00 -0.27 0.00 0.00 57.70 55.96 1k36 n MET 10 Cb 0.44 -1.01 -0.09 0.00 2.15 0.00 0.00 33.22 34.71 1k36 n MET 10 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1k36 s ASN 11 N -0.47 5.38 -0.28 6.12 3.84 -1.26 -4.84 114.94 123.43 1k36 s ASN 11 Ca 0.01 -2.83 0.20 0.00 0.21 0.00 0.00 52.86 50.45 1k36 s ASN 11 Cb 0.00 -1.89 0.48 0.00 -0.55 0.00 0.00 41.25 39.30 1k36 s ASN 11 CO 0.01 -0.39 1.21 0.61 -2.79 0.00 0.00 177.10 175.74 1k36 n GLY 12 N 3.54 1.83 2.08 1.21 0.00 -1.26 -4.94 105.19 107.64 1k36 n GLY 12 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.79 -2.91 -3.44 1.61 9.36 -1.26 -5.07 117.16 114.65 1k36 n TYR 13 Ca 0.01 0.73 -0.39 0.00 3.32 0.00 0.00 57.90 61.57 1k36 n TYR 13 Cb 0.82 1.68 -0.10 0.00 -0.63 0.00 0.00 39.34 41.11 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 8.58 0.45 -7.27 0.00 3.38 -1.69 -3.42 115.31 115.33 1k36 h LEU 15 Ca -0.32 -0.94 -0.67 0.00 0.09 0.00 0.00 57.88 56.03 1k36 h LEU 15 Cb 1.16 -0.15 -0.38 0.00 0.09 0.00 0.00 40.66 41.39 1k36 h LEU 15 CO 0.63 1.84 -0.31 -1.00 0.09 0.00 0.00 178.44 179.69 1k36 s HIS 16 N -2.56 3.70 -0.02 1.13 3.76 -1.24 -5.02 115.29 115.04 1k36 s HIS 16 Ca -0.21 -3.11 -0.11 0.00 -0.15 0.00 0.00 55.06 51.48 1k36 s HIS 16 Cb 0.06 -3.04 0.04 0.00 1.11 0.00 0.00 32.58 30.75 1k36 s HIS 16 CO 0.78 -0.69 0.50 0.41 -0.85 0.00 0.00 174.74 174.90 1k36 n GLY 17 N 2.38 0.38 3.86 -2.22 0.00 -1.26 -1.22 105.19 107.12 1k36 n GLY 17 Ca 0.18 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 3.32 -0.22 1.61 -0.21 -0.63 -4.91 119.66 116.62 1k36 s GLN 18 Ca 0.12 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 1k36 s GLN 18 Cb -0.00 -3.04 -0.05 0.00 1.00 0.00 0.00 33.01 30.92 1k36 s GLN 18 CO -0.01 0.69 0.23 0.00 -2.12 0.00 0.00 175.29 174.08 1k36 n ILE 20 N 4.24 0.00 -3.82 0.00 -0.00 -0.61 -3.94 119.36 115.23 1k36 n ILE 20 Ca -0.13 -1.31 -0.18 0.00 -0.00 0.00 0.00 62.75 61.13 1k36 n ILE 20 Cb 0.52 0.70 -0.17 0.00 -0.00 0.00 0.00 39.64 40.69 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 -3.13 0.27 -0.01 4.28 6.14 -0.73 -2.12 117.35 122.05 1k36 s TYR 21 Ca 0.21 0.06 -0.30 0.00 0.64 0.00 0.00 57.07 57.68 1k36 s TYR 21 Cb 0.01 -0.46 -0.03 0.00 0.42 0.00 0.00 41.96 41.89 1k36 s TYR 21 CO 0.15 -0.17 0.97 -0.51 0.64 0.00 0.00 175.55 176.63 1k36 s LEU 22 N 1.45 4.36 -0.00 6.97 2.01 -1.08 -2.77 118.68 129.63 1k36 s LEU 22 Ca -0.04 1.63 0.15 0.00 0.01 0.00 0.00 54.13 55.88 1k36 s LEU 22 Cb -0.13 -3.55 -0.19 0.00 0.01 0.00 0.00 46.19 42.33 1k36 s LEU 22 CO -0.03 -0.26 0.71 0.55 1.01 0.00 0.00 176.35 178.33 1k36 n VAL 23 N 3.92 1.41 0.67 -1.59 3.14 -1.26 -2.40 118.33 122.22 1k36 n VAL 23 Ca 0.06 -0.75 0.13 0.00 -2.96 0.00 0.00 64.34 60.82 1k36 n VAL 23 Cb 0.51 -0.88 0.46 0.00 -1.06 0.00 0.00 33.84 32.87 1k36 n VAL 23 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1k36 n ASP 24 N -2.96 0.59 -3.02 6.55 8.00 -1.26 -3.98 116.55 120.46 1k36 n ASP 24 Ca -0.14 0.57 -0.17 0.00 0.71 0.00 0.00 54.79 55.76 1k36 n ASP 24 Cb 0.96 -0.72 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1k36 n MET 25 N -2.06 0.83 -0.69 -1.24 2.81 -1.25 -5.06 117.12 110.45 1k36 n MET 25 Ca 0.05 -2.73 -0.10 0.00 -1.81 0.00 0.00 57.70 53.11 1k36 n MET 25 Cb 0.37 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.06 -0.69 -3.56 7.83 3.41 -1.01 -4.59 113.62 116.06 1k36 n SER 26 Ca 0.17 -0.26 -0.17 0.00 -0.26 0.00 0.00 58.87 58.35 1k36 n SER 26 Cb 0.61 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.23 0.97 -0.27 4.33 0.74 -1.23 -4.99 119.66 122.44 1k36 s GLN 27 Ca 0.60 0.39 -0.28 0.00 0.05 0.00 0.00 55.36 56.12 1k36 s GLN 27 Cb -0.39 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.15 1k36 s GLN 27 CO 0.26 -0.26 2.03 -0.80 -0.55 0.00 0.00 175.29 175.96 1k36 s ASN 28 N -0.83 5.65 -0.06 6.67 0.01 -1.26 -2.63 114.94 122.49 1k36 s ASN 28 Ca -0.09 1.61 -0.08 0.00 -0.71 0.00 0.00 52.86 53.59 1k36 s ASN 28 Cb -0.01 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 1k36 s ASN 28 CO 0.07 -1.85 0.23 -0.47 -1.51 0.00 0.00 177.10 173.57 1k36 s TYR 29 N 7.68 3.62 -0.14 2.20 6.14 -0.90 -4.95 117.35 131.00 1k36 s TYR 29 Ca 0.91 0.63 -0.04 0.00 0.64 0.00 0.00 57.07 59.21 1k36 s TYR 29 Cb -0.28 -2.02 0.06 0.00 0.42 0.00 0.00 41.96 40.14 1k36 s TYR 29 CO 0.34 0.69 0.13 0.00 0.64 0.00 0.00 175.55 177.35 1k36 s ARG 31 N 2.22 3.39 0.79 0.00 6.06 -0.87 -4.88 118.95 125.65 1k36 s ARG 31 Ca 0.04 0.00 -0.12 0.00 -2.50 0.00 0.00 55.73 53.15 1k36 s ARG 31 Cb -0.15 -4.07 0.07 0.00 0.06 0.00 0.00 34.95 30.86 1k36 s ARG 31 CO -0.08 -1.76 1.15 0.00 -2.50 0.00 0.00 175.30 172.11 1k36 s GLU 33 N -5.48 4.46 0.02 0.00 2.12 -0.36 -4.89 118.70 114.57 1k36 s GLU 33 Ca 0.61 1.48 0.11 0.00 0.36 0.00 0.00 54.97 57.53 1k36 s GLU 33 Cb -0.11 -3.50 0.47 0.00 0.26 0.00 0.00 34.13 31.25 1k36 s GLU 33 CO 0.50 -0.24 1.35 0.28 -0.54 0.00 0.00 175.26 176.61 1k36 n VAL 34 N 4.27 1.28 1.37 3.70 0.31 -1.26 -1.72 118.33 126.28 1k36 n VAL 34 Ca 0.08 0.33 0.14 0.00 -0.01 0.00 0.00 64.34 64.89 1k36 n VAL 34 Cb 0.49 -1.17 0.73 0.00 -0.91 0.00 0.00 33.84 32.99 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 -0.46 -1.27 3.95 2.92 0.00 -1.26 -4.83 105.19 104.25 1k36 n GLY 35 Ca 0.02 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.59 1.47 -0.29 1.61 2.02 -0.70 -4.78 117.35 114.09 1k36 s TYR 36 Ca 0.27 0.12 0.09 0.00 -0.37 0.00 0.00 57.07 57.19 1k36 s TYR 36 Cb 0.20 -3.87 0.52 0.00 -0.40 0.00 0.00 41.96 38.41 1k36 s TYR 36 CO 0.45 -2.48 1.49 -2.37 -1.57 0.00 0.00 175.55 171.07 1k36 n THR 37 N -3.56 2.56 -3.44 -0.71 5.66 -1.18 -4.89 114.28 108.72 1k36 n THR 37 Ca 0.16 -2.59 -0.13 0.00 -3.05 0.00 0.00 64.05 58.44 1k36 n THR 37 Cb 0.60 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 69.03 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 -0.17 1.09 0.00 -1.26 -5.00 107.32 98.99 1k36 s GLY 38 Ca 0.45 0.69 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 1k36 s GLY 38 CO 0.02 0.34 2.44 1.55 0.00 0.00 0.00 173.10 177.45 1k36 n VAL 39 N -0.09 2.65 -1.98 1.40 3.14 -1.26 -3.48 118.33 118.70 1k36 n VAL 39 Ca -0.17 -1.44 0.00 0.00 -2.96 0.00 0.00 64.34 59.76 1k36 n VAL 39 Cb 0.63 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 1.23 0.00 -1.77 1.45 0.63 -1.26 -4.95 116.66 111.99 1k36 n ARG 40 Ca 0.25 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1k36 n ARG 40 Cb 0.61 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.45 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 1.01 0.00 -4.63 0.00 2.13 -1.26 -2.85 120.64 115.03 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 0.21 -0.03 -0.16 0.00 0.27 0.00 0.00 31.44 31.72 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 2.70 -0.14 4.31 -3.43 -1.26 -5.10 115.29 111.37 1k36 s HIS 43 Ca 0.00 -1.26 -0.22 0.00 -0.80 0.00 0.00 55.06 52.78 1k36 s HIS 43 Cb 0.00 -1.83 -0.03 0.00 -1.43 0.00 0.00 32.58 29.28 1k36 s HIS 43 CO 0.00 -0.58 0.65 0.12 -2.00 0.00 0.00 174.74 172.94 1k36 s PHE 44 N 0.81 3.47 -0.10 0.38 5.36 -1.26 -3.11 117.98 123.54 1k36 s PHE 44 Ca -0.07 1.06 0.15 0.00 -0.96 0.00 0.00 56.93 57.12 1k36 s PHE 44 Cb -0.15 -2.79 -0.21 0.00 -0.34 0.00 0.00 43.02 39.53 1k36 s PHE 44 CO -0.01 -0.05 0.57 0.34 -1.46 0.00 0.00 175.22 174.61 1k36 n PHE 45 N 4.45 0.74 1.58 10.12 7.35 -1.26 -4.95 117.46 135.48 1k36 n PHE 45 Ca -0.02 0.26 0.14 0.00 -0.76 0.00 0.00 57.45 57.08 1k36 n PHE 45 Cb 0.50 -1.09 0.59 0.00 0.35 0.00 0.00 39.48 39.83 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28