#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1i s ARG 2 N 0.00 4.35 0.18 5.56 0.52 -1.26 -5.02 118.95 123.28 2k1i s ARG 2 Ca 0.00 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.11 2k1i s ARG 2 Cb 0.00 -2.40 -0.08 0.00 0.52 0.00 0.00 34.95 32.99 2k1i s ARG 2 CO 0.00 0.07 1.17 0.95 0.02 0.00 0.00 175.30 177.51 2k1i s THR 3 N -1.97 3.66 0.19 0.02 -4.23 -1.26 -5.03 115.64 107.02 2k1i s THR 3 Ca 0.58 1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 62.33 2k1i s THR 3 Cb -0.13 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 69.84 2k1i s THR 3 CO 0.17 0.22 0.47 0.00 -0.54 0.00 0.00 174.62 174.94 2k1i s HIS 5 N -3.90 0.53 -0.22 0.00 2.46 -0.45 -5.01 115.29 108.71 2k1i s HIS 5 Ca 0.11 -0.86 0.02 0.00 0.47 0.00 0.00 55.06 54.80 2k1i s HIS 5 Cb -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 32.58 32.50 2k1i s HIS 5 CO -0.02 -0.89 -0.13 0.00 -2.47 0.00 0.00 174.74 171.24 2k1i s ARG 7 N 1.24 0.58 0.36 0.00 1.70 -0.59 -4.76 118.95 117.49 2k1i s ARG 7 Ca -0.04 0.24 0.03 0.00 -0.47 0.00 0.00 55.73 55.50 2k1i s ARG 7 Cb -0.17 0.27 0.69 0.00 -0.57 0.00 0.00 34.95 35.17 2k1i s ARG 7 CO -0.08 -0.12 2.02 0.66 -1.08 0.00 0.00 175.30 176.69 2k1i h SER 8 N 4.70 0.67 -3.69 -2.89 4.64 -1.85 -0.57 113.55 114.56 2k1i h SER 8 Ca -0.28 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.36 2k1i h SER 8 Cb 1.18 -0.17 -0.37 0.00 -0.31 0.00 0.00 62.40 62.73 2k1i h SER 8 CO 0.32 0.48 -0.81 -0.60 -0.87 0.00 0.00 176.83 175.35 2k1i s ARG 9 N -5.68 2.35 -0.24 4.77 3.52 -1.26 -4.71 118.95 117.71 2k1i s ARG 9 Ca -0.10 -1.22 -0.10 0.00 -0.13 0.00 0.00 55.73 54.18 2k1i s ARG 9 Cb 0.18 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 2k1i s ARG 9 CO 0.76 -0.50 0.14 0.00 -0.81 0.00 0.00 175.30 174.89 2k1i n LEU 11 N 4.37 0.00 -0.22 0.00 4.32 -1.26 -4.89 117.00 119.32 2k1i n LEU 11 Ca -0.15 -0.83 -0.05 0.00 -0.02 0.00 0.00 56.01 54.95 2k1i n LEU 11 Cb 0.52 -0.65 0.10 0.00 -1.62 0.00 0.00 43.42 41.77 2k1i n LEU 11 CO 0.34 -1.47 0.98 0.03 -1.22 0.00 0.00 177.39 176.06 2k1i h ARG 12 N 0.00 1.05 -0.66 3.23 3.08 -2.02 -2.70 114.38 116.37 2k1i h ARG 12 Ca -0.27 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 59.59 2k1i h ARG 12 Cb 0.79 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2k1i h ARG 12 CO 0.18 0.91 0.44 -0.09 -1.07 0.00 0.00 179.97 180.35 2k1i h ARG 13 N 1.01 0.76 -4.53 0.04 2.43 -1.95 -3.37 114.38 108.77 2k1i h ARG 13 Ca 0.22 -0.05 -0.71 0.00 -0.81 0.00 0.00 59.98 58.63 2k1i h ARG 13 Cb 0.31 -0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 29.45 2k1i h ARG 13 CO -0.00 0.50 -0.48 -1.21 -1.51 0.00 0.00 179.97 177.27 2k1i s GLU 14 N -5.68 2.82 0.30 0.20 8.01 -1.02 -4.54 118.70 118.79 2k1i s GLU 14 Ca -0.10 -1.15 -0.27 0.00 0.01 0.00 0.00 54.97 53.46 2k1i s GLU 14 Cb 0.18 -3.82 -0.10 0.00 -4.31 0.00 0.00 34.13 26.09 2k1i s GLU 14 CO 0.77 -0.78 0.95 -1.12 0.01 0.00 0.00 175.26 175.09 2k1i s SER 15 N 1.74 7.41 -0.25 -0.19 0.01 0.13 -4.16 113.70 118.40 2k1i s SER 15 Ca 0.03 1.89 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 2k1i s SER 15 Cb -0.20 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 2k1i s SER 15 CO 0.07 -0.01 1.42 0.21 0.41 0.00 0.00 173.24 175.33 2k1i s ASN 16 N -1.46 6.60 -0.23 2.44 3.84 -1.26 -0.83 114.94 124.04 2k1i s ASN 16 Ca 0.47 1.43 -0.16 0.00 0.21 0.00 0.00 52.86 54.81 2k1i s ASN 16 Cb -0.21 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 37.86 2k1i s ASN 16 CO 0.27 -1.10 -0.35 -1.54 -2.79 0.00 0.00 177.10 171.59 2k1i n SER 17 N 7.79 1.95 0.00 -4.21 3.41 0.85 -4.94 113.62 118.47 2k1i n SER 17 Ca 0.16 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2k1i n SER 17 Cb 0.46 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2k1i n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k1i n GLY 18 N 1.35 3.97 3.06 5.00 0.00 0.60 -4.99 105.19 114.18 2k1i n GLY 18 Ca -0.36 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 2k1i n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1i s SER 19 N 1.69 0.93 0.09 1.61 0.15 -1.26 0.26 113.70 117.16 2k1i s SER 19 Ca 0.00 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.18 2k1i s SER 19 Cb 0.00 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2k1i s SER 19 CO 0.00 -0.15 -0.08 0.00 1.20 0.00 0.00 173.24 174.21 2k1i s ASN 21 N -2.49 3.85 -0.06 0.00 4.22 -1.26 -1.32 114.94 117.88 2k1i s ASN 21 Ca 0.05 -1.08 0.02 0.00 -2.14 0.00 0.00 52.86 49.71 2k1i s ASN 21 Cb -0.01 -1.47 0.02 0.00 1.28 0.00 0.00 41.25 41.06 2k1i s ASN 21 CO -0.02 -0.12 -0.10 -0.63 -2.04 0.00 0.00 177.10 174.19 2k1i s ILE 22 N 1.21 0.95 -1.14 0.54 1.01 -0.91 -4.77 121.20 118.09 2k1i s ILE 22 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 2k1i s ILE 22 Cb -0.17 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.43 2k1i s ILE 22 CO -0.08 0.32 0.20 0.59 0.00 0.00 0.00 174.94 175.97 2k1i n ASN 23 N 3.91 -3.94 0.00 3.58 5.03 -1.26 -0.49 115.26 122.09 2k1i n ASN 23 Ca -0.23 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.20 2k1i n ASN 23 Cb 0.51 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 35.96 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 -0.97 2.72 3.76 7.41 0.00 -1.26 -4.98 105.19 111.86 2k1i n GLY 24 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.04 4.44 -0.35 1.61 0.52 0.36 -4.98 118.95 120.52 2k1i s ARG 25 Ca 0.00 2.05 -0.21 0.00 -0.52 0.00 0.00 55.73 57.05 2k1i s ARG 25 Cb 0.00 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2k1i s ARG 25 CO 0.00 -0.11 0.68 0.42 0.02 0.00 0.00 175.30 176.31 2k1i s ILE 26 N -0.69 4.86 0.10 1.52 -1.09 -1.26 -2.14 121.20 122.49 2k1i s ILE 26 Ca 0.51 0.72 0.08 0.00 -2.23 0.00 0.00 60.65 59.73 2k1i s ILE 26 Cb -0.37 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 2k1i s ILE 26 CO 0.45 -0.31 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.34 2k1i s PHE 27 N 2.80 2.65 -0.17 3.97 0.08 -0.44 -4.49 117.98 122.38 2k1i s PHE 27 Ca 0.26 -0.20 -0.18 0.00 0.12 0.00 0.00 56.93 56.93 2k1i s PHE 27 Cb -0.14 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 2k1i s PHE 27 CO 0.15 0.39 0.48 -1.12 -0.10 0.00 0.00 175.22 175.02 2k1i s SER 28 N -2.06 6.59 -0.55 1.36 0.01 -0.22 -0.22 113.70 118.60 2k1i s SER 28 Ca 0.19 0.70 -0.28 0.00 1.31 0.00 0.00 55.95 57.87 2k1i s SER 28 Cb -0.11 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.87 2k1i s SER 28 CO 0.11 -0.09 1.15 -0.22 0.41 0.00 0.00 173.24 174.60 2k1i s LEU 29 N 1.17 3.57 0.07 2.44 2.96 0.14 -1.54 118.68 127.50 2k1i s LEU 29 Ca 0.24 0.15 0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2k1i s LEU 29 Cb -0.15 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 2k1i s LEU 29 CO 0.09 -1.39 -0.23 0.00 -1.32 0.00 0.00 176.35 173.51