#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 2.39 -4.01 0.00 2.08 -1.26 -4.98 119.36 113.58 1q3j n ILE 2 Ca 0.00 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.71 1q3j n ILE 2 Cb 0.00 -0.90 -0.08 0.00 -0.75 0.00 0.00 39.64 37.92 1q3j n ILE 2 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1q3j s LYS 3 N -1.99 1.12 -0.58 0.38 2.20 -1.26 -4.95 119.74 114.66 1q3j s LYS 3 Ca 0.66 -1.24 -0.19 0.00 -0.36 0.00 0.00 55.97 54.83 1q3j s LYS 3 Cb -0.54 0.35 -0.17 0.00 -1.51 0.00 0.00 37.83 35.96 1q3j s LYS 3 CO 0.55 -0.40 1.82 -1.71 -0.36 0.00 0.00 175.35 175.26 1q3j n ASN 4 N -0.20 2.44 0.00 1.43 2.85 -1.26 -1.40 115.26 119.12 1q3j n ASN 4 Ca -0.07 -2.53 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 1q3j n ASN 4 Cb 0.63 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.71 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1q3j n GLY 5 N 4.44 0.01 3.75 8.20 0.00 -1.21 -4.98 105.19 115.41 1q3j n GLY 5 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 6.55 0.34 1.61 0.02 -0.49 -4.71 114.94 118.26 1q3j s ASN 6 Ca 0.00 2.79 -0.28 0.00 -1.02 0.00 0.00 52.86 54.35 1q3j s ASN 6 Cb 0.00 -2.63 -0.12 0.00 0.02 0.00 0.00 41.25 38.51 1q3j s ASN 6 CO 0.00 -0.76 1.29 0.61 0.02 0.00 0.00 177.10 178.26 1q3j n GLY 7 N 1.81 0.60 0.24 0.66 0.00 -1.26 -0.80 105.19 106.43 1q3j n GLY 7 Ca 0.06 0.32 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 1q3j n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3j n GLN 9 N -2.91 0.53 -2.13 0.00 1.13 -1.06 -1.76 117.38 111.17 1q3j n GLN 9 Ca -0.15 -2.30 -0.42 0.00 -1.94 0.00 0.00 57.00 52.19 1q3j n GLN 9 Cb 0.64 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.47 1q3j n GLN 9 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1q3j s PRO 10 N 0.51 4.24 0.00 -1.09 0.02 -1.25 -3.31 135.00 134.13 1q3j s PRO 10 Ca 0.31 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1q3j s PRO 10 Cb 0.07 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1q3j s PRO 10 CO -0.13 -0.66 0.00 -1.71 -0.33 0.00 0.00 177.00 174.18 1q3j n ASN 11 N 5.75 0.00 0.00 2.53 2.85 0.21 -3.84 115.26 122.75 1q3j n ASN 11 Ca 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1q3j n ASN 11 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1q3j n GLY 12 N 0.00 1.26 0.37 8.20 0.00 -1.25 -4.99 105.19 108.78 1q3j n GLY 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.03 1.07 -3.51 1.61 0.02 -1.93 -3.44 113.55 108.41 1q3j h SER 13 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1q3j h SER 13 Cb 0.00 -0.27 -0.21 0.00 0.14 0.00 0.00 62.40 62.06 1q3j h SER 13 CO 0.00 0.77 0.05 -1.58 -1.14 0.00 0.00 176.83 174.93 1q3j s GLN 14 N -6.04 0.75 -0.29 3.45 2.00 -1.26 -5.14 119.66 113.14 1q3j s GLN 14 Ca -0.12 1.08 -0.24 0.00 -2.00 0.00 0.00 55.36 54.08 1q3j s GLN 14 Cb 0.18 0.26 0.14 0.00 0.80 0.00 0.00 33.01 34.39 1q3j s GLN 14 CO 0.81 -0.12 1.13 0.20 -0.50 0.00 0.00 175.29 176.80 1q3j s GLY 15 N 0.99 -0.01 -0.01 2.59 0.00 -1.26 -3.76 107.32 105.86 1q3j s GLY 15 Ca -0.05 2.93 -0.01 0.00 0.00 0.00 0.00 44.72 47.59 1q3j s GLY 15 CO -0.09 1.94 0.03 -1.31 0.00 0.00 0.00 173.10 173.67 1q3j s ASN 16 N 0.29 -0.00 -0.15 1.64 0.01 -0.72 -4.78 114.94 111.22 1q3j s ASN 16 Ca 0.03 -0.01 -0.07 0.00 -0.71 0.00 0.00 52.86 52.10 1q3j s ASN 16 Cb -0.05 0.09 0.06 0.00 0.41 0.00 0.00 41.25 41.76 1q3j s ASN 16 CO -0.09 -0.06 0.35 0.00 -1.51 0.00 0.00 177.10 175.78 1q3j h SER 19 N 0.00 0.94 -2.59 0.00 0.87 -1.92 -3.49 113.55 107.37 1q3j h SER 19 Ca -0.00 -0.65 -0.08 0.00 -1.23 0.00 0.00 61.79 59.83 1q3j h SER 19 Cb 0.54 -0.28 0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1q3j h SER 19 CO 0.03 1.45 -0.16 0.61 -0.53 0.00 0.00 176.83 178.23 1q3j n GLY 20 N 0.79 0.37 2.34 5.77 0.00 -1.12 -4.90 105.19 108.44 1q3j n GLY 20 Ca -0.08 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.08 -1.15 -2.01 1.61 9.36 -1.26 -5.06 117.16 116.58 1q3j n TYR 21 Ca -0.04 -3.09 -0.26 0.00 3.32 0.00 0.00 57.90 57.82 1q3j n TYR 21 Cb 0.53 0.16 -0.07 0.00 -0.63 0.00 0.00 39.34 39.33 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 11.81 1.79 -0.30 0.00 2.46 0.02 -4.68 115.29 126.40 1q3j s HIS 23 Ca 0.70 0.60 0.20 0.00 0.47 0.00 0.00 55.06 57.03 1q3j s HIS 23 Cb -0.01 -4.12 0.48 0.00 -0.13 0.00 0.00 32.58 28.80 1q3j s HIS 23 CO 0.14 -2.01 1.07 1.17 -2.47 0.00 0.00 174.74 172.64 1q3j n LYS 24 N 9.02 1.42 0.07 2.88 4.81 -1.26 -2.51 118.16 132.59 1q3j n LYS 24 Ca 0.30 -3.21 -0.13 0.00 -0.87 0.00 0.00 58.31 54.41 1q3j n LYS 24 Cb 0.49 -1.28 -0.09 0.00 0.02 0.00 0.00 35.03 34.18 1q3j n LYS 24 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1q3j h GLN 25 N 2.68 -0.19 -7.26 1.64 4.20 -1.97 -3.45 115.11 110.76 1q3j h GLN 25 Ca -0.14 0.01 -0.52 0.00 0.06 0.00 0.00 58.65 58.06 1q3j h GLN 25 Cb 1.23 0.04 0.14 0.00 0.30 0.00 0.00 27.48 29.20 1q3j h GLN 25 CO 0.30 0.19 0.32 -2.14 -0.67 0.00 0.00 178.83 176.83 1q3j s PRO 26 N -4.37 2.11 0.00 1.46 0.02 -1.26 -4.86 135.00 128.10 1q3j s PRO 26 Ca -0.15 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1q3j s PRO 26 Cb 0.02 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1q3j s PRO 26 CO 0.59 -1.78 1.18 0.41 -0.33 0.00 0.00 177.00 177.07 1q3j n GLY 27 N -0.52 1.70 3.83 0.52 0.00 -1.26 -4.86 105.19 104.60 1q3j n GLY 27 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1q3j n GLY 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1q3j s TRP 28 N 0.71 3.35 0.09 1.61 -2.14 -1.26 -4.99 118.94 116.31 1q3j s TRP 28 Ca 0.00 1.48 -0.19 0.00 2.66 0.00 0.00 56.10 60.05 1q3j s TRP 28 Cb 0.00 -2.76 -0.07 0.00 -3.10 0.00 0.00 33.47 27.54 1q3j s TRP 28 CO 0.00 -0.12 1.58 -0.24 -2.66 0.00 0.00 176.95 175.51 1q3j h VAL 29 N 1.70 1.22 -3.56 -0.66 3.04 -1.98 -3.42 116.25 112.58 1q3j h VAL 29 Ca -0.48 -0.73 -0.66 0.00 -1.01 0.00 0.00 66.70 63.83 1q3j h VAL 29 Cb 1.18 1.22 -0.25 0.00 -2.01 0.00 0.00 31.29 31.43 1q3j h VAL 29 CO 0.62 0.23 -0.65 0.00 -1.01 0.00 0.00 177.57 176.76 1q3j s ALA 30 N -5.24 3.05 0.13 3.17 0.00 -1.26 0.64 121.76 122.24 1q3j s ALA 30 Ca -0.14 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 1q3j s ALA 30 Cb 0.08 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 1q3j s ALA 30 CO 0.73 -0.52 0.69 0.20 0.00 0.00 0.00 175.76 176.86 1q3j s GLY 31 N 1.56 2.82 0.22 0.00 0.00 -1.21 -4.92 107.32 105.79 1q3j s GLY 31 Ca 0.06 0.23 0.10 0.00 0.00 0.00 0.00 44.72 45.10 1q3j s GLY 31 CO 0.01 0.70 -0.19 -2.52 0.00 0.00 0.00 173.10 171.10 1q3j s TYR 32 N -1.13 2.07 -0.36 1.90 -0.85 -1.04 0.74 117.35 118.68 1q3j s TYR 32 Ca 0.33 -0.42 -0.23 0.00 -0.52 0.00 0.00 57.07 56.23 1q3j s TYR 32 Cb -0.22 -0.97 0.01 0.00 0.38 0.00 0.00 41.96 41.17 1q3j s TYR 32 CO 0.23 0.51 0.80 0.00 -1.52 0.00 0.00 175.55 175.57 1q3j n ARG 34 N 6.46 2.29 0.00 0.00 0.63 -1.23 -3.29 116.66 121.52 1q3j n ARG 34 Ca 0.03 -2.21 0.00 0.00 -0.92 0.00 0.00 57.85 54.76 1q3j n ARG 34 Cb 0.48 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1q3j n ARG 34 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1q3j n ARG 35 N 0.72 0.00 0.00 -0.14 1.85 -1.26 -4.98 116.66 112.85 1q3j n ARG 35 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 1q3j n ARG 35 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1q3j n ARG 35 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79