#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqq s ASN 2 N 0.00 6.36 -0.24 1.08 -0.87 -1.26 -4.72 114.94 115.29 1aqq s ASN 2 Ca 0.00 -0.29 0.11 0.00 -1.57 0.00 0.00 52.86 51.10 1aqq s ASN 2 Cb 0.00 -2.38 0.45 0.00 -0.02 0.00 0.00 41.25 39.29 1aqq s ASN 2 CO 0.00 -0.99 1.19 -1.84 -2.57 0.00 0.00 177.10 172.89 1aqq n GLU 3 N 6.82 2.51 -1.46 -0.60 0.00 -1.26 -4.24 120.64 122.40 1aqq n GLU 3 Ca 0.01 -3.67 -0.26 0.00 0.00 0.00 0.00 57.16 53.23 1aqq n GLU 3 Cb 0.48 -1.85 -0.07 0.00 0.00 0.00 0.00 31.44 30.00 1aqq n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aqq n GLY 4 N -0.78 4.25 2.25 -1.84 0.00 -1.26 -4.41 105.19 103.40 1aqq n GLY 4 Ca 0.30 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1aqq n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1aqq n HIS 5 N 1.09 -0.44 -3.27 1.61 1.44 -1.26 -5.12 115.22 109.27 1aqq n HIS 5 Ca 0.49 -1.93 -0.39 0.00 -2.01 0.00 0.00 57.72 53.88 1aqq n HIS 5 Cb 0.57 0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.79 1aqq n HIS 5 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1aqq s GLU 6 N -2.97 4.25 -0.38 -1.40 1.03 -1.26 -4.93 118.70 113.04 1aqq s GLU 6 Ca 0.25 0.44 -0.39 0.00 0.03 0.00 0.00 54.97 55.30 1aqq s GLU 6 Cb 0.01 -3.51 -0.15 0.00 -0.80 0.00 0.00 34.13 29.68 1aqq s GLU 6 CO 0.18 -0.03 2.05 0.00 -1.33 0.00 0.00 175.26 176.13 1aqq n GLN 8 N 7.16 2.60 -2.43 0.00 1.13 -1.26 -4.92 117.38 119.66 1aqq n GLN 8 Ca 0.41 -3.61 -0.38 0.00 -1.94 0.00 0.00 57.00 51.48 1aqq n GLN 8 Cb 0.11 -2.03 -0.03 0.00 0.11 0.00 0.00 30.24 28.40 1aqq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aqq n GLN 10 N 0.33 2.66 -0.33 0.00 6.02 -1.06 -4.50 117.38 120.50 1aqq n GLN 10 Ca 0.03 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 1aqq n GLN 10 Cb 0.47 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1aqq n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqq n GLY 12 N 5.00 -0.41 0.13 0.00 0.00 -1.26 -3.76 105.19 104.90 1aqq n GLY 12 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1aqq n GLY 12 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1aqq h SER 13 N 0.00 0.17 0.07 1.61 0.87 -1.95 -2.86 113.55 111.46 1aqq h SER 13 Ca 0.00 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.14 1aqq h SER 13 Cb 0.46 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1aqq h SER 13 CO 0.00 0.88 -1.57 0.00 -0.53 0.00 0.00 176.83 175.61 1aqq h LYS 15 N -0.43 0.60 0.00 0.00 2.10 -1.65 -3.37 116.57 113.81 1aqq h LYS 15 Ca -0.37 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1aqq h LYS 15 Cb 1.68 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1aqq h LYS 15 CO -0.03 0.39 -0.19 -1.71 -2.00 0.00 0.00 179.45 175.91 1aqq n ASN 16 N -4.88 0.71 -4.49 7.07 2.85 -1.08 -4.93 115.26 110.52 1aqq n ASN 16 Ca 0.22 0.11 -0.43 0.00 -0.11 0.00 0.00 54.58 54.36 1aqq n ASN 16 Cb 0.59 -0.34 -0.09 0.00 1.24 0.00 0.00 39.78 41.18 1aqq n ASN 16 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1aqq n ASN 17 N -3.18 1.47 -0.11 1.20 5.15 -0.88 -4.72 115.26 114.18 1aqq n ASN 17 Ca -0.03 0.06 0.04 0.00 -0.60 0.00 0.00 54.58 54.05 1aqq n ASN 17 Cb 0.10 -1.22 0.20 0.00 -0.53 0.00 0.00 39.78 38.32 1aqq n ASN 17 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1aqq n GLU 18 N 8.52 1.15 0.16 1.20 0.28 -1.26 -3.41 120.64 127.27 1aqq n GLU 18 Ca 0.49 -0.22 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 1aqq n GLU 18 Cb 0.24 -1.14 0.30 0.00 1.43 0.00 0.00 31.44 32.27 1aqq n GLU 18 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1aqq h GLN 19 N 0.39 0.00 -0.00 3.44 1.08 -1.88 -3.27 115.11 114.87 1aqq h GLN 19 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aqq h GLN 19 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1aqq h GLN 19 CO 0.00 0.00 -0.02 0.00 -0.95 0.00 0.00 178.83 177.86 1aqq n GLN 21 N -0.62 2.52 -0.01 0.00 10.64 -1.23 -4.06 117.38 124.63 1aqq n GLN 21 Ca 0.00 -1.35 -0.00 0.00 -1.83 0.00 0.00 57.00 53.82 1aqq n GLN 21 Cb 0.02 -1.71 -0.00 0.00 -0.86 0.00 0.00 30.24 27.68 1aqq n GLN 21 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1aqq h LYS 22 N 1.81 0.00 -1.16 2.61 1.57 -1.78 -3.36 116.57 116.26 1aqq h LYS 22 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1aqq h LYS 22 Cb 1.00 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.90 1aqq h LYS 22 CO 0.17 0.00 -1.08 0.43 -0.57 0.00 0.00 179.45 178.40 1aqq n SER 23 N -2.40 2.27 -4.71 0.86 7.64 -1.26 -4.87 113.62 111.14 1aqq n SER 23 Ca -0.00 -2.98 -0.41 0.00 1.01 0.00 0.00 58.87 56.49 1aqq n SER 23 Cb 0.02 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 1aqq n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqq n SER 25 N 3.75 0.82 -4.56 0.00 7.64 -1.26 -4.15 113.62 115.85 1aqq n SER 25 Ca 0.03 -2.00 -0.51 0.00 1.01 0.00 0.00 58.87 57.40 1aqq n SER 25 Cb 0.51 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1aqq n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqq s PRO 27 N 5.25 2.35 0.00 0.00 0.04 -1.26 -4.61 135.00 136.77 1aqq s PRO 27 Ca 1.03 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1aqq s PRO 27 Cb -0.80 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1aqq s PRO 27 CO 0.51 -3.19 0.19 0.25 0.04 0.00 0.00 177.00 174.81 1aqq n THR 28 N 7.72 0.00 -0.25 1.26 -2.24 -1.26 -2.72 114.28 116.78 1aqq n THR 28 Ca 0.31 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1aqq n THR 28 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1aqq n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqq n GLY 29 N 1.22 0.25 3.54 3.38 0.00 -1.26 -5.10 105.19 107.22 1aqq n GLY 29 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1aqq n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqq n ASN 31 N 9.07 1.19 -4.12 0.00 0.23 -1.26 -2.57 115.26 117.79 1aqq n ASN 31 Ca 0.34 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.58 52.11 1aqq n ASN 31 Cb 0.27 -0.34 -0.11 0.00 -2.08 0.00 0.00 39.78 37.52 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1aqq s SER 32 N -2.38 1.02 -0.01 0.53 0.15 -1.26 -4.93 113.70 106.83 1aqq s SER 32 Ca 0.33 -0.81 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 1aqq s SER 32 Cb 0.38 0.07 -0.34 0.00 -1.71 0.00 0.00 66.02 64.42 1aqq s SER 32 CO -0.14 -0.35 0.84 0.44 1.20 0.00 0.00 173.24 175.23 1aqq h ASP 33 N 3.62 0.75 -0.54 5.45 3.32 -1.98 -3.29 116.42 123.75 1aqq h ASP 33 Ca -0.36 -0.93 -0.25 0.00 0.02 0.00 0.00 57.03 55.51 1aqq h ASP 33 Cb 1.18 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.34 1aqq h ASP 33 CO 0.54 1.75 0.32 0.47 -1.72 0.00 0.00 179.24 180.61 1aqq n ASP 34 N -3.66 3.49 -1.36 6.45 8.00 -1.26 -3.23 116.55 124.98 1aqq n ASP 34 Ca -0.21 -2.87 0.04 0.00 0.71 0.00 0.00 54.79 52.46 1aqq n ASP 34 Cb 1.09 -0.68 0.04 0.00 -0.02 0.00 0.00 41.12 41.55 1aqq n ASP 34 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1aqq n LYS 35 N -0.33 0.16 -3.25 -1.24 4.81 -1.24 -4.89 118.16 112.19 1aqq n LYS 35 Ca 0.32 -2.08 -0.25 0.00 -0.87 0.00 0.00 58.31 55.43 1aqq n LYS 35 Cb 1.12 -0.19 -0.07 0.00 0.02 0.00 0.00 35.03 35.91 1aqq n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqq n PRO 37 N 1.38 1.50 -3.04 0.00 -0.04 -1.26 -4.88 135.00 128.66 1aqq n PRO 37 Ca 0.23 -1.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.29 1aqq n PRO 37 Cb 0.50 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 1aqq n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aqq n GLY 39 N 1.54 -2.27 0.00 0.00 0.00 -1.26 -5.08 105.19 98.12 1aqq n GLY 39 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48