#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 2.04 -0.49 1.69 -0.87 -1.26 -5.03 114.94 111.01 1aqs s ASN 2 Ca 0.00 -0.28 0.06 0.00 -1.57 0.00 0.00 52.86 51.07 1aqs s ASN 2 Cb 0.00 -0.66 0.38 0.00 -0.02 0.00 0.00 41.25 40.95 1aqs s ASN 2 CO 0.00 -0.17 1.02 1.21 -2.57 0.00 0.00 177.10 176.59 1aqs n GLU 3 N 5.03 3.16 -3.65 -0.60 2.13 -1.26 -5.06 120.64 120.39 1aqs n GLU 3 Ca -0.10 -4.57 -0.20 0.00 0.66 0.00 0.00 57.16 52.95 1aqs n GLU 3 Cb 0.50 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 1aqs n GLU 3 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1aqs s GLY 4 N -3.45 1.61 0.00 8.31 0.00 -1.26 -4.64 107.32 107.89 1aqs s GLY 4 Ca 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1aqs s GLY 4 CO -0.15 -1.43 0.00 -2.39 0.00 0.00 0.00 173.10 169.12 1aqs n HIS 5 N -1.51 0.00 -3.28 1.90 1.44 -1.23 -4.90 115.22 107.64 1aqs n HIS 5 Ca -0.02 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.62 1aqs n HIS 5 Cb 0.58 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.65 1aqs n HIS 5 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1aqs s GLU 6 N 0.53 0.56 -1.16 -1.40 2.02 -1.26 -4.63 118.70 113.36 1aqs s GLU 6 Ca 0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 54.97 54.67 1aqs s GLU 6 Cb 0.00 -0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.01 1aqs s GLU 6 CO 0.00 -1.10 1.72 0.00 0.02 0.00 0.00 175.26 175.90 1aqs n GLN 8 N 8.56 1.35 -1.62 0.00 1.13 -1.26 -4.76 117.38 120.78 1aqs n GLN 8 Ca 0.43 -0.34 -0.49 0.00 -1.94 0.00 0.00 57.00 54.66 1aqs n GLN 8 Cb 0.48 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.40 1aqs n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aqs n GLN 10 N 2.38 2.34 0.00 0.00 6.02 -1.26 -3.93 117.38 122.93 1aqs n GLN 10 Ca 0.16 -2.62 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 1aqs n GLN 10 Cb 0.25 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -0.66 0.49 0.00 0.00 -1.26 -4.02 105.19 99.74 1aqs n GLY 12 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 2.23 -0.08 1.61 7.64 -1.26 -4.50 113.62 117.25 1aqs n SER 13 Ca -0.03 -1.63 -0.09 0.00 1.01 0.00 0.00 58.87 58.13 1aqs n SER 13 Cb 0.38 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.40 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 1.18 0.01 0.00 3.11 -1.70 -3.23 116.57 115.93 1aqs h LYS 15 Ca -0.39 -0.10 -0.37 0.00 -2.81 0.00 0.00 60.65 56.98 1aqs h LYS 15 Cb 1.76 -0.25 -0.07 0.00 -1.00 0.00 0.00 32.23 32.67 1aqs h LYS 15 CO -0.02 0.81 -2.34 -1.71 -2.81 0.00 0.00 179.45 173.39 1aqs n ASN 16 N -4.43 0.87 -4.53 4.20 2.85 -1.26 -4.73 115.26 108.23 1aqs n ASN 16 Ca 0.09 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.14 1aqs n ASN 16 Cb 0.05 0.32 -0.02 0.00 1.24 0.00 0.00 39.78 41.37 1aqs n ASN 16 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1aqs s ASN 17 N -5.98 6.61 0.00 1.20 2.47 -1.20 -4.75 114.94 113.29 1aqs s ASN 17 Ca -0.19 -1.82 0.16 0.00 0.42 0.00 0.00 52.86 51.43 1aqs s ASN 17 Cb 0.07 -2.52 0.52 0.00 -1.45 0.00 0.00 41.25 37.87 1aqs s ASN 17 CO 0.75 -1.32 1.40 -1.84 -3.72 0.00 0.00 177.10 172.37 1aqs n GLU 18 N 8.13 1.78 0.00 0.43 0.28 -1.26 -3.95 120.64 126.04 1aqs n GLU 18 Ca 0.34 -1.19 0.06 0.00 -0.16 0.00 0.00 57.16 56.21 1aqs n GLU 18 Cb 0.49 -1.33 0.32 0.00 1.43 0.00 0.00 31.44 32.35 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 0.44 0.15 -0.43 3.44 6.02 -1.26 -2.21 117.38 123.53 1aqs n GLN 19 Ca 0.14 0.19 0.04 0.00 -0.01 0.00 0.00 57.00 57.35 1aqs n GLN 19 Cb 0.31 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.49 0.70 0.00 0.00 -0.06 -0.94 -2.04 117.38 114.54 1aqs n GLN 21 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1aqs n GLN 21 Cb 0.71 -1.34 0.00 0.00 -4.06 0.00 0.00 30.24 25.55 1aqs n GLN 21 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1aqs n LYS 22 N -0.84 0.12 -2.66 3.69 5.02 -1.26 -3.00 118.16 119.23 1aqs n LYS 22 Ca 0.11 -0.34 -0.03 0.00 -2.02 0.00 0.00 58.31 56.03 1aqs n LYS 22 Cb 0.05 -0.59 0.12 0.00 -0.02 0.00 0.00 35.03 34.59 1aqs n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1aqs n SER 23 N -0.04 -1.57 -4.87 4.39 7.64 -1.14 -3.51 113.62 114.53 1aqs n SER 23 Ca 0.00 -2.26 -0.30 0.00 1.01 0.00 0.00 58.87 57.31 1aqs n SER 23 Cb 0.31 0.78 0.03 0.00 -1.01 0.00 0.00 64.21 64.32 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 -2.93 6.43 -4.61 0.00 7.64 -1.26 -4.48 113.62 114.41 1aqs n SER 25 Ca 0.07 -3.78 -0.43 0.00 1.01 0.00 0.00 58.87 55.73 1aqs n SER 25 Cb 0.56 -0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 1aqs n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs n PRO 27 N 7.24 -0.89 -1.18 0.00 -0.04 -1.26 -4.89 135.00 133.98 1aqs n PRO 27 Ca 0.11 -0.62 -0.22 0.00 -0.04 0.00 0.00 63.50 62.73 1aqs n PRO 27 Cb 0.48 -0.47 -0.01 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.83 3.05 -1.87 0.52 5.66 -1.26 -3.39 114.28 114.16 1aqs n THR 28 Ca 0.05 -2.29 0.00 0.00 -3.05 0.00 0.00 64.05 58.77 1aqs n THR 28 Cb 0.18 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.49 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 0.62 0.14 2.81 1.09 0.00 -1.26 -4.91 105.19 103.68 1aqs n GLY 29 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.24 1.29 -4.28 0.00 2.85 -1.26 -4.93 115.26 108.69 1aqs n ASN 31 Ca 0.52 -1.09 -0.18 0.00 -0.11 0.00 0.00 54.58 53.72 1aqs n ASN 31 Cb 0.27 0.16 -0.10 0.00 1.24 0.00 0.00 39.78 41.35 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1aqs s SER 32 N -2.41 1.44 0.00 1.20 0.01 -1.26 -5.02 113.70 107.66 1aqs s SER 32 Ca 0.25 -1.42 0.06 0.00 1.31 0.00 0.00 55.95 56.15 1aqs s SER 32 Cb 0.19 0.18 0.23 0.00 0.21 0.00 0.00 66.02 66.83 1aqs s SER 32 CO 0.50 -0.75 1.17 -0.67 0.41 0.00 0.00 173.24 173.90 1aqs n ASP 33 N -0.59 0.69 -2.38 2.44 2.03 -1.26 -3.55 116.55 113.92 1aqs n ASP 33 Ca -0.00 -1.94 -0.14 0.00 0.52 0.00 0.00 54.79 53.23 1aqs n ASP 33 Cb 0.66 -0.08 0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1aqs n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1aqs n ASP 34 N -0.15 3.45 -1.90 1.67 2.03 -1.26 -4.65 116.55 115.73 1aqs n ASP 34 Ca 0.06 -2.99 -0.04 0.00 0.52 0.00 0.00 54.79 52.33 1aqs n ASP 34 Cb 0.12 -0.40 0.04 0.00 -0.72 0.00 0.00 41.12 40.15 1aqs n ASP 34 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1aqs n LYS 35 N -0.66 0.74 -3.63 -0.67 5.02 -1.23 -5.06 118.16 112.68 1aqs n LYS 35 Ca 0.28 -1.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.08 1aqs n LYS 35 Cb 0.89 0.46 -0.08 0.00 -0.02 0.00 0.00 35.03 36.28 1aqs n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aqs n PRO 37 N 3.77 1.91 0.00 0.00 -0.04 -1.26 -4.91 135.00 134.47 1aqs n PRO 37 Ca 0.07 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1aqs n PRO 37 Cb 0.40 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.10 -1.16 -1.41 0.00 0.00 -1.92 -3.46 103.07 95.02 1aqs h GLY 39 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1aqs h GLY 39 CO 0.00 -0.42 0.00 0.70 0.00 0.00 0.00 176.54 176.82