#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 0.06 -0.03 1.69 2.47 -1.26 -5.16 114.94 112.71 1aqs s ASN 2 Ca 0.00 -1.21 -0.01 0.00 0.42 0.00 0.00 52.86 52.06 1aqs s ASN 2 Cb 0.00 0.46 0.03 0.00 -1.45 0.00 0.00 41.25 40.29 1aqs s ASN 2 CO 0.00 -0.95 0.05 -1.61 -3.72 0.00 0.00 177.10 170.86 1aqs s GLU 3 N -4.10 -0.04 0.00 0.43 2.02 -1.26 -5.03 118.70 110.71 1aqs s GLU 3 Ca 0.32 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.57 1aqs s GLU 3 Cb 0.04 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.97 1aqs s GLU 3 CO 0.11 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1aqs n GLY 4 N 4.47 -0.72 0.00 -1.39 0.00 -1.25 -4.97 105.19 101.32 1aqs n GLY 4 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.16 1.61 1.44 -1.25 -4.93 115.22 108.94 1aqs n HIS 5 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1aqs n HIS 5 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 0.61 -1.07 -1.40 -1.05 -1.26 -4.61 118.70 109.92 1aqs s GLU 6 Ca 0.00 0.34 -0.22 0.00 -0.15 0.00 0.00 54.97 54.94 1aqs s GLU 6 Cb 0.00 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1aqs s GLU 6 CO 0.00 -1.06 1.64 0.00 0.95 0.00 0.00 175.26 176.80 1aqs n GLN 8 N 8.73 1.05 -1.65 0.00 0.00 -1.26 -4.68 117.38 119.58 1aqs n GLN 8 Ca 0.39 -0.05 -0.48 0.00 0.00 0.00 0.00 57.00 56.86 1aqs n GLN 8 Cb 0.49 -1.32 -0.05 0.00 0.00 0.00 0.00 30.24 29.36 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 3.13 1.73 0.00 0.00 6.02 -1.26 -3.83 117.38 123.17 1aqs n GLN 10 Ca 0.17 -2.70 0.00 0.00 -0.01 0.00 0.00 57.00 54.46 1aqs n GLN 10 Cb 0.26 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.56 0.24 0.00 0.00 -1.26 -4.08 105.19 99.53 1aqs n GLY 12 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.86 1.91 -0.07 1.61 7.64 -1.26 -4.55 113.62 117.04 1aqs n SER 13 Ca -0.02 -1.60 -0.08 0.00 1.01 0.00 0.00 58.87 58.18 1aqs n SER 13 Cb 0.33 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.79 -1.71 -3.30 116.57 113.35 1aqs h LYS 15 Ca -0.35 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.86 1aqs h LYS 15 Cb 1.68 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.29 1aqs h LYS 15 CO -0.01 0.13 -1.95 0.27 -1.08 0.00 0.00 179.45 176.81 1aqs n ASN 16 N -3.46 2.09 -4.53 0.86 6.94 -1.26 -4.83 115.26 111.05 1aqs n ASN 16 Ca -0.01 0.04 -0.41 0.00 -0.02 0.00 0.00 54.58 54.18 1aqs n ASN 16 Cb 0.29 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 1aqs n ASN 16 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1aqs s ASN 17 N -6.00 6.32 0.00 0.53 -0.87 -1.21 -4.80 114.94 108.91 1aqs s ASN 17 Ca -0.23 -0.99 0.11 0.00 -1.57 0.00 0.00 52.86 50.19 1aqs s ASN 17 Cb 0.07 -2.53 0.34 0.00 -0.02 0.00 0.00 41.25 39.11 1aqs s ASN 17 CO 0.35 -1.62 1.28 1.21 -2.57 0.00 0.00 177.10 175.75 1aqs n GLU 18 N 8.79 1.80 0.00 -0.60 2.13 -1.26 -3.94 120.64 127.57 1aqs n GLU 18 Ca 0.14 -1.25 0.09 0.00 0.66 0.00 0.00 57.16 56.81 1aqs n GLU 18 Cb 0.49 -1.28 0.48 0.00 0.27 0.00 0.00 31.44 31.40 1aqs n GLU 18 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1aqs n GLN 19 N 0.51 0.31 -0.78 5.31 -0.06 -1.26 -2.67 117.38 118.73 1aqs n GLN 19 Ca 0.12 0.10 0.03 0.00 -2.00 0.00 0.00 57.00 55.25 1aqs n GLN 19 Cb 0.30 -1.50 0.04 0.00 -4.06 0.00 0.00 30.24 25.02 1aqs n GLN 19 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1aqs n GLN 21 N -0.10 1.40 0.00 0.00 3.00 -1.09 -2.92 117.38 117.67 1aqs n GLN 21 Ca 0.05 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 1aqs n GLN 21 Cb 0.84 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.85 1aqs n GLN 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1aqs n LYS 22 N -0.07 0.01 -2.64 -1.09 4.76 -1.26 -2.65 118.16 115.22 1aqs n LYS 22 Ca 0.10 -0.18 -0.03 0.00 -2.87 0.00 0.00 58.31 55.33 1aqs n LYS 22 Cb 0.17 -0.52 0.12 0.00 -1.84 0.00 0.00 35.03 32.96 1aqs n LYS 22 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1aqs n SER 23 N -0.01 -1.50 -4.84 4.39 3.41 -1.24 -3.75 113.62 110.08 1aqs n SER 23 Ca 0.00 -2.22 -0.32 0.00 -0.26 0.00 0.00 58.87 56.07 1aqs n SER 23 Cb 0.31 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 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 -1.63 7.31 -4.48 0.00 3.41 -1.26 -4.34 113.62 112.63 1aqs n SER 25 Ca 0.07 -3.80 -0.33 0.00 -0.26 0.00 0.00 58.87 54.54 1aqs n SER 25 Cb 0.54 -1.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.31 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 2.71 0.41 -1.12 0.00 -0.04 -1.26 -4.90 135.00 130.80 1aqs n PRO 27 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.09 1aqs n PRO 27 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.26 2.97 -1.69 0.52 5.66 -1.26 -3.42 114.28 115.81 1aqs n THR 28 Ca 0.00 -2.11 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 1aqs n THR 28 Cb 0.00 -1.51 0.00 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 0.82 -0.33 2.62 1.09 0.00 -1.26 -4.89 105.19 103.24 1aqs n GLY 29 Ca 0.37 -0.03 -0.34 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 0.54 4.65 -4.31 0.00 5.03 -1.26 -4.92 115.26 114.98 1aqs n ASN 31 Ca 0.52 -3.19 -0.16 0.00 0.87 0.00 0.00 54.58 52.61 1aqs n ASN 31 Cb 0.39 -0.70 -0.10 0.00 -1.02 0.00 0.00 39.78 38.35 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1aqs s SER 32 N -1.27 1.33 0.00 6.41 0.01 -1.26 -5.04 113.70 113.88 1aqs s SER 32 Ca 0.52 -1.34 0.23 0.00 1.31 0.00 0.00 55.95 56.68 1aqs s SER 32 Cb 0.42 0.13 0.40 0.00 0.21 0.00 0.00 66.02 67.18 1aqs s SER 32 CO 0.12 -0.68 1.39 0.47 0.41 0.00 0.00 173.24 174.95 1aqs n ASP 33 N -0.44 3.29 -2.52 2.44 8.00 -1.26 -4.25 116.55 121.80 1aqs n ASP 33 Ca -0.02 -1.98 -0.09 0.00 0.71 0.00 0.00 54.79 53.41 1aqs n ASP 33 Cb 0.66 -0.19 0.04 0.00 -0.02 0.00 0.00 41.12 41.60 1aqs n ASP 33 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1aqs n ASP 34 N 1.41 2.87 -1.81 -2.24 8.00 -1.26 -4.70 116.55 118.83 1aqs n ASP 34 Ca 0.18 -2.70 -0.04 0.00 0.71 0.00 0.00 54.79 52.94 1aqs n ASP 34 Cb 0.59 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1aqs n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1aqs n LYS 35 N -0.63 0.66 -3.68 -1.24 5.02 -1.26 -5.07 118.16 111.96 1aqs n LYS 35 Ca 0.21 -1.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.05 1aqs n LYS 35 Cb 0.86 0.46 -0.10 0.00 -0.02 0.00 0.00 35.03 36.23 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 4.52 2.57 -0.47 0.00 -0.04 -1.26 -4.40 135.00 135.92 1aqs n PRO 37 Ca -0.02 -1.82 0.08 0.00 -0.04 0.00 0.00 63.50 61.70 1aqs n PRO 37 Cb 0.41 -2.20 0.28 0.00 -0.04 0.00 0.00 33.50 31.95 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 1.06 -0.79 0.48 0.00 0.00 -1.26 -4.91 105.19 99.77 1aqs n GLY 39 Ca 0.21 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1aqs n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02