#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqs n ASN 2 N 0.00 5.36 -1.27 1.69 2.85 -1.26 -4.61 115.26 118.01 1aqs n ASN 2 Ca 0.00 -3.75 -0.00 0.00 -0.11 0.00 0.00 54.58 50.72 1aqs n ASN 2 Cb 0.00 -0.58 -0.01 0.00 1.24 0.00 0.00 39.78 40.43 1aqs n ASN 2 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1aqs n GLU 3 N -0.53 0.00 -0.91 1.20 -0.58 -1.26 -5.12 120.64 113.43 1aqs n GLU 3 Ca 0.43 -1.57 -0.29 0.00 -0.42 0.00 0.00 57.16 55.31 1aqs n GLU 3 Cb 0.61 0.17 0.23 0.00 -0.57 0.00 0.00 31.44 31.89 1aqs n GLU 3 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1aqs s GLY 4 N -1.57 1.54 0.00 0.62 0.00 -1.25 -4.74 107.32 101.92 1aqs s GLY 4 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1aqs s GLY 4 CO -0.10 0.20 0.00 -2.39 0.00 0.00 0.00 173.10 170.81 1aqs n HIS 5 N -4.71 0.00 -3.74 1.90 1.44 -1.01 -4.77 115.22 104.33 1aqs n HIS 5 Ca 0.08 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.49 1aqs n HIS 5 Cb 0.58 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.54 1aqs n HIS 5 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1aqs s GLU 6 N 0.96 0.74 -0.91 -1.40 -1.05 -1.26 -2.41 118.70 113.36 1aqs s GLU 6 Ca 0.00 -1.02 -0.24 0.00 -0.15 0.00 0.00 54.97 53.55 1aqs s GLU 6 Cb 0.00 -2.02 0.01 0.00 -0.44 0.00 0.00 34.13 31.68 1aqs s GLU 6 CO 0.00 -0.95 1.65 0.00 0.95 0.00 0.00 175.26 176.91 1aqs n GLN 8 N 8.96 1.57 -1.69 0.00 -0.00 -1.26 -4.67 117.38 120.28 1aqs n GLN 8 Ca 0.31 -0.52 -0.44 0.00 -0.00 0.00 0.00 57.00 56.35 1aqs n GLN 8 Cb 0.49 -1.48 -0.03 0.00 -0.00 0.00 0.00 30.24 29.22 1aqs n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aqs n GLN 10 N 3.09 2.01 0.00 0.00 10.64 -1.26 -4.27 117.38 127.60 1aqs n GLN 10 Ca 0.14 -2.38 0.00 0.00 -1.83 0.00 0.00 57.00 52.94 1aqs n GLN 10 Cb 0.32 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.25 1aqs n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aqs n GLY 12 N 0.00 -0.60 0.77 0.00 0.00 -1.26 -3.99 105.19 100.12 1aqs n GLY 12 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1aqs n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aqs n SER 13 N -2.00 2.66 -0.08 1.61 7.64 -1.26 -4.18 113.62 118.01 1aqs n SER 13 Ca -0.04 -1.79 -0.10 0.00 1.01 0.00 0.00 58.87 57.95 1aqs n SER 13 Cb 0.40 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs h LYS 15 N 0.00 0.00 0.00 0.00 2.10 -1.74 -3.32 116.57 113.61 1aqs h LYS 15 Ca -0.40 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.23 1aqs h LYS 15 Cb 1.79 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1aqs h LYS 15 CO -0.01 0.31 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.41 1aqs h ASN 16 N 0.00 0.00 -2.44 7.07 -0.73 -1.77 -3.43 115.58 114.28 1aqs h ASN 16 Ca -0.00 -0.11 -0.56 0.00 1.87 0.00 0.00 56.30 57.50 1aqs h ASN 16 Cb 0.76 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.26 1aqs h ASN 16 CO 0.04 0.75 0.96 0.20 -0.37 0.00 0.00 177.43 179.01 1aqs s ASN 17 N -5.80 6.17 -0.01 1.15 -0.87 -1.25 -4.82 114.94 109.51 1aqs s ASN 17 Ca -0.11 -0.53 0.11 0.00 -1.57 0.00 0.00 52.86 50.76 1aqs s ASN 17 Cb 0.01 -2.53 0.35 0.00 -0.02 0.00 0.00 41.25 39.06 1aqs s ASN 17 CO 0.20 -1.75 1.27 -0.62 -2.57 0.00 0.00 177.10 173.63 1aqs n GLU 18 N 9.03 1.98 0.00 -0.60 1.02 -1.26 -3.94 120.64 126.87 1aqs n GLU 18 Ca 0.02 -1.40 0.15 0.00 -0.02 0.00 0.00 57.16 55.90 1aqs n GLU 18 Cb 0.48 -1.35 0.84 0.00 -0.02 0.00 0.00 31.44 31.40 1aqs n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1aqs n GLN 19 N 0.60 0.76 -0.27 3.49 6.02 -1.26 -3.12 117.38 123.61 1aqs n GLN 19 Ca 0.13 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.17 1aqs n GLN 19 Cb 0.36 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.19 1aqs n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqs n GLN 21 N -0.71 0.97 -0.11 0.00 1.13 -1.18 -2.89 117.38 114.59 1aqs n GLN 21 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1aqs n GLN 21 Cb 0.65 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.99 1aqs n GLN 21 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1aqs n LYS 22 N -0.49 0.00 -0.95 -1.09 5.02 -1.26 -2.62 118.16 116.76 1aqs n LYS 22 Ca 0.00 -0.41 -0.06 0.00 -2.02 0.00 0.00 58.31 55.82 1aqs n LYS 22 Cb 0.00 -0.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.62 1aqs n LYS 22 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1aqs n SER 23 N 0.00 -0.91 -4.85 4.39 3.41 -1.01 -3.96 113.62 110.68 1aqs n SER 23 Ca 0.00 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.40 1aqs n SER 23 Cb 0.53 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.75 1aqs n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqs n SER 25 N -2.26 6.96 -4.71 0.00 2.88 -1.26 -2.41 113.62 112.82 1aqs n SER 25 Ca 0.06 -3.80 -0.34 0.00 -1.33 0.00 0.00 58.87 53.46 1aqs n SER 25 Cb 0.54 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aqs n PRO 27 N 1.74 0.15 -1.14 0.00 -0.04 -1.26 -4.91 135.00 129.53 1aqs n PRO 27 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1aqs n PRO 27 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1aqs n PRO 27 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aqs n THR 28 N -1.85 2.99 -1.83 0.52 5.66 -1.26 -3.49 114.28 115.03 1aqs n THR 28 Ca 0.00 -2.15 0.01 0.00 -3.05 0.00 0.00 64.05 58.86 1aqs n THR 28 Cb 0.00 -1.52 0.01 0.00 -1.55 0.00 0.00 70.33 67.27 1aqs n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1aqs n GLY 29 N 0.84 0.70 2.75 1.09 0.00 -1.26 -4.89 105.19 104.41 1aqs n GLY 29 Ca 0.38 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 1aqs n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqs n ASN 31 N 0.01 1.65 -0.20 0.00 5.15 -1.26 -4.81 115.26 115.80 1aqs n ASN 31 Ca 0.52 -1.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1aqs n ASN 31 Cb 0.31 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1aqs n ASN 31 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1aqs n SER 32 N -0.10 0.00 0.00 1.20 7.64 -1.26 -4.99 113.62 116.11 1aqs n SER 32 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1aqs n SER 32 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1aqs n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1aqs n ASP 33 N 0.00 0.12 -2.27 6.43 -0.08 -1.26 -4.70 116.55 114.78 1aqs n ASP 33 Ca 0.00 -1.04 -0.06 0.00 -1.51 0.00 0.00 54.79 52.17 1aqs n ASP 33 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 1aqs n ASP 33 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1aqs n ASP 34 N -0.02 2.53 -1.99 1.67 5.68 -1.26 -4.70 116.55 118.46 1aqs n ASP 34 Ca 0.00 -2.68 -0.04 0.00 -0.50 0.00 0.00 54.79 51.58 1aqs n ASP 34 Cb 0.37 -0.42 0.05 0.00 -1.14 0.00 0.00 41.12 39.98 1aqs n ASP 34 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1aqs n LYS 35 N -0.54 0.81 -3.61 0.11 4.81 -1.26 -5.07 118.16 113.41 1aqs n LYS 35 Ca 0.19 -1.09 -0.40 0.00 -0.87 0.00 0.00 58.31 56.14 1aqs n LYS 35 Cb 0.89 0.45 -0.09 0.00 0.02 0.00 0.00 35.03 36.30 1aqs n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqs n PRO 37 N 4.53 1.93 0.00 0.00 -0.04 -1.26 -4.91 135.00 135.25 1aqs n PRO 37 Ca -0.02 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1aqs n PRO 37 Cb 0.41 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1aqs n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqs h GLY 39 N -0.08 -0.84 -0.66 0.00 0.00 -1.91 -3.47 103.07 96.12 1aqs h GLY 39 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1aqs h GLY 39 CO 0.00 -0.30 0.00 -2.01 0.00 0.00 0.00 176.54 174.23