#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 3.96 0.00 2.61 3.04 -1.26 -5.05 114.94 118.24 1aqs s ASN 2 Ca 0.00 -1.54 0.00 0.00 0.04 0.00 0.00 52.86 51.36 1aqs s ASN 2 Cb 0.00 -0.95 0.00 0.00 -1.54 0.00 0.00 41.25 38.76 1aqs s ASN 2 CO 0.00 -0.38 0.00 -0.62 -3.04 0.00 0.00 177.10 173.06 1aqs n GLU 3 N 4.79 0.00 0.00 0.43 1.02 -1.26 -5.10 120.64 120.51 1aqs n GLU 3 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1aqs n GLU 3 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 1aqs n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aqs n GLY 4 N 3.17 6.01 0.00 0.62 0.00 -1.25 -4.35 105.19 109.39 1aqs n GLY 4 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1aqs n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aqs n HIS 5 N 0.00 0.00 -3.78 1.61 1.44 -1.14 -4.79 115.22 108.56 1aqs n HIS 5 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1aqs n HIS 5 Cb 0.00 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 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 1.08 0.86 -0.91 -1.40 1.03 -1.26 -3.03 118.70 115.07 1aqs s GLU 6 Ca 0.00 -1.13 -0.24 0.00 0.03 0.00 0.00 54.97 53.63 1aqs s GLU 6 Cb 0.00 -2.18 0.00 0.00 -0.80 0.00 0.00 34.13 31.15 1aqs s GLU 6 CO 0.00 -0.94 1.66 0.00 -1.33 0.00 0.00 175.26 174.65 1aqs n GLN 8 N 8.96 2.33 -1.67 0.00 -0.06 -1.26 -4.73 117.38 120.94 1aqs n GLN 8 Ca 0.31 -1.09 -0.45 0.00 -2.00 0.00 0.00 57.00 53.78 1aqs n GLN 8 Cb 0.49 -1.74 -0.03 0.00 -4.06 0.00 0.00 30.24 24.90 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 2.64 2.93 0.00 0.00 7.27 -1.26 -4.32 117.38 124.64 1aqs n GLN 10 Ca 0.14 -2.30 0.00 0.00 0.07 0.00 0.00 57.00 54.91 1aqs n GLN 10 Cb 0.30 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.51 1aqs n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aqs n GLY 12 N 0.00 -0.55 1.02 0.00 0.00 -1.26 -4.04 105.19 100.37 1aqs n GLY 12 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1aqs n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aqs n SER 13 N -2.10 3.16 -0.09 1.61 2.88 -1.26 -4.10 113.62 113.72 1aqs n SER 13 Ca -0.08 -1.99 -0.11 0.00 -1.33 0.00 0.00 58.87 55.36 1aqs n SER 13 Cb 0.52 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.78 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aqs h LYS 15 N 0.00 0.75 0.00 0.00 2.10 -1.73 -3.33 116.57 114.35 1aqs h LYS 15 Ca -0.44 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 1aqs h LYS 15 Cb 1.86 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 1aqs h LYS 15 CO -0.02 0.82 -0.21 -0.91 -2.00 0.00 0.00 179.45 177.14 1aqs h ASN 16 N 0.69 0.00 -0.39 7.07 2.35 -1.77 -3.41 115.58 120.11 1aqs h ASN 16 Ca 0.12 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1aqs h ASN 16 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1aqs h ASN 16 CO 0.03 0.51 0.18 0.20 -1.65 0.00 0.00 177.43 176.69 1aqs s ASN 17 N -5.18 4.08 0.00 5.81 -0.87 -1.23 -4.68 114.94 112.87 1aqs s ASN 17 Ca -0.06 -0.25 0.19 0.00 -1.57 0.00 0.00 52.86 51.17 1aqs s ASN 17 Cb 0.01 -2.56 0.71 0.00 -0.02 0.00 0.00 41.25 39.39 1aqs s ASN 17 CO 0.09 -3.78 1.51 -1.84 -2.57 0.00 0.00 177.10 170.51 1aqs n GLU 18 N 8.74 1.65 0.00 -0.60 0.28 -1.26 -3.80 120.64 125.64 1aqs n GLU 18 Ca 0.45 -0.98 0.11 0.00 -0.16 0.00 0.00 57.16 56.58 1aqs n GLU 18 Cb 0.44 -1.36 0.67 0.00 1.43 0.00 0.00 31.44 32.63 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 0.21 0.94 -0.76 3.44 6.02 -1.26 -3.15 117.38 122.81 1aqs n GLN 19 Ca 0.15 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.17 1aqs n GLN 19 Cb 0.29 -1.38 0.05 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.20 0.87 -0.07 0.00 1.13 -1.19 -2.75 117.38 115.18 1aqs n GLN 21 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1aqs n GLN 21 Cb 0.83 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.81 1aqs n GLN 21 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1aqs n LYS 22 N -0.87 0.00 -0.96 -1.09 2.85 -1.25 -1.69 118.16 115.15 1aqs n LYS 22 Ca 0.15 -0.43 -0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1aqs n LYS 22 Cb 0.07 -0.38 -0.01 0.00 -0.65 0.00 0.00 35.03 34.06 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 0.08 -4.76 -5.58 7.64 -1.17 -3.49 113.62 106.35 1aqs n SER 23 Ca 0.00 -1.82 -0.40 0.00 1.01 0.00 0.00 58.87 57.66 1aqs n SER 23 Cb 0.52 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 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 1.46 7.43 -4.70 0.00 7.64 -1.26 -2.87 113.62 121.32 1aqs n SER 25 Ca -0.02 -3.49 -0.30 0.00 1.01 0.00 0.00 58.87 56.06 1aqs n SER 25 Cb 0.47 -1.21 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 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 0.63 -1.27 -1.08 0.00 -0.04 -1.26 -4.90 135.00 127.08 1aqs n PRO 27 Ca -0.11 -0.86 -0.20 0.00 -0.04 0.00 0.00 63.50 62.29 1aqs n PRO 27 Cb 0.52 -0.68 0.01 0.00 -0.04 0.00 0.00 33.50 33.31 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 -3.19 2.96 -1.67 0.52 5.66 -1.26 -3.39 114.28 113.91 1aqs n THR 28 Ca 0.07 -2.07 0.00 0.00 -3.05 0.00 0.00 64.05 59.00 1aqs n THR 28 Cb 0.26 -1.42 0.01 0.00 -1.55 0.00 0.00 70.33 67.63 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 0.51 -0.17 2.59 1.09 0.00 -1.26 -4.89 105.19 103.07 1aqs n GLY 29 Ca 0.37 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 0.65 4.43 -3.78 0.00 4.13 -1.26 -4.55 115.26 114.88 1aqs n ASN 31 Ca 0.52 -2.36 -0.09 0.00 1.68 0.00 0.00 54.58 54.33 1aqs n ASN 31 Cb 0.41 -0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 38.06 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1aqs s SER 32 N -0.89 -0.27 -0.75 6.41 1.04 -1.26 -4.84 113.70 113.14 1aqs s SER 32 Ca 0.48 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 1aqs s SER 32 Cb 0.30 0.64 0.02 0.00 0.10 0.00 0.00 66.02 67.08 1aqs s SER 32 CO 0.25 -1.17 1.46 1.51 0.98 0.00 0.00 173.24 176.27 1aqs s ASP 33 N -2.90 5.95 0.00 7.02 1.47 -1.26 -4.80 116.67 122.15 1aqs s ASP 33 Ca 0.11 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.45 1aqs s ASP 33 Cb -0.03 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 40.00 1aqs s ASP 33 CO 0.01 -1.96 0.00 -0.67 0.68 0.00 0.00 175.17 173.23 1aqs n ASP 34 N 10.29 0.00 -1.24 2.11 2.03 -1.26 -4.91 116.55 123.57 1aqs n ASP 34 Ca 0.12 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.38 1aqs n ASP 34 Cb 0.50 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.00 1.28 -1.48 -0.67 5.02 -1.26 -4.87 118.16 116.17 1aqs n LYS 35 Ca 0.00 -0.63 -0.44 0.00 -2.02 0.00 0.00 58.31 55.22 1aqs n LYS 35 Cb 0.00 -1.26 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 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 8.49 2.19 -0.52 0.00 -0.04 -1.26 -4.36 135.00 139.49 1aqs n PRO 37 Ca 0.49 -1.39 0.08 0.00 -0.04 0.00 0.00 63.50 62.64 1aqs n PRO 37 Cb 0.24 -2.07 0.31 0.00 -0.04 0.00 0.00 33.50 31.94 1aqs n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqs n GLY 39 N 1.07 -1.11 0.69 0.00 0.00 -1.26 -4.98 105.19 99.60 1aqs n GLY 39 Ca 0.22 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.56 1aqs n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31