#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 3.49 0.03 4.52 0.01 -1.26 -5.09 113.70 115.40 1k36 s SER 2 Ca 0.00 -2.98 0.00 0.00 1.31 0.00 0.00 55.95 54.28 1k36 s SER 2 Cb 0.00 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1k36 s SER 2 CO 0.00 -0.21 -0.04 -0.51 0.41 0.00 0.00 173.24 172.89 1k36 s ILE 3 N -0.10 0.23 0.16 1.44 1.10 -1.26 -3.16 121.20 119.62 1k36 s ILE 3 Ca 0.22 -1.21 0.03 0.00 -0.51 0.00 0.00 60.65 59.18 1k36 s ILE 3 Cb -0.15 -0.70 -0.05 0.00 0.15 0.00 0.00 42.46 41.72 1k36 s ILE 3 CO -0.07 -0.63 -0.05 -0.89 -2.11 0.00 0.00 174.94 171.19 1k36 s THR 4 N -2.17 0.96 0.39 4.00 2.01 -1.04 -4.87 115.64 114.92 1k36 s THR 4 Ca -0.08 -2.02 0.07 0.00 0.31 0.00 0.00 61.69 59.98 1k36 s THR 4 Cb -0.05 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1k36 s THR 4 CO -0.03 -0.61 0.48 -0.54 -0.69 0.00 0.00 174.62 173.23 1k36 s LYS 5 N -3.82 2.84 0.00 4.92 3.01 -1.26 0.20 119.74 125.63 1k36 s LYS 5 Ca 0.20 -1.24 0.00 0.00 -1.01 0.00 0.00 55.97 53.92 1k36 s LYS 5 Cb 0.04 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 34.19 1k36 s LYS 5 CO 0.02 -0.13 0.00 0.00 0.51 0.00 0.00 175.35 175.76 1k36 n SER 7 N 0.00 0.00 -4.90 0.00 3.41 -1.26 -5.08 113.62 105.79 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 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 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 1.69 4.76 -0.83 4.04 0.15 -1.26 -3.65 113.70 118.61 1k36 s SER 8 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1k36 s SER 8 Cb 0.00 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1k36 s SER 8 CO 0.00 -1.74 0.00 -0.67 1.20 0.00 0.00 173.24 172.03 1k36 n ASP 9 N -3.21 -2.40 0.00 5.45 -0.08 -1.26 -4.67 116.55 110.38 1k36 n ASP 9 Ca 0.08 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1k36 n ASP 9 Cb 0.60 -2.32 0.00 0.00 2.34 0.00 0.00 41.12 41.74 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 -1.88 1.79 0.00 -0.67 1.56 -1.24 -5.04 117.12 111.65 1k36 n MET 10 Ca -0.09 -1.13 0.00 0.00 -0.27 0.00 0.00 57.70 56.22 1k36 n MET 10 Cb 0.36 -0.90 0.00 0.00 2.15 0.00 0.00 33.22 34.83 1k36 n MET 10 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1k36 n ASN 11 N -0.32 0.00 0.00 6.12 2.85 -1.26 -4.89 115.26 117.76 1k36 n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1k36 n ASN 11 Cb 0.26 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k36 n GLY 12 N 5.00 0.93 0.59 8.20 0.00 -1.26 -4.98 105.19 113.67 1k36 n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.31 0.00 -3.44 1.61 9.36 -1.26 -4.96 117.16 118.16 1k36 n TYR 13 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 1k36 n TYR 13 Cb 0.00 -0.44 -0.09 0.00 -0.63 0.00 0.00 39.34 38.17 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 8.41 0.46 -7.23 0.00 3.38 -1.63 -3.41 115.31 115.29 1k36 h LEU 15 Ca -0.33 -0.92 -0.67 0.00 0.09 0.00 0.00 57.88 56.05 1k36 h LEU 15 Cb 1.17 -0.15 -0.38 0.00 0.09 0.00 0.00 40.66 41.39 1k36 h LEU 15 CO 0.63 1.79 -0.28 -1.00 0.09 0.00 0.00 178.44 179.68 1k36 s HIS 16 N -2.55 3.78 0.00 1.13 3.76 -1.22 -5.02 115.29 115.18 1k36 s HIS 16 Ca -0.20 -3.15 0.00 0.00 -0.15 0.00 0.00 55.06 51.55 1k36 s HIS 16 Cb 0.06 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.71 1k36 s HIS 16 CO 0.79 -0.66 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1k36 n GLY 17 N 2.19 0.47 3.69 -2.22 0.00 -1.26 -0.49 105.19 107.57 1k36 n GLY 17 Ca 0.21 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.48 2.16 -0.21 1.61 -0.21 -0.60 -4.94 119.66 116.00 1k36 s GLN 18 Ca 0.00 -1.80 -0.08 0.00 0.02 0.00 0.00 55.36 53.50 1k36 s GLN 18 Cb 0.00 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1k36 s GLN 18 CO 0.00 0.01 0.08 0.00 -2.12 0.00 0.00 175.29 173.26 1k36 n ILE 20 N 4.05 0.00 -3.81 0.00 -0.00 -0.71 -3.68 119.36 115.22 1k36 n ILE 20 Ca -0.16 -0.72 -0.12 0.00 -0.00 0.00 0.00 62.75 61.74 1k36 n ILE 20 Cb 0.52 0.26 -0.11 0.00 -0.00 0.00 0.00 39.64 40.30 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 -1.99 -0.17 -0.13 1.39 6.14 0.54 -1.21 117.35 121.92 1k36 s TYR 21 Ca 0.06 0.39 -0.05 0.00 0.64 0.00 0.00 57.07 58.11 1k36 s TYR 21 Cb 0.00 0.05 -0.04 0.00 0.42 0.00 0.00 41.96 42.40 1k36 s TYR 21 CO 0.04 -0.17 0.06 -0.51 0.64 0.00 0.00 175.55 175.61 1k36 s LEU 22 N -0.31 3.86 0.00 6.97 2.01 -1.09 -2.50 118.68 127.61 1k36 s LEU 22 Ca -0.04 0.21 0.15 0.00 0.01 0.00 0.00 54.13 54.46 1k36 s LEU 22 Cb -0.03 -1.93 -0.18 0.00 0.01 0.00 0.00 46.19 44.06 1k36 s LEU 22 CO 0.01 0.32 0.71 0.55 1.01 0.00 0.00 176.35 178.95 1k36 n VAL 23 N 2.56 1.36 0.30 -1.59 3.14 -1.19 -2.57 118.33 120.34 1k36 n VAL 23 Ca -0.18 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.58 1k36 n VAL 23 Cb 0.54 -0.84 0.27 0.00 -1.06 0.00 0.00 33.84 32.74 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 -2.01 6.55 3.32 -1.94 -3.33 116.42 119.00 1k36 h ASP 24 Ca -0.23 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.30 1k36 h ASP 24 Cb 1.79 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.94 1k36 h ASP 24 CO 0.06 0.00 -1.14 0.23 -1.72 0.00 0.00 179.24 176.67 1k36 n MET 25 N -2.95 1.00 -0.64 3.56 2.81 -1.25 -5.05 117.12 114.60 1k36 n MET 25 Ca 0.04 -3.41 -0.09 0.00 -1.81 0.00 0.00 57.70 52.43 1k36 n MET 25 Cb 0.48 -1.57 -0.09 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.66 -0.67 -3.15 7.83 3.41 -1.06 -4.57 113.62 116.06 1k36 n SER 26 Ca 0.24 -0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1k36 n SER 26 Cb 0.60 -0.23 0.01 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 s GLN 27 N 2.98 2.13 -0.33 4.33 -2.07 -1.23 -4.99 119.66 120.47 1k36 s GLN 27 Ca 0.52 -1.34 -0.22 0.00 -1.82 0.00 0.00 55.36 52.50 1k36 s GLN 27 Cb -0.34 0.62 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1k36 s GLN 27 CO 0.23 -0.99 0.74 1.21 -1.32 0.00 0.00 175.29 175.15 1k36 s ASN 28 N -3.04 6.56 0.35 12.60 3.84 -1.26 -2.67 114.94 131.33 1k36 s ASN 28 Ca 0.15 0.45 -0.04 0.00 0.21 0.00 0.00 52.86 53.62 1k36 s ASN 28 Cb -0.05 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.22 1k36 s ASN 28 CO 0.11 -0.63 0.62 -0.47 -2.79 0.00 0.00 177.10 173.94 1k36 s TYR 29 N 2.91 3.50 -0.14 0.43 5.04 -0.35 -4.95 117.35 123.79 1k36 s TYR 29 Ca 0.30 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.54 1k36 s TYR 29 Cb -0.14 -2.13 0.06 0.00 0.35 0.00 0.00 41.96 40.10 1k36 s TYR 29 CO 0.14 0.04 0.11 0.00 -1.34 0.00 0.00 175.55 174.50 1k36 s ARG 31 N 2.19 3.82 0.83 0.00 6.06 -0.97 -4.93 118.95 125.94 1k36 s ARG 31 Ca 0.03 0.31 -0.12 0.00 -2.50 0.00 0.00 55.73 53.46 1k36 s ARG 31 Cb -0.15 -3.77 0.09 0.00 0.06 0.00 0.00 34.95 31.18 1k36 s ARG 31 CO -0.08 -0.72 1.17 0.00 -2.50 0.00 0.00 175.30 173.17 1k36 s GLU 33 N -5.53 3.92 -0.61 0.00 2.12 0.36 -4.84 118.70 114.13 1k36 s GLU 33 Ca 0.63 0.92 -0.33 0.00 0.36 0.00 0.00 54.97 56.54 1k36 s GLU 33 Cb -0.12 -3.82 -0.15 0.00 0.26 0.00 0.00 34.13 30.31 1k36 s GLU 33 CO 0.50 -1.10 2.40 0.28 -0.54 0.00 0.00 175.26 176.79 1k36 n VAL 34 N 6.27 0.04 0.00 3.70 0.31 -1.26 -1.93 118.33 125.46 1k36 n VAL 34 Ca 0.12 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1k36 n VAL 34 Cb 0.48 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 6.53 0.32 3.90 2.92 0.00 -1.26 -5.14 105.19 112.46 1k36 n GLY 35 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 1.94 -0.26 1.61 2.02 -0.81 -4.64 117.35 117.21 1k36 s TYR 36 Ca 0.00 0.46 0.08 0.00 -0.37 0.00 0.00 57.07 57.24 1k36 s TYR 36 Cb 0.00 -3.90 0.19 0.00 -0.40 0.00 0.00 41.96 37.84 1k36 s TYR 36 CO 0.00 -2.46 1.13 -2.37 -1.57 0.00 0.00 175.55 170.28 1k36 n THR 37 N -3.69 1.32 -4.33 -0.71 5.66 -1.16 -4.85 114.28 106.53 1k36 n THR 37 Ca 0.13 -1.36 -0.17 0.00 -3.05 0.00 0.00 64.05 59.60 1k36 n THR 37 Cb 0.60 0.27 -0.10 0.00 -1.55 0.00 0.00 70.33 69.54 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 -1.49 1.40 -0.19 1.09 0.00 -1.26 -5.00 107.32 101.87 1k36 s GLY 38 Ca 0.16 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1k36 s GLY 38 CO 0.05 -1.70 1.46 1.55 0.00 0.00 0.00 173.10 174.45 1k36 n VAL 39 N -0.36 1.97 -1.99 1.40 3.14 -1.26 -3.71 118.33 117.52 1k36 n VAL 39 Ca -0.08 -0.84 -0.07 0.00 -2.96 0.00 0.00 64.34 60.39 1k36 n VAL 39 Cb 0.61 -0.89 -0.07 0.00 -1.06 0.00 0.00 33.84 32.44 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 -0.02 0.00 -2.06 1.45 0.00 -1.26 -5.03 116.66 109.74 1k36 n ARG 40 Ca 0.23 -0.94 0.00 0.00 -0.00 0.00 0.00 57.85 57.14 1k36 n ARG 40 Cb 0.89 0.48 0.00 0.00 0.00 0.00 0.00 32.46 33.83 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 1.04 0.00 -4.87 0.00 0.00 -1.26 -2.40 120.64 113.15 1k36 n GLU 42 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1k36 n GLU 42 Cb 0.27 -0.15 -0.16 0.00 0.00 0.00 0.00 31.44 31.40 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 2.70 -0.08 4.31 -3.43 -1.26 -5.04 115.29 111.49 1k36 s HIS 43 Ca 0.00 -0.94 -0.21 0.00 -0.80 0.00 0.00 55.06 53.11 1k36 s HIS 43 Cb 0.00 -1.80 -0.04 0.00 -1.43 0.00 0.00 32.58 29.31 1k36 s HIS 43 CO 0.00 -0.38 0.61 0.12 -2.00 0.00 0.00 174.74 173.09 1k36 s PHE 44 N 0.50 3.57 -0.14 0.38 5.36 -1.26 -2.98 117.98 123.40 1k36 s PHE 44 Ca -0.12 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 56.99 1k36 s PHE 44 Cb -0.16 -2.70 -0.23 0.00 -0.34 0.00 0.00 43.02 39.58 1k36 s PHE 44 CO 0.05 0.14 0.26 0.34 -1.46 0.00 0.00 175.22 174.56 1k36 n PHE 45 N 3.64 0.79 1.98 10.12 7.35 -1.26 -4.92 117.46 135.16 1k36 n PHE 45 Ca -0.04 0.20 0.16 0.00 -0.76 0.00 0.00 57.45 57.01 1k36 n PHE 45 Cb 0.51 -1.11 0.94 0.00 0.35 0.00 0.00 39.48 40.17 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28