#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 1.78 -4.90 1.08 3.02 -1.26 -5.01 115.26 109.97 1aqs n ASN 2 Ca 0.00 -0.12 -0.26 0.00 -0.03 0.00 0.00 54.58 54.16 1aqs n ASN 2 Cb 0.00 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 1aqs n ASN 2 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1aqs s GLU 3 N -2.52 2.25 0.00 3.52 2.12 -1.26 -5.00 118.70 117.81 1aqs s GLU 3 Ca -0.32 -2.04 0.00 0.00 0.36 0.00 0.00 54.97 52.97 1aqs s GLU 3 Cb 0.09 -2.08 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1aqs s GLU 3 CO 0.63 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 1aqs n GLY 4 N -1.77 0.75 0.00 -1.50 0.00 -1.26 -4.84 105.19 96.58 1aqs n GLY 4 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.17 1.61 1.44 -1.24 -4.92 115.22 108.94 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 0.13 0.67 -0.97 -1.40 1.03 -1.26 -4.24 118.70 112.66 1aqs s GLU 6 Ca 0.00 0.14 -0.24 0.00 0.03 0.00 0.00 54.97 54.90 1aqs s GLU 6 Cb 0.00 0.17 -0.05 0.00 -0.80 0.00 0.00 34.13 33.45 1aqs s GLU 6 CO 0.00 -1.09 1.93 0.00 -1.33 0.00 0.00 175.26 174.77 1aqs n GLN 8 N 8.72 2.12 -1.57 0.00 1.13 -1.26 -4.61 117.38 121.90 1aqs n GLN 8 Ca 0.41 -0.95 -0.51 0.00 -1.94 0.00 0.00 57.00 54.02 1aqs n GLN 8 Cb 0.47 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.10 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 1.93 3.02 0.00 0.00 6.02 -1.26 -4.30 117.38 122.79 1aqs n GLN 10 Ca 0.16 -2.42 0.00 0.00 -0.01 0.00 0.00 57.00 54.74 1aqs n GLN 10 Cb 0.22 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.63 0.90 0.00 0.00 -1.26 -3.97 105.19 100.22 1aqs n GLY 12 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.23 2.80 -0.09 1.61 7.64 -1.26 -4.15 113.62 117.92 1aqs n SER 13 Ca -0.12 -1.92 -0.11 0.00 1.01 0.00 0.00 58.87 57.73 1aqs n SER 13 Cb 0.64 -0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1aqs n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqs n LYS 15 N -2.81 0.01 -0.02 0.00 2.85 -1.25 -3.07 118.16 113.87 1aqs n LYS 15 Ca -0.32 0.30 -0.02 0.00 -1.05 0.00 0.00 58.31 57.23 1aqs n LYS 15 Cb 1.01 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.87 1aqs n LYS 15 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1aqs n ASN 16 N -1.48 4.10 -4.52 -5.58 4.13 -1.26 -4.90 115.26 105.75 1aqs n ASN 16 Ca 0.03 -0.01 -0.42 0.00 1.68 0.00 0.00 54.58 55.87 1aqs n ASN 16 Cb 0.12 0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 38.76 1aqs n ASN 16 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1aqs s ASN 17 N -3.62 6.32 -0.01 6.41 3.84 -1.17 -4.81 114.94 121.88 1aqs s ASN 17 Ca -0.02 -1.04 0.11 0.00 0.21 0.00 0.00 52.86 52.11 1aqs s ASN 17 Cb 0.01 -2.51 0.35 0.00 -0.55 0.00 0.00 41.25 38.54 1aqs s ASN 17 CO 0.12 -1.57 1.26 -0.62 -2.79 0.00 0.00 177.10 173.51 1aqs n GLU 18 N 8.53 2.02 -0.08 0.43 1.02 -1.26 -3.77 120.64 127.53 1aqs n GLU 18 Ca 0.12 -1.40 0.12 0.00 -0.02 0.00 0.00 57.16 55.99 1aqs n GLU 18 Cb 0.49 -1.37 0.28 0.00 -0.02 0.00 0.00 31.44 30.82 1aqs n GLU 18 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1aqs n GLN 19 N 0.58 2.11 -0.19 3.49 0.00 -1.26 -4.13 117.38 117.98 1aqs n GLN 19 Ca 0.13 -1.65 0.00 0.00 -0.00 0.00 0.00 57.00 55.48 1aqs n GLN 19 Cb 0.37 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.15 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 0.00 0.81 0.00 0.00 -0.00 -1.26 -2.54 117.38 114.39 1aqs n GLN 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1aqs n GLN 21 Cb 0.56 -1.11 0.00 0.00 -0.00 0.00 0.00 30.24 29.70 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 -0.61 0.00 -2.31 2.61 4.76 -1.26 -1.55 118.16 119.80 1aqs n LYS 22 Ca 0.04 -0.40 -0.03 0.00 -2.87 0.00 0.00 58.31 55.05 1aqs n LYS 22 Cb 0.02 -0.43 0.09 0.00 -1.84 0.00 0.00 35.03 32.86 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 0.00 -1.35 -4.87 4.39 3.41 -1.17 -3.65 113.62 110.37 1aqs n SER 23 Ca 0.00 -2.16 -0.31 0.00 -0.26 0.00 0.00 58.87 56.15 1aqs n SER 23 Cb 0.48 0.60 0.02 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.86 7.17 -4.46 0.00 7.64 -1.26 -4.19 113.62 115.67 1aqs n SER 25 Ca 0.06 -3.61 -0.31 0.00 1.01 0.00 0.00 58.87 56.03 1aqs n SER 25 Cb 0.55 -1.13 -0.13 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.49 0.08 -1.11 0.00 -0.04 -1.26 -4.92 135.00 129.23 1aqs n PRO 27 Ca -0.16 -0.17 -0.21 0.00 -0.04 0.00 0.00 63.50 62.92 1aqs n PRO 27 Cb 0.52 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.97 3.00 -1.79 0.52 5.66 -1.26 -3.47 114.28 114.97 1aqs n THR 28 Ca 0.01 -2.15 0.01 0.00 -3.05 0.00 0.00 64.05 58.87 1aqs n THR 28 Cb 0.04 -1.43 0.01 0.00 -1.55 0.00 0.00 70.33 67.41 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 0.46 2.43 1.09 0.00 -1.26 -4.90 105.19 103.52 1aqs n GLY 29 Ca 0.38 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 1.47 3.85 -1.95 0.00 2.85 -1.26 -4.77 115.26 115.45 1aqs n ASN 31 Ca 0.55 -2.22 0.00 0.00 -0.11 0.00 0.00 54.58 52.80 1aqs n ASN 31 Cb 0.45 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.99 1aqs n ASN 31 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1aqs n SER 32 N 1.13 1.92 0.00 1.20 2.88 -1.26 -5.06 113.62 114.43 1aqs n SER 32 Ca 0.22 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1aqs n SER 32 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1aqs n SER 32 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1aqs n ASP 33 N -1.08 1.07 -2.16 -3.46 -0.08 -1.26 -4.58 116.55 105.00 1aqs n ASP 33 Ca 0.00 -1.47 -0.08 0.00 -1.51 0.00 0.00 54.79 51.73 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 -0.23 2.79 -2.09 1.67 5.68 -1.26 -4.67 116.55 118.43 1aqs n ASP 34 Ca 0.00 -2.86 -0.04 0.00 -0.50 0.00 0.00 54.79 51.40 1aqs n ASP 34 Cb 0.29 -0.41 0.06 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.57 0.89 -3.61 0.11 4.81 -1.26 -5.07 118.16 113.46 1aqs n LYS 35 Ca 0.22 -1.12 -0.40 0.00 -0.87 0.00 0.00 58.31 56.15 1aqs n LYS 35 Cb 0.89 0.45 -0.08 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 4.32 1.84 0.00 0.00 -0.04 -1.26 -4.91 135.00 134.94 1aqs n PRO 37 Ca 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1aqs n PRO 37 Cb 0.41 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.14 -0.30 0.00 0.00 0.00 -1.95 -3.47 103.07 97.21 1aqs h GLY 39 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1aqs h GLY 39 CO 0.00 -0.11 0.00 0.70 0.00 0.00 0.00 176.54 177.13