#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3j n ILE 2 N 0.00 -1.17 -0.41 0.00 5.41 -1.26 -4.95 119.36 116.97 1q3j n ILE 2 Ca 0.00 0.48 0.00 0.00 1.00 0.00 0.00 62.75 64.23 1q3j n ILE 2 Cb 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1q3j n ILE 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1q3j n LYS 3 N -1.60 -1.10 -1.76 0.38 5.02 -1.25 -4.80 118.16 113.05 1q3j n LYS 3 Ca 0.00 0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1q3j n LYS 3 Cb 0.10 -1.05 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1q3j n LYS 3 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1q3j n ASN 4 N -1.67 3.81 0.00 4.39 3.02 -0.29 -3.79 115.26 120.72 1q3j n ASN 4 Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 1q3j n ASN 4 Cb 0.11 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.67 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q3j n GLY 5 N 1.18 3.99 3.70 7.41 0.00 -1.26 -4.95 105.19 115.25 1q3j n GLY 5 Ca 0.04 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1q3j n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q3j s ASN 6 N 0.00 6.54 -1.32 1.61 3.84 -1.25 -4.89 114.94 119.48 1q3j s ASN 6 Ca 0.00 2.60 -0.17 0.00 0.21 0.00 0.00 52.86 55.50 1q3j s ASN 6 Cb 0.00 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.17 1q3j s ASN 6 CO 0.00 -0.91 1.89 0.61 -2.79 0.00 0.00 177.10 175.91 1q3j n GLY 7 N 4.00 2.98 0.18 1.21 0.00 -1.26 -3.41 105.19 108.89 1q3j n GLY 7 Ca 0.16 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1q3j n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3j s GLN 9 N -4.42 1.66 0.23 0.00 2.00 -1.11 -1.43 119.66 116.59 1q3j s GLN 9 Ca -0.13 -2.62 -0.07 0.00 -2.00 0.00 0.00 55.36 50.53 1q3j s GLN 9 Cb 0.07 -2.49 0.27 0.00 0.80 0.00 0.00 33.01 31.67 1q3j s GLN 9 CO 0.79 -1.29 1.85 -1.35 -0.50 0.00 0.00 175.29 174.79 1q3j h PRO 10 N 5.77 0.91 0.00 1.67 0.11 -1.80 0.49 132.00 139.15 1q3j h PRO 10 Ca 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1q3j h PRO 10 Cb 0.85 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1q3j h PRO 10 CO 0.55 0.60 0.00 0.27 -0.21 0.00 0.00 178.00 179.21 1q3j n ASN 11 N -4.63 0.00 0.00 -2.05 0.23 -1.26 -2.77 115.26 104.77 1q3j n ASN 11 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1q3j n ASN 11 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1q3j n GLY 12 N -0.61 -0.91 0.09 4.83 0.00 -1.26 -5.06 105.19 102.27 1q3j n GLY 12 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1q3j n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q3j n SER 13 N 0.00 1.88 0.00 1.61 3.41 -1.26 -5.05 113.62 114.21 1q3j n SER 13 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1q3j n SER 13 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1q3j n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1q3j n GLN 14 N -4.50 0.00 -1.73 4.33 -0.06 -1.26 -5.03 117.38 109.13 1q3j n GLN 14 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 1q3j n GLN 14 Cb 0.47 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.65 1q3j n GLN 14 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1q3j n GLY 15 N 0.00 0.61 2.26 1.69 0.00 -0.52 -4.93 105.19 104.30 1q3j n GLY 15 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1q3j n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q3j n ASN 16 N -1.11 5.51 -4.74 1.61 6.94 -1.26 -4.63 115.26 117.58 1q3j n ASN 16 Ca 0.00 -2.36 -0.41 0.00 -0.02 0.00 0.00 54.58 51.78 1q3j n ASN 16 Cb 0.47 -1.24 -0.03 0.00 -2.36 0.00 0.00 39.78 36.63 1q3j n ASN 16 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1q3j n SER 19 N -3.32 0.00 0.29 0.00 3.41 -1.26 -4.96 113.62 107.77 1q3j n SER 19 Ca -0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1q3j n SER 19 Cb 0.35 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 64.96 1q3j n SER 19 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1q3j h GLY 20 N 0.00 0.00 -2.62 5.00 0.00 -1.84 -3.46 103.07 100.15 1q3j h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q3j h GLY 20 CO 0.00 0.00 -0.36 2.98 0.00 0.00 0.00 176.54 179.16 1q3j n TYR 21 N -2.93 -1.82 -2.14 5.60 9.36 -1.26 -1.51 117.16 122.45 1q3j n TYR 21 Ca 0.00 1.09 -0.41 0.00 3.32 0.00 0.00 57.90 61.90 1q3j n TYR 21 Cb 0.55 -2.66 -0.03 0.00 -0.63 0.00 0.00 39.34 36.58 1q3j n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q3j s HIS 23 N -0.13 -0.11 -0.04 0.00 2.46 0.04 -4.86 115.29 112.65 1q3j s HIS 23 Ca 0.56 0.39 -0.02 0.00 0.47 0.00 0.00 55.06 56.47 1q3j s HIS 23 Cb -0.39 -0.14 0.03 0.00 -0.13 0.00 0.00 32.58 31.95 1q3j s HIS 23 CO 0.42 -0.15 0.06 0.21 -2.47 0.00 0.00 174.74 172.80 1q3j s LYS 24 N 1.22 -0.08 0.23 2.88 2.20 -1.26 -0.87 119.74 124.06 1q3j s LYS 24 Ca -0.08 0.36 -0.20 0.00 -0.36 0.00 0.00 55.97 55.69 1q3j s LYS 24 Cb -0.12 -0.48 -0.08 0.00 -1.51 0.00 0.00 37.83 35.63 1q3j s LYS 24 CO -0.05 -0.31 0.73 -0.65 -0.36 0.00 0.00 175.35 174.70 1q3j s GLN 25 N 2.07 4.25 -0.56 4.03 -1.52 -1.26 -4.94 119.66 121.72 1q3j s GLN 25 Ca 0.04 0.87 -0.05 0.00 -1.95 0.00 0.00 55.36 54.27 1q3j s GLN 25 Cb -0.12 -2.86 -0.09 0.00 -0.22 0.00 0.00 33.01 29.73 1q3j s GLN 25 CO -0.03 0.38 2.12 -0.35 -0.25 0.00 0.00 175.29 177.17 1q3j n PRO 26 N 0.67 1.68 -1.18 2.91 -0.04 -1.26 -3.58 135.00 134.20 1q3j n PRO 26 Ca -0.02 -1.10 -0.02 0.00 -0.04 0.00 0.00 63.50 62.32 1q3j n PRO 26 Cb 0.51 -2.19 0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1q3j n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q3j n GLY 27 N 3.38 -0.11 0.11 0.55 0.00 -1.26 -4.99 105.19 102.88 1q3j n GLY 27 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1q3j n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1q3j n TRP 28 N -0.22 0.00 -3.36 1.61 2.14 -1.23 -5.04 117.44 111.34 1q3j n TRP 28 Ca -0.08 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.28 1q3j n TRP 28 Cb 0.49 0.16 -0.05 0.00 -0.81 0.00 0.00 31.31 31.10 1q3j n TRP 28 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1q3j n VAL 29 N 0.00 -0.26 -3.15 -1.67 0.24 -1.26 -4.82 118.33 107.41 1q3j n VAL 29 Ca 0.00 -0.13 0.06 0.00 -2.04 0.00 0.00 64.34 62.23 1q3j n VAL 29 Cb 0.50 -0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.45 1q3j n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q3j s ALA 30 N -2.96 -4.17 0.33 2.33 0.00 -1.12 -4.65 121.76 111.53 1q3j s ALA 30 Ca 0.26 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 1q3j s ALA 30 Cb -0.15 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 1q3j s ALA 30 CO 0.57 -1.77 0.72 0.20 0.00 0.00 0.00 175.76 175.48 1q3j s GLY 31 N 2.99 2.22 0.10 0.00 0.00 0.17 -4.87 107.32 107.93 1q3j s GLY 31 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1q3j s GLY 31 CO -0.13 0.12 -0.07 -2.52 0.00 0.00 0.00 173.10 170.51 1q3j s TYR 32 N -2.06 0.88 0.12 1.90 -0.85 -0.05 -1.18 117.35 116.11 1q3j s TYR 32 Ca 0.52 -0.90 -0.31 0.00 -0.52 0.00 0.00 57.07 55.86 1q3j s TYR 32 Cb -0.10 -0.51 -0.09 0.00 0.38 0.00 0.00 41.96 41.64 1q3j s TYR 32 CO 0.21 -0.15 1.49 0.00 -1.52 0.00 0.00 175.55 175.59 1q3j n ARG 34 N 4.22 3.54 -3.84 0.00 3.00 0.13 -1.14 116.66 122.57 1q3j n ARG 34 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.86 1q3j n ARG 34 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.73 1q3j n ARG 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1q3j s ARG 35 N 0.85 0.05 0.00 -0.14 1.70 -1.20 -3.96 118.95 116.24 1q3j s ARG 35 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1q3j s ARG 35 Cb 0.00 -0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1q3j s ARG 35 CO 0.00 -0.03 0.00 0.36 -1.08 0.00 0.00 175.30 174.55