#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 -6.88 -3.65 0.00 5.41 -1.26 -4.83 119.36 108.14 1q3j n ILE 2 Ca 0.00 0.03 -0.15 0.00 1.00 0.00 0.00 62.75 63.63 1q3j n ILE 2 Cb 0.00 -5.72 -0.08 0.00 -0.71 0.00 0.00 39.64 33.13 1q3j n ILE 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1q3j s LYS 3 N -2.75 0.79 0.54 0.38 -2.85 -1.26 -4.90 119.74 109.68 1q3j s LYS 3 Ca 0.04 0.36 -0.22 0.00 -1.00 0.00 0.00 55.97 55.15 1q3j s LYS 3 Cb -0.01 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1q3j s LYS 3 CO 0.46 -0.19 1.37 0.54 0.10 0.00 0.00 175.35 177.63 1q3j s ASN 4 N -0.60 5.32 0.00 0.03 2.20 -1.25 -2.91 114.94 117.72 1q3j s ASN 4 Ca -0.07 2.78 0.00 0.00 -0.94 0.00 0.00 52.86 54.63 1q3j s ASN 4 Cb -0.03 -2.64 0.00 0.00 -2.00 0.00 0.00 41.25 36.58 1q3j s ASN 4 CO 0.05 -1.54 0.00 0.61 -2.94 0.00 0.00 177.10 173.28 1q3j n GLY 5 N 0.71 3.04 3.75 0.45 0.00 -1.26 -4.96 105.19 106.91 1q3j n GLY 5 Ca 0.10 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1q3j n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q3j s ASN 6 N 0.08 6.89 -1.06 1.61 -0.87 -1.15 -4.90 114.94 115.54 1q3j s ASN 6 Ca 0.00 2.48 -0.23 0.00 -1.57 0.00 0.00 52.86 53.54 1q3j s ASN 6 Cb 0.00 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 1q3j s ASN 6 CO 0.00 -0.50 1.80 -0.83 -2.57 0.00 0.00 177.10 175.00 1q3j s GLY 7 N -0.00 0.63 0.22 0.66 0.00 -1.26 -2.45 107.32 105.12 1q3j s GLY 7 Ca 0.54 -2.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 1q3j s GLY 7 CO 0.43 3.22 1.77 0.00 0.00 0.00 0.00 173.10 178.52 1q3j s GLN 9 N -6.06 0.69 0.08 0.00 0.74 -0.92 -2.62 119.66 111.57 1q3j s GLN 9 Ca -0.13 -1.20 -0.16 0.00 0.05 0.00 0.00 55.36 53.93 1q3j s GLN 9 Cb 0.18 -0.93 -0.11 0.00 1.10 0.00 0.00 33.01 33.25 1q3j s GLN 9 CO 0.76 -1.24 1.38 -1.35 -0.55 0.00 0.00 175.29 174.29 1q3j h PRO 10 N 6.69 0.64 -0.01 1.67 0.11 -1.82 -2.27 132.00 137.00 1q3j h PRO 10 Ca 0.09 -0.36 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 1q3j h PRO 10 Cb 1.01 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 1q3j h PRO 10 CO 0.23 0.97 -0.29 0.27 -0.21 0.00 0.00 178.00 178.97 1q3j n ASN 11 N -4.29 -1.44 -3.34 -2.05 0.23 -1.26 -4.50 115.26 98.62 1q3j n ASN 11 Ca -0.05 -2.22 -0.21 0.00 -0.53 0.00 0.00 54.58 51.57 1q3j n ASN 11 Cb 0.48 0.68 0.08 0.00 -2.08 0.00 0.00 39.78 38.94 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 -1.52 -0.41 0.13 4.83 0.00 -1.26 -4.93 105.19 102.04 1q3j n GLY 12 Ca -0.17 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1q3j n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1q3j h SER 13 N -2.35 -0.20 0.00 1.61 0.02 -1.93 -3.48 113.55 107.23 1q3j h SER 13 Ca -0.53 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1q3j h SER 13 Cb 1.34 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1q3j h SER 13 CO 0.51 0.05 0.00 1.67 -1.14 0.00 0.00 176.83 177.92 1q3j n GLN 14 N -5.10 0.00 0.00 3.45 0.00 -1.26 -5.11 117.38 109.36 1q3j n GLN 14 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.91 1q3j n GLN 14 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.44 1q3j n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q3j n GLY 15 N 0.00 0.66 0.06 1.69 0.00 -1.26 -5.05 105.19 101.29 1q3j n GLY 15 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 1q3j n GLY 15 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1q3j h ASN 16 N 0.00 -0.02 -3.53 1.61 -0.73 -1.69 -3.43 115.58 107.78 1q3j h ASN 16 Ca 0.00 -0.29 -0.53 0.00 1.87 0.00 0.00 56.30 57.35 1q3j h ASN 16 Cb 0.00 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1q3j h ASN 16 CO 0.00 0.28 0.07 0.00 -0.37 0.00 0.00 177.43 177.41 1q3j n SER 19 N 7.99 -2.26 -1.26 0.00 7.64 -1.26 -4.88 113.62 119.59 1q3j n SER 19 Ca 0.50 -0.48 0.05 0.00 1.01 0.00 0.00 58.87 59.94 1q3j n SER 19 Cb 0.41 -4.05 0.24 0.00 -1.01 0.00 0.00 64.21 59.80 1q3j n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q3j n GLY 20 N -1.11 2.17 2.71 0.23 0.00 -1.25 -4.96 105.19 102.97 1q3j n GLY 20 Ca -0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 1q3j n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q3j n TYR 21 N 0.46 -3.96 -2.57 1.61 9.36 -1.26 -2.92 117.16 117.88 1q3j n TYR 21 Ca 0.17 1.92 -0.41 0.00 3.32 0.00 0.00 57.90 62.89 1q3j n TYR 21 Cb 0.75 -3.86 -0.04 0.00 -0.63 0.00 0.00 39.34 35.56 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 0.12 1.87 -0.05 0.00 2.46 -1.08 -4.94 115.29 113.67 1q3j s HIS 23 Ca 0.50 -1.07 -0.00 0.00 0.47 0.00 0.00 55.06 54.96 1q3j s HIS 23 Cb -0.27 -1.42 0.03 0.00 -0.13 0.00 0.00 32.58 30.78 1q3j s HIS 23 CO 0.32 -0.61 0.00 0.21 -2.47 0.00 0.00 174.74 172.19 1q3j s LYS 24 N 1.58 0.46 0.02 2.88 2.20 -1.26 -2.56 119.74 123.06 1q3j s LYS 24 Ca 0.03 0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.57 1q3j s LYS 24 Cb -0.14 -0.73 -0.06 0.00 -1.51 0.00 0.00 37.83 35.39 1q3j s LYS 24 CO -0.09 -0.21 0.46 -1.14 -0.36 0.00 0.00 175.35 174.01 1q3j s GLN 25 N 1.51 4.04 -0.16 4.03 0.74 -1.26 -4.95 119.66 123.60 1q3j s GLN 25 Ca -0.03 0.52 -0.03 0.00 0.05 0.00 0.00 55.36 55.88 1q3j s GLN 25 Cb -0.13 -3.24 -0.09 0.00 1.10 0.00 0.00 33.01 30.65 1q3j s GLN 25 CO -0.03 0.64 1.71 -0.35 -0.55 0.00 0.00 175.29 176.71 1q3j n PRO 26 N 1.92 0.93 0.00 1.67 -0.04 -1.26 -3.33 135.00 134.89 1q3j n PRO 26 Ca -0.12 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1q3j n PRO 26 Cb 0.52 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 3.07 0.00 1.13 0.55 0.00 -1.26 -5.02 105.19 103.66 1q3j n GLY 27 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.00 1.61 2.14 -1.21 -5.04 117.44 114.93 1q3j n TRP 28 Ca 0.00 -0.44 0.00 0.00 2.07 0.00 0.00 57.50 59.13 1q3j n TRP 28 Cb 0.00 0.21 0.00 0.00 -0.81 0.00 0.00 31.31 30.71 1q3j n TRP 28 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1q3j n VAL 29 N 0.19 0.00 -3.76 -1.67 0.31 -1.26 -4.74 118.33 107.40 1q3j n VAL 29 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1q3j n VAL 29 Cb 0.86 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.69 1q3j n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q3j s ALA 30 N 0.00 -0.81 0.03 3.52 0.00 -1.26 -4.70 121.76 118.53 1q3j s ALA 30 Ca 0.00 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1q3j s ALA 30 Cb 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1q3j s ALA 30 CO 0.00 -0.19 0.76 0.20 0.00 0.00 0.00 175.76 176.52 1q3j s GLY 31 N -0.30 2.76 0.41 0.00 0.00 -0.86 -4.91 107.32 104.43 1q3j s GLY 31 Ca -0.04 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.84 1q3j s GLY 31 CO 0.02 1.11 0.76 -2.52 0.00 0.00 0.00 173.10 172.46 1q3j s TYR 32 N 0.09 3.49 -0.12 1.90 1.13 -1.06 0.05 117.35 122.83 1q3j s TYR 32 Ca 0.38 0.98 -0.30 0.00 -1.41 0.00 0.00 57.07 56.73 1q3j s TYR 32 Cb -0.20 -2.39 -0.02 0.00 -1.10 0.00 0.00 41.96 38.24 1q3j s TYR 32 CO 0.22 -0.12 1.24 0.00 -2.51 0.00 0.00 175.55 174.38 1q3j n ARG 34 N 6.02 3.44 -1.16 0.00 1.74 -0.63 -3.86 116.66 122.22 1q3j n ARG 34 Ca 0.13 -2.79 -0.34 0.00 -0.77 0.00 0.00 57.85 54.08 1q3j n ARG 34 Cb 0.45 -3.01 -0.02 0.00 -1.02 0.00 0.00 32.46 28.86 1q3j n ARG 34 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1q3j n ARG 35 N 4.46 2.94 0.00 5.56 3.00 -1.26 -4.84 116.66 126.53 1q3j n ARG 35 Ca 0.58 -1.98 0.04 0.00 -0.00 0.00 0.00 57.85 56.50 1q3j n ARG 35 Cb 0.33 -2.74 0.04 0.00 0.00 0.00 0.00 32.46 30.08 1q3j n ARG 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26