#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 -0.46 0.19 4.52 0.01 -1.26 -5.09 113.70 111.61 1k36 s SER 2 Ca 0.00 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.20 1k36 s SER 2 Cb 0.00 0.52 0.02 0.00 0.21 0.00 0.00 66.02 66.77 1k36 s SER 2 CO 0.00 -0.80 0.47 -0.51 0.41 0.00 0.00 173.24 172.81 1k36 s ILE 3 N -2.90 0.04 0.20 1.44 2.07 -1.26 -3.15 121.20 117.63 1k36 s ILE 3 Ca -0.03 -0.94 -0.10 0.00 -1.41 0.00 0.00 60.65 58.17 1k36 s ILE 3 Cb -0.00 -1.66 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 1k36 s ILE 3 CO -0.05 -0.16 0.34 -0.89 -1.91 0.00 0.00 174.94 172.27 1k36 s THR 4 N -3.90 0.04 0.40 4.00 2.01 -0.98 -4.90 115.64 112.31 1k36 s THR 4 Ca 0.11 -1.42 0.08 0.00 0.31 0.00 0.00 61.69 60.77 1k36 s THR 4 Cb -0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1k36 s THR 4 CO -0.02 -0.16 0.26 -0.75 -0.69 0.00 0.00 174.62 173.26 1k36 s LYS 5 N -4.00 2.39 0.00 4.92 2.47 -1.26 0.32 119.74 124.58 1k36 s LYS 5 Ca 0.21 -1.65 0.00 0.00 -1.56 0.00 0.00 55.97 52.96 1k36 s LYS 5 Cb 0.02 -2.19 0.00 0.00 -1.46 0.00 0.00 37.83 34.20 1k36 s LYS 5 CO 0.04 -0.10 0.00 0.00 0.16 0.00 0.00 175.35 175.45 1k36 n SER 7 N -1.89 0.11 0.00 0.00 7.64 -1.26 -5.05 113.62 113.17 1k36 n SER 7 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1k36 n SER 7 Cb 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1k36 n SER 8 N -3.01 0.00 0.04 6.43 7.64 -1.26 -4.88 113.62 118.57 1k36 n SER 8 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1k36 n SER 8 Cb 0.00 0.30 0.20 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.32 0.15 -2.24 6.43 8.00 -1.26 -2.06 116.55 123.24 1k36 n ASP 9 Ca 0.00 0.56 -0.32 0.00 0.71 0.00 0.00 54.79 55.74 1k36 n ASP 9 Cb 0.00 -0.58 0.07 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.69 2.85 -0.59 -1.24 1.56 -1.26 -4.37 117.12 112.39 1k36 n MET 10 Ca 0.01 -3.46 0.02 0.00 -0.27 0.00 0.00 57.70 53.99 1k36 n MET 10 Cb 0.06 -2.28 0.02 0.00 2.15 0.00 0.00 33.22 33.17 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 -0.89 0.38 -4.17 6.12 6.94 -0.87 -4.61 115.26 118.17 1k36 n ASN 11 Ca 0.59 -2.14 -0.44 0.00 -0.02 0.00 0.00 54.58 52.57 1k36 n ASN 11 Cb 0.76 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k36 n GLY 12 N -0.09 4.69 2.18 4.83 0.00 -1.26 -4.52 105.19 111.01 1k36 n GLY 12 Ca 0.03 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 2.00 -4.47 -3.44 1.61 9.36 -1.26 -5.09 117.16 115.87 1k36 n TYR 13 Ca 0.25 1.43 -0.39 0.00 3.32 0.00 0.00 57.90 62.50 1k36 n TYR 13 Cb 0.36 3.61 -0.10 0.00 -0.63 0.00 0.00 39.34 42.59 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 8.60 0.86 -7.36 0.00 3.38 -1.31 -3.40 115.31 116.08 1k36 h LEU 15 Ca -0.32 -0.74 -0.64 0.00 0.09 0.00 0.00 57.88 56.28 1k36 h LEU 15 Cb 1.16 -0.26 -0.41 0.00 0.09 0.00 0.00 40.66 41.24 1k36 h LEU 15 CO 0.64 1.48 -0.62 -1.00 0.09 0.00 0.00 178.44 179.03 1k36 s HIS 16 N -3.33 3.21 -2.23 1.13 3.76 -1.07 -5.04 115.29 111.72 1k36 s HIS 16 Ca -0.10 -3.18 0.00 0.00 -0.15 0.00 0.00 55.06 51.62 1k36 s HIS 16 Cb 0.06 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.93 1k36 s HIS 16 CO 0.91 -0.73 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1k36 n GLY 17 N 3.03 -1.78 3.73 -2.22 0.00 -1.26 -1.27 105.19 105.42 1k36 n GLY 17 Ca 0.06 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.76 2.66 -0.07 1.61 -1.52 -0.39 -4.91 119.66 115.28 1k36 s GLN 18 Ca 0.00 -0.93 -0.17 0.00 -1.95 0.00 0.00 55.36 52.31 1k36 s GLN 18 Cb 0.00 -2.53 -0.05 0.00 -0.22 0.00 0.00 33.01 30.21 1k36 s GLN 18 CO 0.00 0.49 0.46 0.00 -0.25 0.00 0.00 175.29 176.00 1k36 s ILE 20 N -0.01 0.00 -0.12 0.00 -1.09 0.13 -4.06 121.20 116.06 1k36 s ILE 20 Ca 0.25 -1.86 -0.06 0.00 -2.23 0.00 0.00 60.65 56.75 1k36 s ILE 20 Cb -0.16 -2.55 0.05 0.00 -1.58 0.00 0.00 42.46 38.22 1k36 s ILE 20 CO 0.12 0.00 0.28 -0.47 -1.23 0.00 0.00 174.94 173.64 1k36 s TYR 21 N -3.34 -0.40 -0.06 3.97 6.14 0.15 -1.40 117.35 122.42 1k36 s TYR 21 Ca 0.37 0.91 -0.21 0.00 0.64 0.00 0.00 57.07 58.78 1k36 s TYR 21 Cb 0.02 0.09 -0.04 0.00 0.42 0.00 0.00 41.96 42.45 1k36 s TYR 21 CO 0.25 -0.27 0.61 -0.51 0.64 0.00 0.00 175.55 176.27 1k36 s LEU 22 N 1.36 4.34 0.11 6.97 2.01 -1.08 -2.31 118.68 130.09 1k36 s LEU 22 Ca -0.09 1.09 0.19 0.00 0.01 0.00 0.00 54.13 55.33 1k36 s LEU 22 Cb -0.10 -2.93 -0.09 0.00 0.01 0.00 0.00 46.19 43.08 1k36 s LEU 22 CO -0.10 -0.01 0.89 0.55 1.01 0.00 0.00 176.35 178.70 1k36 n VAL 23 N 3.37 0.91 0.76 -1.59 3.14 -1.19 -2.72 118.33 121.02 1k36 n VAL 23 Ca -0.05 -0.63 0.13 0.00 -2.96 0.00 0.00 64.34 60.84 1k36 n VAL 23 Cb 0.51 -0.54 0.50 0.00 -1.06 0.00 0.00 33.84 33.25 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1k36 n ASP 24 N -2.78 0.41 -2.95 6.55 -0.08 -1.26 -4.06 116.55 112.38 1k36 n ASP 24 Ca -0.06 0.55 -0.15 0.00 -1.51 0.00 0.00 54.79 53.62 1k36 n ASP 24 Cb 0.71 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1k36 n MET 25 N -1.89 0.78 -0.67 -0.67 2.81 -1.24 -5.07 117.12 111.17 1k36 n MET 25 Ca 0.06 -2.42 -0.09 0.00 -1.81 0.00 0.00 57.70 53.43 1k36 n MET 25 Cb 0.36 -1.35 -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 1.41 -0.68 -3.55 7.83 3.41 -1.10 -4.63 113.62 116.31 1k36 n SER 26 Ca 0.14 -0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.32 1k36 n SER 26 Cb 0.60 -0.24 -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 3.12 1.00 0.54 4.33 0.74 -1.23 -5.01 119.66 123.15 1k36 s GLN 27 Ca 0.57 0.38 -0.22 0.00 0.05 0.00 0.00 55.36 56.14 1k36 s GLN 27 Cb -0.37 0.47 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1k36 s GLN 27 CO 0.24 -0.28 1.36 -0.80 -0.55 0.00 0.00 175.29 175.27 1k36 s ASN 28 N -0.90 5.30 -0.26 6.67 0.01 -1.26 -2.63 114.94 121.86 1k36 s ASN 28 Ca -0.09 2.77 -0.03 0.00 -0.71 0.00 0.00 52.86 54.80 1k36 s ASN 28 Cb -0.01 -2.64 0.10 0.00 0.41 0.00 0.00 41.25 39.12 1k36 s ASN 28 CO 0.08 -1.55 0.18 -0.47 -1.51 0.00 0.00 177.10 173.83 1k36 s TYR 29 N -1.30 -0.00 -0.25 2.20 6.14 -0.49 -4.82 117.35 118.83 1k36 s TYR 29 Ca 0.71 -0.45 -0.06 0.00 0.64 0.00 0.00 57.07 57.91 1k36 s TYR 29 Cb -0.41 -0.67 -0.01 0.00 0.42 0.00 0.00 41.96 41.29 1k36 s TYR 29 CO 0.48 -0.78 0.03 0.00 0.64 0.00 0.00 175.55 175.92 1k36 s ARG 31 N 1.55 4.75 0.81 0.00 3.52 -0.65 -4.84 118.95 124.08 1k36 s ARG 31 Ca 0.05 1.53 -0.12 0.00 -0.13 0.00 0.00 55.73 57.06 1k36 s ARG 31 Cb -0.15 -3.31 0.08 0.00 -1.56 0.00 0.00 34.95 30.00 1k36 s ARG 31 CO 0.01 0.32 1.17 0.00 -0.81 0.00 0.00 175.30 175.98 1k36 s GLU 33 N -5.53 3.81 -0.81 0.00 2.12 -0.39 -4.78 118.70 113.12 1k36 s GLU 33 Ca 0.62 0.84 -0.13 0.00 0.36 0.00 0.00 54.97 56.66 1k36 s GLU 33 Cb -0.11 -3.88 -0.24 0.00 0.26 0.00 0.00 34.13 30.15 1k36 s GLU 33 CO 0.50 -1.26 1.87 0.28 -0.54 0.00 0.00 175.26 176.11 1k36 n VAL 34 N 6.57 0.00 0.00 3.70 0.31 -1.26 -1.17 118.33 126.47 1k36 n VAL 34 Ca 0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1k36 n VAL 34 Cb 0.48 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 4.69 0.41 3.90 2.92 0.00 -1.26 -5.14 105.19 110.70 1k36 n GLY 35 Ca 0.54 0.00 -0.28 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 2.99 -0.36 1.61 1.51 -0.32 -3.69 117.35 119.09 1k36 s TYR 36 Ca 0.00 0.73 0.08 0.00 -1.01 0.00 0.00 57.07 56.86 1k36 s TYR 36 Cb 0.00 -3.38 0.44 0.00 -0.11 0.00 0.00 41.96 38.92 1k36 s TYR 36 CO 0.00 -1.62 1.13 -2.37 -1.11 0.00 0.00 175.55 171.58 1k36 n THR 37 N -3.19 2.27 -3.46 -0.71 5.66 -1.17 -4.76 114.28 108.91 1k36 n THR 37 Ca 0.08 -4.41 -0.14 0.00 -3.05 0.00 0.00 64.05 56.53 1k36 n THR 37 Cb 0.60 -0.94 -0.04 0.00 -1.55 0.00 0.00 70.33 68.41 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 -3.55 -0.59 -0.12 1.09 0.00 -1.26 -5.00 107.32 97.88 1k36 s GLY 38 Ca 0.46 0.86 0.06 0.00 0.00 0.00 0.00 44.72 46.10 1k36 s GLY 38 CO -0.08 0.48 1.12 -0.62 0.00 0.00 0.00 173.10 174.00 1k36 n VAL 39 N 0.13 1.36 0.00 1.40 0.31 -1.26 -3.61 118.33 116.66 1k36 n VAL 39 Ca -0.17 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 1k36 n VAL 39 Cb 0.62 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 0.22 1.23 -2.32 5.55 0.63 -1.26 -4.97 116.66 115.74 1k36 n ARG 40 Ca 0.15 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1k36 n ARG 40 Cb 0.73 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.75 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 -1.38 0.43 -4.03 0.00 0.00 -1.26 -1.23 120.64 113.17 1k36 n GLU 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 1k36 n GLU 42 Cb 0.49 -0.47 -0.17 0.00 0.00 0.00 0.00 31.44 31.29 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 -0.92 2.01 -0.64 4.31 -3.43 -1.26 -4.99 115.29 110.37 1k36 s HIS 43 Ca 0.00 -1.09 -0.26 0.00 -0.80 0.00 0.00 55.06 52.90 1k36 s HIS 43 Cb 0.00 -1.50 0.04 0.00 -1.43 0.00 0.00 32.58 29.68 1k36 s HIS 43 CO 0.00 -0.62 1.13 0.12 -2.00 0.00 0.00 174.74 173.37 1k36 s PHE 44 N 1.49 2.55 0.42 0.38 5.36 -1.26 -3.02 117.98 123.90 1k36 s PHE 44 Ca 0.04 0.03 0.13 0.00 -0.96 0.00 0.00 56.93 56.17 1k36 s PHE 44 Cb -0.13 -4.43 0.90 0.00 -0.34 0.00 0.00 43.02 39.03 1k36 s PHE 44 CO -0.09 -1.71 1.94 0.27 -1.46 0.00 0.00 175.22 174.17 1k36 h PHE 45 N 9.66 0.04 -0.01 10.12 -5.15 -1.86 -3.48 116.94 126.26 1k36 h PHE 45 Ca -0.27 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 1k36 h PHE 45 Cb 1.06 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1k36 h PHE 45 CO 1.03 0.25 0.00 1.28 -2.00 0.00 0.00 178.31 178.87