#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1i n ARG 2 N 0.00 -2.47 0.17 5.56 1.74 -1.26 -4.34 116.66 116.06 2k1i n ARG 2 Ca 0.00 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2k1i n ARG 2 Cb 0.00 -4.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 2k1i n ARG 2 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2k1i n THR 3 N -2.34 0.00 -3.58 0.55 -2.24 -1.26 -4.98 114.28 100.43 2k1i n THR 3 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2k1i n THR 3 Cb 0.42 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 2k1i n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1i s HIS 5 N -1.22 0.57 -0.09 0.00 5.04 -0.85 -4.51 115.29 114.22 2k1i s HIS 5 Ca 0.00 -1.07 0.04 0.00 -1.54 0.00 0.00 55.06 52.50 2k1i s HIS 5 Cb -0.01 0.45 -0.00 0.00 0.04 0.00 0.00 32.58 33.06 2k1i s HIS 5 CO -0.00 -1.43 -0.23 0.00 -2.34 0.00 0.00 174.74 170.74 2k1i s ARG 7 N 0.19 0.88 0.22 0.00 1.70 -0.62 -4.92 118.95 116.39 2k1i s ARG 7 Ca -0.14 -0.39 -0.09 0.00 -0.47 0.00 0.00 55.73 54.65 2k1i s ARG 7 Cb -0.17 0.39 0.21 0.00 -0.57 0.00 0.00 34.95 34.82 2k1i s ARG 7 CO 0.07 -0.29 1.87 0.77 -1.08 0.00 0.00 175.30 176.64 2k1i h SER 8 N 3.12 0.85 -3.50 -2.89 0.02 -1.86 -0.75 113.55 108.54 2k1i h SER 8 Ca -0.31 -0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 2k1i h SER 8 Cb 1.20 -0.19 -0.33 0.00 0.14 0.00 0.00 62.40 63.22 2k1i h SER 8 CO 0.44 0.59 -0.83 -0.13 -1.14 0.00 0.00 176.83 175.76 2k1i s ARG 9 N -6.11 2.01 -0.21 3.45 0.52 -1.26 -4.58 118.95 112.76 2k1i s ARG 9 Ca -0.13 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 2k1i s ARG 9 Cb 0.16 -1.63 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 2k1i s ARG 9 CO 0.78 0.10 0.01 0.00 0.02 0.00 0.00 175.30 176.22 2k1i n LEU 11 N 4.43 0.00 -0.22 0.00 4.32 -1.26 -4.92 117.00 119.35 2k1i n LEU 11 Ca -0.17 -1.37 -0.02 0.00 -0.02 0.00 0.00 56.01 54.43 2k1i n LEU 11 Cb 0.52 -0.85 0.18 0.00 -1.62 0.00 0.00 43.42 41.64 2k1i n LEU 11 CO 0.31 -1.28 1.11 0.03 -1.22 0.00 0.00 177.39 176.34 2k1i h ARG 12 N 0.00 1.01 -0.39 3.23 3.08 -2.03 -2.25 114.38 117.04 2k1i h ARG 12 Ca -0.37 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.60 2k1i h ARG 12 Cb 1.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2k1i h ARG 12 CO 0.27 0.78 0.26 0.00 -1.07 0.00 0.00 179.97 180.21 2k1i h ARG 13 N 1.00 0.28 -4.85 0.04 3.08 -1.97 -3.38 114.38 108.59 2k1i h ARG 13 Ca 0.25 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.61 2k1i h ARG 13 Cb 0.10 -0.06 -0.25 0.00 0.08 0.00 0.00 29.97 29.84 2k1i h ARG 13 CO -0.03 0.19 -0.62 -1.21 -1.07 0.00 0.00 179.97 177.22 2k1i s GLU 14 N -5.29 3.27 0.14 0.04 8.01 -0.85 -4.63 118.70 119.40 2k1i s GLU 14 Ca -0.07 -0.73 -0.22 0.00 0.01 0.00 0.00 54.97 53.96 2k1i s GLU 14 Cb 0.18 -3.36 -0.08 0.00 -4.31 0.00 0.00 34.13 26.57 2k1i s GLU 14 CO 0.72 -0.36 0.69 -1.12 0.01 0.00 0.00 175.26 175.20 2k1i s SER 15 N 1.54 7.22 -0.33 -0.19 0.01 0.11 -4.26 113.70 117.81 2k1i s SER 15 Ca 0.04 1.47 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 2k1i s SER 15 Cb -0.16 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2k1i s SER 15 CO 0.03 0.21 1.18 0.54 0.41 0.00 0.00 173.24 175.60 2k1i s ASN 16 N -1.22 6.79 -0.02 2.44 2.20 -1.26 -0.83 114.94 123.04 2k1i s ASN 16 Ca 0.34 1.07 0.17 0.00 -0.94 0.00 0.00 52.86 53.50 2k1i s ASN 16 Cb -0.21 -2.54 -0.26 0.00 -2.00 0.00 0.00 41.25 36.24 2k1i s ASN 16 CO 0.23 -1.00 0.40 -1.20 -2.94 0.00 0.00 177.10 172.58 2k1i n SER 17 N 7.28 1.06 -0.19 3.54 7.64 -0.41 -4.97 113.62 127.58 2k1i n SER 17 Ca 0.13 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2k1i n SER 17 Cb 0.47 1.74 0.00 0.00 -1.01 0.00 0.00 64.21 65.41 2k1i n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1i n GLY 18 N 1.52 1.13 3.02 0.23 0.00 -0.65 -5.04 105.19 105.40 2k1i n GLY 18 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 1.42 0.75 0.02 1.61 0.15 -1.26 -0.95 113.70 115.44 2k1i s SER 19 Ca 0.00 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.32 2k1i s SER 19 Cb 0.00 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2k1i s SER 19 CO 0.00 -0.09 -0.11 0.00 1.20 0.00 0.00 173.24 174.24 2k1i s ASN 21 N -0.87 5.74 -0.09 0.00 3.84 -1.26 -0.25 114.94 122.04 2k1i s ASN 21 Ca 0.00 -1.24 0.03 0.00 0.21 0.00 0.00 52.86 51.86 2k1i s ASN 21 Cb -0.07 -2.02 0.01 0.00 -0.55 0.00 0.00 41.25 38.62 2k1i s ASN 21 CO 0.01 -0.48 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.04 2k1i s ILE 22 N 1.51 1.53 0.00 -5.21 1.01 -1.26 -4.69 121.20 114.10 2k1i s ILE 22 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2k1i s ILE 22 Cb -0.21 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2k1i s ILE 22 CO 0.05 0.44 0.00 -3.20 0.00 0.00 0.00 174.94 172.23 2k1i n ASN 23 N 3.84 -1.66 -0.01 3.58 5.15 -1.26 -0.95 115.26 123.95 2k1i n ASN 23 Ca -0.21 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.77 2k1i n ASN 23 Cb 0.52 -2.40 -0.00 0.00 -0.53 0.00 0.00 39.78 37.37 2k1i n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k1i n GLY 24 N -0.74 0.42 0.81 8.20 0.00 -1.26 -4.91 105.19 107.71 2k1i n GLY 24 Ca 0.00 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.36 2k1i n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1i n ARG 25 N -2.99 2.04 -2.86 1.61 5.12 -0.13 -4.99 116.66 114.46 2k1i n ARG 25 Ca -0.00 -1.59 -0.02 0.00 -1.93 0.00 0.00 57.85 54.32 2k1i n ARG 25 Cb 0.00 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 2k1i n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2k1i n ILE 26 N 0.79 -9.49 -3.93 0.55 2.08 -1.26 -4.96 119.36 103.13 2k1i n ILE 26 Ca 0.16 1.43 -0.35 0.00 0.56 0.00 0.00 62.75 64.55 2k1i n ILE 26 Cb 0.41 -5.98 -0.08 0.00 -0.75 0.00 0.00 39.64 33.24 2k1i n ILE 26 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2k1i s PHE 27 N -1.56 3.39 0.10 1.39 0.40 0.65 -4.72 117.98 117.62 2k1i s PHE 27 Ca 0.03 0.30 -0.24 0.00 -0.60 0.00 0.00 56.93 56.42 2k1i s PHE 27 Cb -0.01 -2.03 -0.07 0.00 0.51 0.00 0.00 43.02 41.43 2k1i s PHE 27 CO 0.61 0.41 0.73 -1.12 0.70 0.00 0.00 175.22 176.55 2k1i s SER 28 N -0.20 7.26 -0.42 1.36 0.01 -0.29 0.85 113.70 122.27 2k1i s SER 28 Ca 0.09 1.50 -0.19 0.00 1.31 0.00 0.00 55.95 58.66 2k1i s SER 28 Cb -0.12 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2k1i s SER 28 CO 0.01 0.14 0.54 -0.22 0.41 0.00 0.00 173.24 174.12 2k1i s LEU 29 N -0.70 4.62 0.01 2.44 2.96 -0.13 -1.58 118.68 126.30 2k1i s LEU 29 Ca 0.35 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2k1i s LEU 29 Cb -0.21 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 2k1i s LEU 29 CO 0.24 -0.65 -0.19 0.00 -1.32 0.00 0.00 176.35 174.42