#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 1.45 -0.12 2.89 1.70 -1.26 -5.16 118.95 118.45 2k1i s ARG 2 Ca 0.00 -1.38 0.02 0.00 -0.47 0.00 0.00 55.73 53.90 2k1i s ARG 2 Cb 0.00 0.41 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2k1i s ARG 2 CO 0.00 -0.57 -0.20 0.99 -1.08 0.00 0.00 175.30 174.44 2k1i s THR 3 N -4.04 2.32 0.09 4.99 2.01 -1.26 -5.12 115.64 114.63 2k1i s THR 3 Ca 0.28 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 2k1i s THR 3 Cb 0.02 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.61 2k1i s THR 3 CO 0.10 0.54 0.24 0.00 -0.69 0.00 0.00 174.62 174.82 2k1i s HIS 5 N -3.66 0.50 -0.13 0.00 2.46 0.40 -5.01 115.29 109.85 2k1i s HIS 5 Ca 0.03 -0.84 0.02 0.00 0.47 0.00 0.00 55.06 54.74 2k1i s HIS 5 Cb 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 2k1i s HIS 5 CO -0.10 -0.80 -0.21 0.00 -2.47 0.00 0.00 174.74 171.15 2k1i s ARG 7 N 0.67 0.89 0.36 0.00 1.70 -0.56 -4.86 118.95 117.15 2k1i s ARG 7 Ca -0.10 0.33 0.04 0.00 -0.47 0.00 0.00 55.73 55.52 2k1i s ARG 7 Cb -0.16 0.42 0.68 0.00 -0.57 0.00 0.00 34.95 35.31 2k1i s ARG 7 CO 0.02 -0.23 1.98 0.66 -1.08 0.00 0.00 175.30 176.64 2k1i h SER 8 N 3.76 0.59 -3.62 -2.89 4.64 -1.85 -1.29 113.55 112.88 2k1i h SER 8 Ca -0.28 -0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.40 2k1i h SER 8 Cb 1.15 -0.15 -0.32 0.00 -0.31 0.00 0.00 62.40 62.77 2k1i h SER 8 CO 0.32 0.50 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.80 2k1i s ARG 9 N -5.43 2.18 -0.20 4.77 0.52 -1.26 -4.71 118.95 114.83 2k1i s ARG 9 Ca -0.09 -0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 2k1i s ARG 9 Cb 0.17 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.84 2k1i s ARG 9 CO 0.76 0.18 0.01 0.00 0.02 0.00 0.00 175.30 176.26 2k1i n LEU 11 N 4.22 0.00 -0.14 0.00 4.32 -1.26 -4.93 117.00 119.21 2k1i n LEU 11 Ca -0.17 -0.92 -0.06 0.00 -0.02 0.00 0.00 56.01 54.84 2k1i n LEU 11 Cb 0.52 -0.64 0.11 0.00 -1.62 0.00 0.00 43.42 41.80 2k1i n LEU 11 CO 0.32 -1.09 0.86 0.03 -1.22 0.00 0.00 177.39 176.28 2k1i h ARG 12 N 0.00 0.88 -0.50 3.23 3.08 -2.04 -2.81 114.38 116.22 2k1i h ARG 12 Ca -0.27 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.55 2k1i h ARG 12 Cb 0.74 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2k1i h ARG 12 CO 0.19 0.88 0.33 0.00 -1.07 0.00 0.00 179.97 180.31 2k1i h ARG 13 N 0.82 0.60 -6.27 0.04 3.08 -1.99 -3.43 114.38 107.24 2k1i h ARG 13 Ca 0.15 -0.04 -0.46 0.00 0.07 0.00 0.00 59.98 59.71 2k1i h ARG 13 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k1i h ARG 13 CO 0.02 0.40 -0.39 -1.21 -1.07 0.00 0.00 179.97 177.72 2k1i s GLU 14 N -5.55 3.06 0.01 0.04 8.01 -1.06 -4.80 118.70 118.41 2k1i s GLU 14 Ca -0.09 -1.04 0.03 0.00 0.01 0.00 0.00 54.97 53.88 2k1i s GLU 14 Cb 0.18 -2.74 -0.01 0.00 -4.31 0.00 0.00 34.13 27.25 2k1i s GLU 14 CO 0.74 0.14 -0.09 -1.12 0.01 0.00 0.00 175.26 174.95 2k1i s SER 15 N -4.09 1.00 0.20 -0.19 0.01 -0.06 -4.54 113.70 106.03 2k1i s SER 15 Ca 0.42 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 2k1i s SER 15 Cb -0.08 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 2k1i s SER 15 CO 0.29 0.03 1.37 0.54 0.41 0.00 0.00 173.24 175.89 2k1i s ASN 16 N -0.56 6.79 -0.46 2.44 4.22 -1.26 -1.21 114.94 124.91 2k1i s ASN 16 Ca 0.01 2.49 0.06 0.00 -2.14 0.00 0.00 52.86 53.28 2k1i s ASN 16 Cb -0.05 -2.61 0.19 0.00 1.28 0.00 0.00 41.25 40.06 2k1i s ASN 16 CO 0.00 -0.61 0.72 -0.94 -2.04 0.00 0.00 177.10 174.23 2k1i s SER 17 N 0.47 -1.38 0.00 3.54 1.04 0.54 -4.87 113.70 113.04 2k1i s SER 17 Ca 0.59 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2k1i s SER 17 Cb -0.39 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.52 2k1i s SER 17 CO 0.39 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2k1i n GLY 18 N 3.54 0.25 3.06 7.32 0.00 -1.24 -4.40 105.19 113.72 2k1i n GLY 18 Ca 0.14 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.11 1.11 0.09 1.61 0.15 -1.26 -0.74 113.70 113.53 2k1i s SER 19 Ca 0.00 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.31 2k1i s SER 19 Cb 0.00 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 2k1i s SER 19 CO 0.00 -0.03 -0.11 0.00 1.20 0.00 0.00 173.24 174.30 2k1i s ASN 21 N -2.18 5.06 -0.06 0.00 4.22 -1.26 0.23 114.94 120.95 2k1i s ASN 21 Ca 0.02 -1.34 0.03 0.00 -2.14 0.00 0.00 52.86 49.43 2k1i s ASN 21 Cb -0.05 -1.77 0.00 0.00 1.28 0.00 0.00 41.25 40.71 2k1i s ASN 21 CO 0.01 -0.32 -0.16 -0.63 -2.04 0.00 0.00 177.10 173.96 2k1i s ILE 22 N 1.28 1.38 -1.47 0.54 1.01 -1.00 -4.74 121.20 118.20 2k1i s ILE 22 Ca -0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 2k1i s ILE 22 Cb -0.20 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2k1i s ILE 22 CO -0.00 0.41 0.54 0.59 0.00 0.00 0.00 174.94 176.48 2k1i n ASN 23 N 3.51 -5.36 0.00 3.58 3.02 -1.26 -1.70 115.26 117.05 2k1i n ASN 23 Ca -0.20 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2k1i n ASN 23 Cb 0.52 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 2k1i n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k1i n GLY 24 N -1.39 1.92 3.78 7.41 0.00 -1.26 -4.95 105.19 110.70 2k1i n GLY 24 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 3.59 -0.52 1.61 0.52 -0.69 -4.96 118.95 118.50 2k1i s ARG 25 Ca 0.00 1.57 -0.26 0.00 -0.52 0.00 0.00 55.73 56.53 2k1i s ARG 25 Cb 0.00 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.37 2k1i s ARG 25 CO 0.00 -0.64 1.00 0.42 0.02 0.00 0.00 175.30 176.10 2k1i s ILE 26 N -1.77 4.33 0.05 1.52 -1.09 -1.26 -2.39 121.20 120.58 2k1i s ILE 26 Ca 0.69 0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 59.70 2k1i s ILE 26 Cb -0.23 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.06 2k1i s ILE 26 CO 0.27 -1.07 0.24 -0.36 -1.23 0.00 0.00 174.94 172.79 2k1i s PHE 27 N 4.13 3.53 -0.21 3.97 0.40 0.14 -4.61 117.98 125.31 2k1i s PHE 27 Ca 0.36 0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.97 2k1i s PHE 27 Cb -0.10 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 2k1i s PHE 27 CO 0.24 0.58 0.13 -1.12 0.70 0.00 0.00 175.22 175.75 2k1i s SER 28 N -2.24 6.14 -0.54 1.36 0.01 -0.49 0.47 113.70 118.42 2k1i s SER 28 Ca 0.33 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.50 2k1i s SER 28 Cb -0.13 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.03 2k1i s SER 28 CO 0.23 0.15 1.46 -0.22 0.41 0.00 0.00 173.24 175.27 2k1i s LEU 29 N 0.57 3.42 -0.06 2.44 2.96 0.08 -1.50 118.68 126.59 2k1i s LEU 29 Ca 0.08 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 2k1i s LEU 29 Cb -0.12 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 2k1i s LEU 29 CO -0.00 -1.72 0.04 0.00 -1.32 0.00 0.00 176.35 173.34