#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir h LYS 2 N 0.00 -0.66 -6.52 0.03 1.79 -1.85 -3.40 116.57 105.96 3kir h LYS 2 Ca 0.00 0.05 -0.69 0.00 -2.18 0.00 0.00 60.65 57.83 3kir h LYS 2 Cb 0.00 0.15 -0.23 0.00 -1.58 0.00 0.00 32.23 30.57 3kir h LYS 2 CO 0.00 -0.44 -0.81 0.08 -1.08 0.00 0.00 179.45 177.20 3kir s VAL 3 N -5.79 2.75 -0.16 0.50 1.01 -1.26 0.06 120.40 117.51 3kir s VAL 3 Ca -0.16 -1.06 -0.35 0.00 0.00 0.00 0.00 61.98 60.41 3kir s VAL 3 Cb 0.07 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.48 3kir s VAL 3 CO 0.62 0.44 1.29 0.00 0.00 0.00 0.00 175.10 177.44 3kir s ARG 4 N -1.14 0.23 0.12 2.72 1.70 -1.23 -4.97 118.95 116.39 3kir s ARG 4 Ca 0.13 -0.10 -0.04 0.00 -0.47 0.00 0.00 55.73 55.24 3kir s ARG 4 Cb -0.10 0.10 -0.12 0.00 -0.57 0.00 0.00 34.95 34.25 3kir s ARG 4 CO 0.03 -0.10 1.28 0.00 -1.08 0.00 0.00 175.30 175.43 3kir h ALA 5 N 2.00 0.32 -2.87 7.88 0.00 -1.92 -2.43 119.26 122.25 3kir h ALA 5 Ca -0.15 -0.73 -0.71 0.00 0.00 0.00 0.00 54.91 53.32 3kir h ALA 5 Cb 1.17 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 3kir h ALA 5 CO 0.24 0.83 -0.51 0.45 0.00 0.00 0.00 179.25 180.27 3kir s SER 6 N -7.10 5.59 -0.18 0.00 0.15 -1.26 -4.83 113.70 106.07 3kir s SER 6 Ca -0.06 -1.32 -0.03 0.00 0.70 0.00 0.00 55.95 55.24 3kir s SER 6 Cb 0.08 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3kir s SER 6 CO 0.87 -0.46 -0.05 -0.69 1.20 0.00 0.00 173.24 174.11 3kir s VAL 7 N 1.45 3.59 0.13 4.45 1.01 -1.26 -5.06 120.40 124.71 3kir s VAL 7 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3kir s VAL 7 Cb -0.21 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3kir s VAL 7 CO 0.03 0.46 0.01 -0.54 0.00 0.00 0.00 175.10 175.06 3kir s LYS 8 N 0.85 0.94 0.15 2.72 1.02 -1.26 -5.09 119.74 119.07 3kir s LYS 8 Ca -0.01 -1.43 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 3kir s LYS 8 Cb -0.15 -0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.07 3kir s LYS 8 CO 0.01 -0.16 1.24 1.03 -0.92 0.00 0.00 175.35 176.56 3kir s ARG 9 N -3.95 4.44 -0.15 1.68 0.52 -1.26 -4.96 118.95 115.26 3kir s ARG 9 Ca 0.20 1.91 -0.12 0.00 -0.52 0.00 0.00 55.73 57.20 3kir s ARG 9 Cb 0.07 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3kir s ARG 9 CO 0.00 -0.20 -0.22 -0.89 0.02 0.00 0.00 175.30 174.01 3kir n ILE 10 N 3.07 1.44 -4.39 1.52 5.41 -1.26 -5.02 119.36 120.13 3kir n ILE 10 Ca 0.07 0.19 -0.27 0.00 1.00 0.00 0.00 62.75 63.74 3kir n ILE 10 Cb 0.44 -2.38 -0.08 0.00 -0.71 0.00 0.00 39.64 36.91 3kir n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kir h ASP 12 N 1.50 0.00 0.43 0.00 2.03 -2.04 -1.38 116.42 116.96 3kir h ASP 12 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 3kir h ASP 12 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3kir h ASP 12 CO 0.74 0.00 -0.16 0.29 -1.03 0.00 0.00 179.24 179.08 3kir n LYS 13 N -2.92 0.55 -2.52 4.15 5.02 -1.26 -4.87 118.16 116.32 3kir n LYS 13 Ca -0.03 -0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 55.63 3kir n LYS 13 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3kir n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kir s LYS 15 N 1.99 2.39 -0.80 0.00 1.02 -0.23 -4.94 119.74 119.16 3kir s LYS 15 Ca 0.54 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 3kir s LYS 15 Cb -0.24 -2.43 0.21 0.00 -0.52 0.00 0.00 37.83 34.85 3kir s LYS 15 CO 0.22 0.55 0.69 0.08 -0.92 0.00 0.00 175.35 175.98 3kir s VAL 16 N -1.14 4.79 0.54 3.17 1.01 -1.26 -1.33 120.40 126.17 3kir s VAL 16 Ca 0.20 -2.99 -0.08 0.00 0.00 0.00 0.00 61.98 59.11 3kir s VAL 16 Cb -0.11 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3kir s VAL 16 CO 0.12 -1.00 0.90 -0.63 0.00 0.00 0.00 175.10 174.49 3kir s ILE 17 N -0.34 4.81 -0.35 2.22 -1.09 -1.19 -4.94 121.20 120.32 3kir s ILE 17 Ca 0.21 0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3kir s ILE 17 Cb -0.13 -3.86 0.12 0.00 -1.58 0.00 0.00 42.46 37.01 3kir s ILE 17 CO -0.07 -0.98 0.18 -0.60 -1.23 0.00 0.00 174.94 172.23 3kir s ARG 18 N -4.92 0.73 -0.09 2.79 3.52 -1.26 -1.44 118.95 118.28 3kir s ARG 18 Ca 0.51 -1.32 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3kir s ARG 18 Cb -0.11 -1.74 -0.00 0.00 -1.56 0.00 0.00 34.95 31.55 3kir s ARG 18 CO 0.49 -1.11 -0.23 -0.98 -0.81 0.00 0.00 175.30 172.66 3kir s ARG 19 N 1.19 2.76 -0.94 5.12 1.70 -0.82 -4.77 118.95 123.19 3kir s ARG 19 Ca 0.14 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 3kir s ARG 19 Cb -0.21 -2.14 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 3kir s ARG 19 CO -0.12 0.20 0.79 0.72 -1.08 0.00 0.00 175.30 175.80 3kir n HIS 20 N 3.45 -1.76 0.00 5.89 8.25 -1.26 -3.07 115.22 126.71 3kir n HIS 20 Ca -0.19 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 3kir n HIS 20 Cb 0.53 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.33 3kir n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kir n GLY 21 N -1.20 1.75 3.75 -1.41 0.00 -1.26 -4.97 105.19 101.84 3kir n GLY 21 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3kir n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kir s ARG 22 N 0.00 2.77 -0.34 1.61 0.52 -1.18 -5.10 118.95 117.23 3kir s ARG 22 Ca 0.00 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.27 3kir s ARG 22 Cb 0.00 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 3kir s ARG 22 CO 0.00 0.54 0.36 0.08 0.02 0.00 0.00 175.30 176.30 3kir s VAL 23 N -1.46 5.17 0.39 3.52 1.01 -1.26 -1.94 120.40 125.83 3kir s VAL 23 Ca 0.29 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.35 3kir s VAL 23 Cb -0.11 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.48 3kir s VAL 23 CO 0.21 -0.09 0.29 -1.22 0.00 0.00 0.00 175.10 174.29 3kir n TYR 24 N 5.38 -0.86 -3.43 5.22 4.02 -0.52 -1.08 117.16 125.88 3kir n TYR 24 Ca -0.09 -1.65 -0.16 0.00 -0.01 0.00 0.00 57.90 55.99 3kir n TYR 24 Cb 0.49 -0.32 -0.11 0.00 -0.02 0.00 0.00 39.34 39.39 3kir n TYR 24 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kir s VAL 25 N -1.93 -0.40 0.25 -0.72 1.01 -1.15 -3.15 120.40 114.32 3kir s VAL 25 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3kir s VAL 25 Cb -0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 3kir s VAL 25 CO 0.14 -0.29 0.54 -0.63 0.00 0.00 0.00 175.10 174.86 3kir s ILE 26 N 2.38 4.99 0.34 2.22 1.01 -0.44 -2.25 121.20 129.44 3kir s ILE 26 Ca 0.09 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.83 3kir s ILE 26 Cb -0.15 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3kir s ILE 26 CO -0.20 -0.19 0.68 0.00 0.00 0.00 0.00 174.94 175.23 3kir h GLU 28 N 2.05 -0.12 -5.88 0.00 4.81 -1.99 -3.44 114.58 110.01 3kir h GLU 28 Ca -0.28 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.37 3kir h GLU 28 Cb 1.25 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.59 3kir h GLU 28 CO 0.35 0.40 -0.16 0.54 -0.73 0.00 0.00 179.01 179.40 3kir s ASN 29 N -5.66 6.76 0.17 1.04 2.20 -1.26 -5.01 114.94 113.18 3kir s ASN 29 Ca -0.13 0.90 -0.20 0.00 -0.94 0.00 0.00 52.86 52.48 3kir s ASN 29 Cb -0.00 -2.27 0.09 0.00 -2.00 0.00 0.00 41.25 37.07 3kir s ASN 29 CO 0.51 0.16 1.61 1.55 -2.94 0.00 0.00 177.10 178.00 3kir h PRO 30 N 5.72 -0.17 -1.30 3.55 0.13 -2.01 -2.97 132.00 134.94 3kir h PRO 30 Ca -0.46 0.01 0.44 0.00 -0.87 0.00 0.00 66.00 65.12 3kir h PRO 30 Cb 1.20 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 3kir h PRO 30 CO 0.69 -0.12 0.86 1.63 -0.23 0.00 0.00 178.00 180.83 3kir n LYS 31 N -5.40 -0.03 -0.10 0.86 5.02 -1.26 0.13 118.16 117.37 3kir n LYS 31 Ca 0.02 1.10 0.07 0.00 -2.02 0.00 0.00 58.31 57.48 3kir n LYS 31 Cb 0.32 -2.21 0.26 0.00 -0.02 0.00 0.00 35.03 33.38 3kir n LYS 31 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kir n HIS 32 N -4.38 0.28 -2.24 2.13 8.25 -1.12 -3.73 115.22 114.41 3kir n HIS 32 Ca 0.37 -0.14 -0.43 0.00 -0.26 0.00 0.00 57.72 57.26 3kir n HIS 32 Cb 1.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.54 3kir n HIS 32 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kir s LYS 33 N -1.72 3.52 0.49 -0.41 2.20 0.35 -4.79 119.74 119.37 3kir s LYS 33 Ca 0.25 1.11 0.06 0.00 -0.36 0.00 0.00 55.97 57.03 3kir s LYS 33 Cb 0.13 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 3kir s LYS 33 CO 0.19 -1.64 0.32 -0.65 -0.36 0.00 0.00 175.35 173.21 3kir s GLN 34 N 5.13 2.29 -0.30 4.03 -0.21 -0.95 -3.68 119.66 125.97 3kir s GLN 34 Ca 0.67 -1.92 -0.05 0.00 0.02 0.00 0.00 55.36 54.08 3kir s GLN 34 Cb -0.17 -2.08 0.19 0.00 1.00 0.00 0.00 33.01 31.96 3kir s GLN 34 CO 0.33 -0.40 0.85 0.50 -2.12 0.00 0.00 175.29 174.44 3kir s ARG 35 N -4.13 0.33 0.01 2.91 3.52 0.11 -2.92 118.95 118.77 3kir s ARG 35 Ca 0.36 0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 3kir s ARG 35 Cb -0.01 0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.49 3kir s ARG 35 CO 0.21 -0.56 1.83 -1.14 -0.81 0.00 0.00 175.30 174.84 3kir s GLN 36 N 2.90 4.16 0.00 5.12 0.74 -0.24 -3.48 119.66 128.86 3kir s GLN 36 Ca 0.17 2.45 0.00 0.00 0.05 0.00 0.00 55.36 58.03 3kir s GLN 36 Cb -0.07 -4.04 0.00 0.00 1.10 0.00 0.00 33.01 30.00 3kir s GLN 36 CO -0.22 -0.90 0.00 0.41 -0.55 0.00 0.00 175.29 174.03