#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1i h ARG 2 N 0.00 0.81 -5.63 5.56 2.43 -2.02 -3.41 114.38 112.12 2k1i h ARG 2 Ca 0.00 -0.08 -0.59 0.00 -0.81 0.00 0.00 59.98 58.50 2k1i h ARG 2 Cb 0.00 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.29 2k1i h ARG 2 CO 0.00 0.60 -0.07 0.99 -1.51 0.00 0.00 179.97 179.98 2k1i s THR 3 N -5.92 5.14 0.12 0.20 2.01 -1.26 -5.05 115.64 110.88 2k1i s THR 3 Ca -0.13 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.67 2k1i s THR 3 Cb 0.13 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.84 2k1i s THR 3 CO 0.77 0.24 0.42 0.00 -0.69 0.00 0.00 174.62 175.35 2k1i s HIS 5 N -3.75 0.44 -0.15 0.00 2.46 0.33 -4.99 115.29 109.63 2k1i s HIS 5 Ca 0.02 -0.78 0.02 0.00 0.47 0.00 0.00 55.06 54.79 2k1i s HIS 5 Cb 0.02 0.04 0.01 0.00 -0.13 0.00 0.00 32.58 32.51 2k1i s HIS 5 CO -0.12 -0.86 -0.20 0.00 -2.47 0.00 0.00 174.74 171.09 2k1i s ARG 7 N 0.84 0.92 0.23 0.00 1.70 -0.55 -4.84 118.95 117.24 2k1i s ARG 7 Ca -0.06 0.71 -0.08 0.00 -0.47 0.00 0.00 55.73 55.83 2k1i s ARG 7 Cb -0.15 0.44 0.20 0.00 -0.57 0.00 0.00 34.95 34.86 2k1i s ARG 7 CO -0.02 -0.19 1.89 0.77 -1.08 0.00 0.00 175.30 176.68 2k1i h SER 8 N 4.26 1.00 -3.12 -2.89 0.02 -1.85 -1.00 113.55 109.96 2k1i h SER 8 Ca -0.28 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 59.96 2k1i h SER 8 Cb 1.15 -0.25 -0.34 0.00 0.14 0.00 0.00 62.40 63.10 2k1i h SER 8 CO 0.18 0.74 -0.85 -0.13 -1.14 0.00 0.00 176.83 175.63 2k1i s ARG 9 N -6.08 3.03 -0.12 3.45 0.52 -1.26 -4.69 118.95 113.80 2k1i s ARG 9 Ca -0.13 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 2k1i s ARG 9 Cb 0.16 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2k1i s ARG 9 CO 0.80 -0.15 0.01 0.00 0.02 0.00 0.00 175.30 175.97 2k1i n LEU 11 N 2.66 0.00 -0.24 0.00 7.99 -1.26 -4.94 117.00 121.22 2k1i n LEU 11 Ca -0.18 -1.13 -0.06 0.00 -0.01 0.00 0.00 56.01 54.63 2k1i n LEU 11 Cb 0.53 -0.55 0.04 0.00 -0.11 0.00 0.00 43.42 43.34 2k1i n LEU 11 CO 0.31 -0.98 1.07 -0.09 -1.51 0.00 0.00 177.39 176.18 2k1i h ARG 12 N 0.00 0.95 -0.69 3.23 2.43 -2.03 -2.65 114.38 115.62 2k1i h ARG 12 Ca -0.25 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 2k1i h ARG 12 Cb 0.78 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2k1i h ARG 12 CO 0.21 0.74 0.46 -0.09 -1.51 0.00 0.00 179.97 179.77 2k1i h ARG 13 N 0.93 0.89 -5.12 0.20 2.43 -1.99 -3.40 114.38 108.33 2k1i h ARG 13 Ca 0.23 -0.05 -0.62 0.00 -0.81 0.00 0.00 59.98 58.73 2k1i h ARG 13 Cb 0.08 -0.20 -0.16 0.00 -0.42 0.00 0.00 29.97 29.27 2k1i h ARG 13 CO -0.03 0.59 -0.54 -1.21 -1.51 0.00 0.00 179.97 177.27 2k1i s GLU 14 N -5.78 3.98 0.01 0.20 8.01 -1.00 -4.84 118.70 119.28 2k1i s GLU 14 Ca -0.10 -0.32 -0.01 0.00 0.01 0.00 0.00 54.97 54.54 2k1i s GLU 14 Cb 0.18 -3.42 -0.04 0.00 -4.31 0.00 0.00 34.13 26.54 2k1i s GLU 14 CO 0.77 0.08 0.14 -1.54 0.01 0.00 0.00 175.26 174.72 2k1i s SER 15 N 0.95 6.02 0.10 -0.19 1.04 -0.63 -4.00 113.70 116.99 2k1i s SER 15 Ca 0.06 0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 2k1i s SER 15 Cb -0.13 -1.80 -0.07 0.00 0.10 0.00 0.00 66.02 64.11 2k1i s SER 15 CO 0.03 0.25 0.63 0.54 0.98 0.00 0.00 173.24 175.67 2k1i s ASN 16 N -1.97 7.15 -0.05 7.02 4.22 -1.26 -0.41 114.94 129.64 2k1i s ASN 16 Ca 0.27 1.36 0.02 0.00 -2.14 0.00 0.00 52.86 52.37 2k1i s ASN 16 Cb -0.12 -2.40 0.07 0.00 1.28 0.00 0.00 41.25 40.07 2k1i s ASN 16 CO 0.18 0.25 1.08 -0.24 -2.04 0.00 0.00 177.10 176.33 2k1i n SER 17 N 1.72 -1.02 0.00 3.54 2.88 -0.99 -4.92 113.62 114.83 2k1i n SER 17 Ca -0.09 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 2k1i n SER 17 Cb 0.50 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2k1i n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1i n GLY 18 N -0.21 -2.00 3.13 0.46 0.00 -1.13 -4.95 105.19 100.49 2k1i n GLY 18 Ca -0.26 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 2k1i n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1i s SER 19 N -1.24 0.35 0.04 1.61 1.04 -1.26 -0.99 113.70 113.24 2k1i s SER 19 Ca 0.00 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 55.46 2k1i s SER 19 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2k1i s SER 19 CO 0.00 -0.63 0.27 0.00 0.98 0.00 0.00 173.24 173.86 2k1i s ASN 21 N -1.99 5.60 -0.09 0.00 0.01 -1.26 0.14 114.94 117.35 2k1i s ASN 21 Ca -0.06 -1.45 0.02 0.00 -0.71 0.00 0.00 52.86 50.66 2k1i s ASN 21 Cb -0.01 -1.97 0.01 0.00 0.41 0.00 0.00 41.25 39.69 2k1i s ASN 21 CO -0.03 -0.51 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.28 2k1i s ILE 22 N 1.42 1.35 -1.44 0.60 1.01 -0.82 -4.75 121.20 118.57 2k1i s ILE 22 Ca 0.03 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2k1i s ILE 22 Cb -0.22 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.05 2k1i s ILE 22 CO 0.02 0.41 0.58 0.59 0.00 0.00 0.00 174.94 176.54 2k1i n ASN 23 N 3.96 -5.11 0.00 3.58 5.03 -1.26 -1.18 115.26 120.28 2k1i n ASN 23 Ca -0.21 -0.35 0.00 0.00 0.87 0.00 0.00 54.58 54.90 2k1i n ASN 23 Cb 0.52 -4.15 0.00 0.00 -1.02 0.00 0.00 39.78 35.12 2k1i n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k1i n GLY 24 N -1.40 2.07 3.80 7.41 0.00 -1.26 -4.95 105.19 110.85 2k1i n GLY 24 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2k1i n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1i s ARG 25 N 0.00 3.95 -0.41 1.61 0.52 -0.33 -4.99 118.95 119.29 2k1i s ARG 25 Ca 0.00 1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 56.35 2k1i s ARG 25 Cb 0.00 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.26 2k1i s ARG 25 CO 0.00 -0.31 0.81 0.42 0.02 0.00 0.00 175.30 176.25 2k1i s ILE 26 N -1.91 4.65 0.08 1.52 -1.09 -1.26 -1.95 121.20 121.23 2k1i s ILE 26 Ca 0.64 0.69 -0.02 0.00 -2.23 0.00 0.00 60.65 59.73 2k1i s ILE 26 Cb -0.17 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.37 2k1i s ILE 26 CO 0.21 -0.61 0.26 -0.36 -1.23 0.00 0.00 174.94 173.20 2k1i s PHE 27 N 3.29 3.51 -0.24 3.97 0.40 0.12 -4.62 117.98 124.42 2k1i s PHE 27 Ca 0.32 0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 56.87 2k1i s PHE 27 Cb -0.12 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2k1i s PHE 27 CO 0.21 0.55 0.30 0.45 0.70 0.00 0.00 175.22 177.43 2k1i s SER 28 N -2.41 6.25 -0.76 1.36 0.15 -0.38 0.37 113.70 118.29 2k1i s SER 28 Ca 0.36 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 57.02 2k1i s SER 28 Cb -0.13 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2k1i s SER 28 CO 0.26 -0.06 1.49 -0.22 1.20 0.00 0.00 173.24 175.91 2k1i s LEU 29 N 1.49 3.24 0.14 3.45 2.96 -0.16 -1.49 118.68 128.31 2k1i s LEU 29 Ca 0.13 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2k1i s LEU 29 Cb -0.15 -2.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.93 2k1i s LEU 29 CO 0.08 -1.99 0.38 0.00 -1.32 0.00 0.00 176.35 173.51