#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 -0.79 -3.80 4.52 3.41 -1.26 -5.09 113.62 110.61 1k36 n SER 2 Ca 0.00 -2.22 -0.09 0.00 -0.26 0.00 0.00 58.87 56.29 1k36 n SER 2 Cb 0.00 0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.79 0.02 0.27 -1.33 2.07 -1.26 -2.47 121.20 117.70 1k36 s ILE 3 Ca 0.15 -0.92 -0.08 0.00 -1.41 0.00 0.00 60.65 58.39 1k36 s ILE 3 Cb 0.42 -1.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.24 1k36 s ILE 3 CO -0.10 -0.07 0.43 -0.89 -1.91 0.00 0.00 174.94 172.40 1k36 s THR 4 N -3.91 0.00 0.49 4.00 2.01 -0.85 -4.89 115.64 112.49 1k36 s THR 4 Ca 0.12 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 60.62 1k36 s THR 4 Cb -0.02 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1k36 s THR 4 CO 0.01 0.00 0.23 -0.54 -0.69 0.00 0.00 174.62 173.63 1k36 s LYS 5 N -3.77 2.23 0.50 4.92 3.01 -1.26 0.17 119.74 125.54 1k36 s LYS 5 Ca 0.27 -2.05 0.03 0.00 -1.01 0.00 0.00 55.97 53.21 1k36 s LYS 5 Cb 0.01 -1.92 -0.01 0.00 -1.01 0.00 0.00 37.83 34.89 1k36 s LYS 5 CO 0.12 -0.38 0.11 0.00 0.51 0.00 0.00 175.35 175.71 1k36 n SER 7 N -1.34 0.00 0.00 0.00 2.88 -1.26 -4.93 113.62 108.97 1k36 n SER 7 Ca -0.12 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1k36 n SER 7 Cb 0.66 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1k36 n SER 8 N 0.00 0.00 -0.16 -3.46 7.64 -1.26 -4.89 113.62 111.49 1k36 n SER 8 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k36 n SER 8 Cb 0.53 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 -2.44 0.34 0.11 6.43 9.92 -1.26 -3.57 116.55 126.08 1k36 n ASP 9 Ca 0.00 -2.00 -0.02 0.00 -0.53 0.00 0.00 54.79 52.24 1k36 n ASP 9 Cb 0.00 -0.15 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1k36 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k36 h MET 10 N 0.05 0.00 -1.48 -1.24 -0.00 -1.91 -3.29 114.93 107.07 1k36 h MET 10 Ca 0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 59.70 58.98 1k36 h MET 10 Cb 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 31.60 31.47 1k36 h MET 10 CO 0.00 0.73 0.91 0.27 -0.00 0.00 0.00 176.91 178.82 1k36 n ASN 11 N -3.34 7.53 0.00 -0.10 0.23 -1.23 -4.32 115.26 114.03 1k36 n ASN 11 Ca 0.01 -3.81 0.00 0.00 -0.53 0.00 0.00 54.58 50.25 1k36 n ASN 11 Cb 0.80 -1.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 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 -0.73 0.00 0.04 4.83 0.00 -1.24 -4.95 105.19 103.14 1k36 n GLY 12 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.98 0.28 -3.18 1.61 9.36 -1.26 -4.88 117.16 117.12 1k36 n TYR 13 Ca 0.00 0.12 -0.40 0.00 3.32 0.00 0.00 57.90 60.94 1k36 n TYR 13 Cb 0.27 -0.40 -0.07 0.00 -0.63 0.00 0.00 39.34 38.51 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 8.87 0.48 -7.47 0.00 3.38 -1.70 -3.43 115.31 115.44 1k36 h LEU 15 Ca -0.28 -0.92 -0.69 0.00 0.09 0.00 0.00 57.88 56.09 1k36 h LEU 15 Cb 1.13 -0.16 -0.36 0.00 0.09 0.00 0.00 40.66 41.36 1k36 h LEU 15 CO 0.74 1.78 -0.36 -1.00 0.09 0.00 0.00 178.44 179.69 1k36 s HIS 16 N -2.55 3.46 -1.54 1.13 3.76 -1.25 -5.01 115.29 113.29 1k36 s HIS 16 Ca -0.20 -2.87 0.00 0.00 -0.15 0.00 0.00 55.06 51.85 1k36 s HIS 16 Cb 0.06 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1k36 s HIS 16 CO 0.80 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1k36 n GLY 17 N 3.14 -1.17 3.34 -2.22 0.00 -1.26 -0.28 105.19 106.74 1k36 n GLY 17 Ca 0.11 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.62 2.78 0.37 1.61 -0.21 -0.60 -4.95 119.66 118.06 1k36 s GLN 18 Ca 0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 55.36 54.34 1k36 s GLN 18 Cb 0.00 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 1k36 s GLN 18 CO 0.00 0.38 0.95 0.00 -2.12 0.00 0.00 175.29 174.50 1k36 n ILE 20 N 0.03 0.00 -3.61 0.00 5.41 0.26 -4.35 119.36 117.10 1k36 n ILE 20 Ca 0.04 -1.07 -0.13 0.00 1.00 0.00 0.00 62.75 62.59 1k36 n ILE 20 Cb 0.52 0.75 -0.12 0.00 -0.71 0.00 0.00 39.64 40.08 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 -3.77 -0.51 0.00 1.39 6.14 0.13 -1.23 117.35 119.50 1k36 s TYR 21 Ca 0.17 0.97 -0.30 0.00 0.64 0.00 0.00 57.07 58.55 1k36 s TYR 21 Cb -0.02 -0.01 -0.03 0.00 0.42 0.00 0.00 41.96 42.32 1k36 s TYR 21 CO 0.13 -0.44 0.98 -0.51 0.64 0.00 0.00 175.55 176.35 1k36 s LEU 22 N 2.45 4.37 0.07 6.97 2.01 -1.05 -2.01 118.68 131.50 1k36 s LEU 22 Ca 0.03 1.67 0.16 0.00 0.01 0.00 0.00 54.13 56.00 1k36 s LEU 22 Cb -0.13 -3.57 -0.13 0.00 0.01 0.00 0.00 46.19 42.37 1k36 s LEU 22 CO -0.10 -0.26 0.86 1.62 1.01 0.00 0.00 176.35 179.48 1k36 h VAL 23 N 4.77 0.55 0.00 -1.59 3.04 -1.84 -2.59 116.25 118.59 1k36 h VAL 23 Ca -0.41 -2.07 0.00 0.00 -1.01 0.00 0.00 66.70 63.21 1k36 h VAL 23 Cb 1.22 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1k36 h VAL 23 CO 0.75 0.32 0.00 -0.67 -1.01 0.00 0.00 177.57 176.96 1k36 n ASP 24 N -2.93 0.63 -3.01 3.17 2.03 -1.26 -4.00 116.55 111.18 1k36 n ASP 24 Ca -0.09 0.57 -0.17 0.00 0.52 0.00 0.00 54.79 55.62 1k36 n ASP 24 Cb 0.85 -0.74 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1k36 n MET 25 N -2.10 0.82 -0.67 -0.67 2.81 -1.24 -5.06 117.12 111.00 1k36 n MET 25 Ca 0.05 -2.67 -0.09 0.00 -1.81 0.00 0.00 57.70 53.18 1k36 n MET 25 Cb 0.38 -1.35 -0.10 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.14 -0.70 -3.64 7.83 3.41 -0.98 -4.57 113.62 116.12 1k36 n SER 26 Ca 0.16 -0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.34 1k36 n SER 26 Cb 0.60 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.81 -0.31 4.33 0.74 -1.22 -4.99 119.66 122.14 1k36 s GLN 27 Ca 0.55 0.53 -0.28 0.00 0.05 0.00 0.00 55.36 56.21 1k36 s GLN 27 Cb -0.36 0.39 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 1k36 s GLN 27 CO 0.24 -0.17 2.11 1.21 -0.55 0.00 0.00 175.29 178.13 1k36 s ASN 28 N -0.36 5.42 -0.50 6.67 2.47 -1.26 -2.52 114.94 124.87 1k36 s ASN 28 Ca -0.05 1.53 -0.19 0.00 0.42 0.00 0.00 52.86 54.56 1k36 s ASN 28 Cb -0.03 -2.51 0.05 0.00 -1.45 0.00 0.00 41.25 37.31 1k36 s ASN 28 CO 0.04 -2.05 0.61 -0.47 -3.72 0.00 0.00 177.10 171.51 1k36 s TYR 29 N 8.52 3.06 -0.32 0.43 6.14 -0.36 -4.93 117.35 129.89 1k36 s TYR 29 Ca 0.93 -0.50 -0.04 0.00 0.64 0.00 0.00 57.07 58.09 1k36 s TYR 29 Cb -0.27 -3.48 0.04 0.00 0.42 0.00 0.00 41.96 38.68 1k36 s TYR 29 CO 0.33 -1.00 0.06 0.00 0.64 0.00 0.00 175.55 175.58 1k36 s ARG 31 N 1.34 3.38 0.85 0.00 6.06 -0.56 -4.89 118.95 125.14 1k36 s ARG 31 Ca -0.03 0.05 -0.13 0.00 -2.50 0.00 0.00 55.73 53.12 1k36 s ARG 31 Cb -0.20 -4.08 0.11 0.00 0.06 0.00 0.00 34.95 30.84 1k36 s ARG 31 CO 0.01 -1.87 1.21 0.00 -2.50 0.00 0.00 175.30 172.14 1k36 s GLU 33 N -5.62 4.45 0.31 0.00 2.12 0.62 -4.87 118.70 115.71 1k36 s GLU 33 Ca 0.65 1.44 0.24 0.00 0.36 0.00 0.00 54.97 57.66 1k36 s GLU 33 Cb -0.10 -3.52 1.12 0.00 0.26 0.00 0.00 34.13 31.89 1k36 s GLU 33 CO 0.50 -0.26 1.73 0.28 -0.54 0.00 0.00 175.26 176.97 1k36 h VAL 34 N 5.00 0.00 0.00 3.70 2.07 -1.93 -1.88 116.25 123.21 1k36 h VAL 34 Ca -0.34 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1k36 h VAL 34 Cb 1.17 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1k36 h VAL 34 CO 0.83 0.00 0.00 1.23 0.02 0.00 0.00 177.57 179.65 1k36 h GLY 35 N 1.34 0.00 -0.64 2.17 0.00 -1.96 -3.44 103.07 100.55 1k36 h GLY 35 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1k36 h GLY 35 CO 0.00 0.00 0.40 -0.19 0.00 0.00 0.00 176.54 176.75 1k36 s TYR 36 N -3.43 2.94 -0.36 5.60 2.02 -0.71 -4.88 117.35 118.54 1k36 s TYR 36 Ca 0.03 0.76 0.08 0.00 -0.37 0.00 0.00 57.07 57.57 1k36 s TYR 36 Cb 0.09 -3.48 0.70 0.00 -0.40 0.00 0.00 41.96 38.87 1k36 s TYR 36 CO 0.39 -1.79 1.82 -2.37 -1.57 0.00 0.00 175.55 172.02 1k36 n THR 37 N -3.33 2.99 -3.45 -0.71 5.66 -1.19 -4.94 114.28 109.31 1k36 n THR 37 Ca 0.08 -1.82 -0.12 0.00 -3.05 0.00 0.00 64.05 59.14 1k36 n THR 37 Cb 0.61 -0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.26 -0.58 -0.19 1.09 0.00 -1.26 -4.98 107.32 100.14 1k36 s GLY 38 Ca 0.55 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.69 1k36 s GLY 38 CO 0.12 0.15 2.47 1.55 0.00 0.00 0.00 173.10 177.38 1k36 n VAL 39 N -0.38 2.69 -1.70 1.40 3.14 -1.26 -3.49 118.33 118.72 1k36 n VAL 39 Ca -0.16 -1.52 0.00 0.00 -2.96 0.00 0.00 64.34 59.70 1k36 n VAL 39 Cb 0.65 -1.56 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 1.21 0.00 -1.85 1.45 0.63 -1.26 -4.91 116.66 111.93 1k36 n ARG 40 Ca 0.27 -0.33 -0.03 0.00 -0.92 0.00 0.00 57.85 56.84 1k36 n ARG 40 Cb 0.62 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.29 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 0.74 0.00 -4.23 0.00 2.13 -1.26 -3.05 120.64 114.97 1k36 n GLU 42 Ca -0.01 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1k36 n GLU 42 Cb 0.25 -0.13 -0.17 0.00 0.27 0.00 0.00 31.44 31.67 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 1.65 -0.93 4.31 -3.43 -1.26 -5.07 115.29 109.56 1k36 s HIS 43 Ca 0.00 -0.77 -0.18 0.00 -0.80 0.00 0.00 55.06 53.31 1k36 s HIS 43 Cb 0.00 -1.26 0.14 0.00 -1.43 0.00 0.00 32.58 30.03 1k36 s HIS 43 CO 0.00 -0.45 1.10 0.12 -2.00 0.00 0.00 174.74 173.50 1k36 s PHE 44 N 1.23 3.20 0.42 0.38 5.36 -1.26 -3.15 117.98 124.16 1k36 s PHE 44 Ca -0.03 -1.47 0.36 0.00 -0.96 0.00 0.00 56.93 54.82 1k36 s PHE 44 Cb -0.14 -4.23 1.80 0.00 -0.34 0.00 0.00 43.02 40.11 1k36 s PHE 44 CO -0.04 -1.43 2.16 0.35 -1.46 0.00 0.00 175.22 174.80 1k36 h PHE 45 N 8.69 0.00 -0.00 10.12 3.04 -1.93 -3.48 116.94 133.37 1k36 h PHE 45 Ca 0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1k36 h PHE 45 Cb 1.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1k36 h PHE 45 CO 1.15 0.04 0.00 1.28 -2.02 0.00 0.00 178.31 178.76