#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3j s ILE 2 N 0.00 4.46 -0.28 0.00 1.10 -1.26 -4.29 121.20 120.93 1q3j s ILE 2 Ca 0.00 1.08 -0.23 0.00 -0.51 0.00 0.00 60.65 60.99 1q3j s ILE 2 Cb 0.00 -4.43 0.12 0.00 0.15 0.00 0.00 42.46 38.30 1q3j s ILE 2 CO 0.00 -0.73 0.95 -0.75 -2.11 0.00 0.00 174.94 172.30 1q3j s LYS 3 N 3.78 0.54 0.19 3.50 2.20 -1.26 -4.88 119.74 123.82 1q3j s LYS 3 Ca 0.40 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.42 1q3j s LYS 3 Cb -0.10 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 1q3j s LYS 3 CO 0.24 -0.08 1.31 0.54 -0.36 0.00 0.00 175.35 177.01 1q3j s ASN 4 N 0.56 6.89 0.00 1.43 2.20 -1.23 -2.47 114.94 122.32 1q3j s ASN 4 Ca -0.00 2.39 0.00 0.00 -0.94 0.00 0.00 52.86 54.30 1q3j s ASN 4 Cb -0.05 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.59 1q3j s ASN 4 CO -0.08 -0.54 0.00 0.61 -2.94 0.00 0.00 177.10 174.16 1q3j n GLY 5 N 2.46 3.01 3.78 0.45 0.00 -1.23 -4.93 105.19 108.72 1q3j n GLY 5 Ca 0.07 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 0.88 6.28 -0.69 1.61 2.47 -1.03 -4.82 114.94 119.63 1q3j s ASN 6 Ca 0.00 3.07 -0.26 0.00 0.42 0.00 0.00 52.86 56.09 1q3j s ASN 6 Cb 0.00 -2.67 -0.07 0.00 -1.45 0.00 0.00 41.25 37.06 1q3j s ASN 6 CO 0.00 -0.92 2.15 -0.83 -3.72 0.00 0.00 177.10 173.78 1q3j s GLY 7 N -0.15 -0.22 -0.11 1.21 0.00 -1.26 -2.86 107.32 103.93 1q3j s GLY 7 Ca 0.54 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 44.32 1q3j s GLY 7 CO 0.63 3.82 0.66 0.00 0.00 0.00 0.00 173.10 178.21 1q3j n GLN 9 N -4.25 0.22 -0.75 0.00 6.02 -0.56 -3.59 117.38 114.48 1q3j n GLN 9 Ca -0.19 -3.14 -0.11 0.00 -0.01 0.00 0.00 57.00 53.55 1q3j n GLN 9 Cb 0.73 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.25 1q3j n GLN 9 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1q3j n PRO 10 N 2.75 1.61 -3.08 -1.09 -0.02 -1.26 -0.63 135.00 133.28 1q3j n PRO 10 Ca 0.29 -0.86 -0.02 0.00 -2.02 0.00 0.00 63.50 60.88 1q3j n PRO 10 Cb 0.49 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1q3j n PRO 10 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1q3j n ASN 11 N 2.84 -7.65 -1.77 2.55 5.15 -1.25 -4.25 115.26 110.88 1q3j n ASN 11 Ca 0.35 -0.06 -0.04 0.00 -0.60 0.00 0.00 54.58 54.23 1q3j n ASN 11 Cb 0.59 -5.11 0.02 0.00 -0.53 0.00 0.00 39.78 34.75 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q3j n GLY 12 N -1.61 0.33 3.25 8.20 0.00 -1.26 -5.08 105.19 109.02 1q3j n GLY 12 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1q3j n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q3j s SER 13 N -3.21 -0.24 0.28 1.61 0.01 -1.26 -5.14 113.70 105.75 1q3j s SER 13 Ca 0.06 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.24 1q3j s SER 13 Cb -0.01 0.40 -0.12 0.00 0.21 0.00 0.00 66.02 66.50 1q3j s SER 13 CO 0.18 -0.39 1.50 0.00 0.41 0.00 0.00 173.24 174.94 1q3j n GLN 14 N 1.57 2.40 -3.50 12.44 6.02 -1.26 -4.28 117.38 130.76 1q3j n GLN 14 Ca -0.20 0.85 0.03 0.00 -0.01 0.00 0.00 57.00 57.67 1q3j n GLN 14 Cb 0.56 -2.57 -0.05 0.00 1.02 0.00 0.00 30.24 29.20 1q3j n GLN 14 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1q3j s GLY 15 N 0.35 0.51 -0.06 1.08 0.00 -1.24 -4.84 107.32 103.12 1q3j s GLY 15 Ca 0.65 3.77 -0.03 0.00 0.00 0.00 0.00 44.72 49.12 1q3j s GLY 15 CO 0.50 2.96 0.13 0.21 0.00 0.00 0.00 173.10 176.91 1q3j s ASN 16 N 1.37 0.16 0.05 1.64 2.47 -1.26 -4.72 114.94 114.65 1q3j s ASN 16 Ca -0.05 0.27 -0.30 0.00 0.42 0.00 0.00 52.86 53.20 1q3j s ASN 16 Cb -0.02 0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 39.91 1q3j s ASN 16 CO -0.12 -0.17 1.01 0.00 -3.72 0.00 0.00 177.10 174.10 1q3j h SER 19 N 0.33 0.24 0.00 0.00 4.64 -1.93 -3.48 113.55 113.34 1q3j h SER 19 Ca 0.28 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1q3j h SER 19 Cb 0.35 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1q3j h SER 19 CO -0.31 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1q3j n GLY 20 N 0.61 2.93 3.70 -0.77 0.00 -1.02 -5.11 105.19 105.53 1q3j n GLY 20 Ca -0.08 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1q3j n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q3j s TYR 21 N -0.07 2.76 0.03 1.61 5.04 -1.26 -4.77 117.35 120.68 1q3j s TYR 21 Ca 0.00 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.22 1q3j s TYR 21 Cb 0.00 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.42 1q3j s TYR 21 CO 0.00 -3.33 -0.09 0.00 -1.34 0.00 0.00 175.55 170.79 1q3j s HIS 23 N -0.82 2.27 -0.25 0.00 2.46 0.48 -4.93 115.29 114.49 1q3j s HIS 23 Ca -0.02 -1.37 -0.05 0.00 0.47 0.00 0.00 55.06 54.09 1q3j s HIS 23 Cb -0.07 -1.61 0.13 0.00 -0.13 0.00 0.00 32.58 30.90 1q3j s HIS 23 CO 0.00 -0.70 0.49 0.21 -2.47 0.00 0.00 174.74 172.28 1q3j s LYS 24 N 1.45 0.44 0.07 2.88 2.20 -1.26 -2.03 119.74 123.49 1q3j s LYS 24 Ca 0.02 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1q3j s LYS 24 Cb -0.14 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 1q3j s LYS 24 CO -0.10 -0.44 0.00 1.04 -0.36 0.00 0.00 175.35 175.49 1q3j n GLN 25 N 5.40 0.00 -0.94 4.03 6.02 -1.26 -5.10 117.38 125.54 1q3j n GLN 25 Ca -0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.62 1q3j n GLN 25 Cb 0.50 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.90 1q3j n GLN 25 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1q3j s PRO 26 N -2.00 1.49 0.00 -1.09 0.02 -1.26 -4.85 135.00 127.31 1q3j s PRO 26 Ca 0.00 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 62.46 1q3j s PRO 26 Cb 0.00 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.60 1q3j s PRO 26 CO 0.00 -2.27 2.57 0.41 -0.33 0.00 0.00 177.00 177.38 1q3j n GLY 27 N -0.15 2.53 3.87 0.52 0.00 -1.26 -4.89 105.19 105.80 1q3j n GLY 27 Ca 0.11 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 0.79 3.01 0.40 1.61 -2.14 -1.26 -4.97 118.94 116.39 1q3j s TRP 28 Ca 0.32 0.92 0.17 0.00 2.66 0.00 0.00 56.10 60.17 1q3j s TRP 28 Cb 0.15 -3.29 0.99 0.00 -3.10 0.00 0.00 33.47 28.22 1q3j s TRP 28 CO 0.00 -1.64 1.94 -0.24 -2.66 0.00 0.00 176.95 174.35 1q3j h VAL 29 N -0.97 1.05 -2.20 -0.66 3.04 -1.97 -3.44 116.25 111.09 1q3j h VAL 29 Ca -0.46 -0.86 -0.05 0.00 -1.01 0.00 0.00 66.70 64.32 1q3j h VAL 29 Cb 1.30 1.48 -0.22 0.00 -2.01 0.00 0.00 31.29 31.83 1q3j h VAL 29 CO 0.64 0.24 -0.01 0.00 -1.01 0.00 0.00 177.57 177.43 1q3j s ALA 30 N -4.36 -1.59 0.39 3.17 0.00 -1.26 -3.81 121.76 114.29 1q3j s ALA 30 Ca -0.03 1.93 -0.23 0.00 0.00 0.00 0.00 51.96 53.63 1q3j s ALA 30 Cb 0.15 -1.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.03 1q3j s ALA 30 CO 0.68 -0.32 0.97 0.20 0.00 0.00 0.00 175.76 177.30 1q3j s GLY 31 N 0.80 2.62 0.19 0.00 0.00 0.19 -4.89 107.32 106.24 1q3j s GLY 31 Ca -0.04 0.52 0.07 0.00 0.00 0.00 0.00 44.72 45.28 1q3j s GLY 31 CO -0.06 0.89 -0.14 -2.52 0.00 0.00 0.00 173.10 171.26 1q3j s TYR 32 N -1.85 1.66 1.01 1.90 -0.85 -0.86 -0.16 117.35 118.19 1q3j s TYR 32 Ca 0.57 -0.57 -0.17 0.00 -0.52 0.00 0.00 57.07 56.38 1q3j s TYR 32 Cb -0.16 -0.79 0.22 0.00 0.38 0.00 0.00 41.96 41.62 1q3j s TYR 32 CO 0.20 0.32 1.31 0.00 -1.52 0.00 0.00 175.55 175.86 1q3j s ARG 34 N -5.86 0.75 0.00 0.00 3.52 -1.22 -3.49 118.95 112.64 1q3j s ARG 34 Ca 0.75 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 1q3j s ARG 34 Cb -0.04 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 1q3j s ARG 34 CO 0.54 -0.13 0.00 0.54 -0.81 0.00 0.00 175.30 175.44 1q3j n ARG 35 N 3.73 2.46 0.00 5.12 1.74 -1.26 -4.71 116.66 123.74 1q3j n ARG 35 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1q3j n ARG 35 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 1q3j n ARG 35 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47