#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqs s ASN 2 N 0.00 6.84 -0.00 2.61 2.47 -1.26 -4.84 114.94 120.76 1aqs s ASN 2 Ca 0.00 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.26 1aqs s ASN 2 Cb 0.00 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1aqs s ASN 2 CO 0.00 -0.64 0.61 -0.62 -3.72 0.00 0.00 177.10 172.73 1aqs n GLU 3 N 6.27 0.39 -2.39 0.43 1.02 -1.26 -5.09 120.64 120.01 1aqs n GLU 3 Ca 0.07 -0.69 -0.28 0.00 -0.02 0.00 0.00 57.16 56.24 1aqs n GLU 3 Cb 0.47 -0.57 0.01 0.00 -0.02 0.00 0.00 31.44 31.33 1aqs n GLU 3 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1aqs s GLY 4 N -0.24 1.55 0.00 0.62 0.00 -1.25 -4.35 107.32 103.65 1aqs s GLY 4 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1aqs s GLY 4 CO 0.00 -0.21 0.00 -2.39 0.00 0.00 0.00 173.10 170.50 1aqs n HIS 5 N -2.44 0.00 -3.75 1.90 1.44 -1.16 -4.74 115.22 106.47 1aqs n HIS 5 Ca 0.03 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 1aqs n HIS 5 Cb 0.55 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.51 1aqs n HIS 5 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1aqs s GLU 6 N 0.95 0.75 -0.98 -1.40 2.12 -1.26 -2.65 118.70 116.22 1aqs s GLU 6 Ca 0.00 -1.07 -0.23 0.00 0.36 0.00 0.00 54.97 54.03 1aqs s GLU 6 Cb 0.00 -2.04 0.06 0.00 0.26 0.00 0.00 34.13 32.41 1aqs s GLU 6 CO 0.00 -0.97 1.40 0.00 -0.54 0.00 0.00 175.26 175.15 1aqs n GLN 8 N 8.71 2.12 -1.64 0.00 -0.06 -1.26 -4.65 117.38 120.60 1aqs n GLN 8 Ca 0.29 -0.90 -0.48 0.00 -2.00 0.00 0.00 57.00 53.90 1aqs n GLN 8 Cb 0.51 -1.72 -0.05 0.00 -4.06 0.00 0.00 30.24 24.92 1aqs n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aqs n GLN 10 N 2.99 2.35 0.00 0.00 6.02 -1.26 -4.25 117.38 123.23 1aqs n GLN 10 Ca 0.17 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.69 1aqs n GLN 10 Cb 0.25 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1aqs n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqs n GLY 12 N 0.00 0.33 0.37 0.00 0.00 -1.26 -4.45 105.19 100.19 1aqs n GLY 12 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.33 1.88 -0.10 1.61 7.64 -1.26 -4.46 113.62 117.60 1aqs n SER 13 Ca -0.00 -1.46 -0.13 0.00 1.01 0.00 0.00 58.87 58.29 1aqs n SER 13 Cb 0.03 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 1.57 -1.78 -2.59 116.57 113.77 1aqs h LYS 15 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1aqs h LYS 15 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1aqs h LYS 15 CO -0.02 0.30 -1.14 0.09 -0.57 0.00 0.00 179.45 178.11 1aqs n ASN 16 N -4.00 0.60 -4.28 0.86 3.02 -1.26 -4.60 115.26 105.61 1aqs n ASN 16 Ca -0.02 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 1aqs n ASN 16 Cb 0.37 0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 40.34 1aqs n ASN 16 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1aqs s ASN 17 N -4.47 6.76 0.00 6.41 -0.87 -0.98 -4.83 114.94 116.95 1aqs s ASN 17 Ca 0.01 -3.29 0.16 0.00 -1.57 0.00 0.00 52.86 48.16 1aqs s ASN 17 Cb 0.13 -2.13 0.82 0.00 -0.02 0.00 0.00 41.25 40.05 1aqs s ASN 17 CO 0.81 -0.36 1.54 -1.84 -2.57 0.00 0.00 177.10 174.68 1aqs n GLU 18 N 3.08 1.19 -0.00 -0.60 0.28 -1.26 -3.38 120.64 119.94 1aqs n GLU 18 Ca 0.19 -0.28 0.15 0.00 -0.16 0.00 0.00 57.16 57.06 1aqs n GLU 18 Cb 0.41 -1.26 0.76 0.00 1.43 0.00 0.00 31.44 32.78 1aqs n GLU 18 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1aqs n GLN 19 N -0.46 1.28 -0.35 3.44 3.00 -1.26 -3.58 117.38 119.46 1aqs n GLN 19 Ca 0.12 -0.41 0.01 0.00 -0.01 0.00 0.00 57.00 56.71 1aqs n GLN 19 Cb 0.12 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 28.88 1aqs n GLN 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aqs n GLN 21 N -0.08 0.96 -0.06 0.00 10.64 -1.23 -2.64 117.38 124.97 1aqs n GLN 21 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1aqs n GLN 21 Cb 0.64 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.96 1aqs n GLN 21 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1aqs n LYS 22 N -0.56 0.00 -1.31 2.61 2.85 -1.26 -2.29 118.16 118.21 1aqs n LYS 22 Ca 0.03 -0.43 -0.06 0.00 -1.05 0.00 0.00 58.31 56.80 1aqs n LYS 22 Cb 0.01 -0.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.97 1aqs n LYS 22 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1aqs n SER 23 N 0.00 -1.06 -4.87 -5.58 7.64 -1.09 -3.54 113.62 105.12 1aqs n SER 23 Ca 0.00 -1.99 -0.31 0.00 1.01 0.00 0.00 58.87 57.58 1aqs n SER 23 Cb 0.52 0.37 0.03 0.00 -1.01 0.00 0.00 64.21 64.11 1aqs n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs n SER 25 N -2.86 6.32 -4.64 0.00 3.41 -1.26 -2.98 113.62 111.60 1aqs n SER 25 Ca 0.06 -3.78 -0.35 0.00 -0.26 0.00 0.00 58.87 54.54 1aqs n SER 25 Cb 0.55 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqs n PRO 27 N 2.56 -0.23 -1.13 0.00 -0.04 -1.26 -4.89 135.00 130.00 1aqs n PRO 27 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1aqs n PRO 27 Cb 0.53 0.00 -0.03 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 -2.09 2.99 -1.70 0.52 5.66 -1.26 -3.39 114.28 115.02 1aqs n THR 28 Ca 0.00 -2.14 0.00 0.00 -3.05 0.00 0.00 64.05 58.86 1aqs n THR 28 Cb 0.00 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.26 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 0.85 -0.56 2.60 1.09 0.00 -1.26 -4.93 105.19 102.98 1aqs n GLY 29 Ca 0.38 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 1.27 2.98 -1.34 0.00 4.05 -1.26 -4.80 115.26 116.16 1aqs n ASN 31 Ca 0.53 -1.91 0.00 0.00 0.45 0.00 0.00 54.58 53.66 1aqs n ASN 31 Cb 0.27 -0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.04 1aqs n ASN 31 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1aqs n SER 32 N 0.84 0.72 0.00 1.20 3.41 -1.26 -4.99 113.62 113.54 1aqs n SER 32 Ca 0.14 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1aqs n SER 32 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1aqs n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1aqs n ASP 33 N -1.53 1.04 -2.46 4.04 9.92 -1.26 -4.69 116.55 121.61 1aqs n ASP 33 Ca 0.00 -1.34 -0.03 0.00 -0.53 0.00 0.00 54.79 52.88 1aqs n ASP 33 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 1aqs n ASP 33 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1aqs n ASP 34 N -0.17 2.07 -1.75 -2.24 9.92 -1.26 -4.74 116.55 118.38 1aqs n ASP 34 Ca 0.00 -2.37 -0.05 0.00 -0.53 0.00 0.00 54.79 51.84 1aqs n ASP 34 Cb 0.20 -0.43 0.02 0.00 -0.64 0.00 0.00 41.12 40.27 1aqs n ASP 34 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1aqs n LYS 35 N -0.50 0.62 -3.62 -1.24 4.81 -1.26 -5.07 118.16 111.90 1aqs n LYS 35 Ca 0.14 -1.07 -0.39 0.00 -0.87 0.00 0.00 58.31 56.11 1aqs n LYS 35 Cb 0.87 0.46 -0.09 0.00 0.02 0.00 0.00 35.03 36.29 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 4.51 2.02 0.00 0.00 -0.04 -1.26 -4.90 135.00 135.32 1aqs n PRO 37 Ca -0.02 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1aqs n PRO 37 Cb 0.41 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.04 0.00 1.00 0.00 0.00 -1.92 -3.47 103.07 98.64 1aqs h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqs h GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53