#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqq n ASN 2 N 0.00 5.48 -1.93 1.69 5.15 -1.26 -4.46 115.26 119.93 1aqq n ASN 2 Ca 0.00 -2.80 -0.19 0.00 -0.60 0.00 0.00 54.58 50.98 1aqq n ASN 2 Cb 0.00 -0.97 0.06 0.00 -0.53 0.00 0.00 39.78 38.34 1aqq n ASN 2 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1aqq n GLU 3 N 0.50 1.94 -1.54 1.20 0.28 -1.26 -4.52 120.64 117.24 1aqq n GLU 3 Ca 0.21 -1.91 -0.28 0.00 -0.16 0.00 0.00 57.16 55.02 1aqq n GLU 3 Cb 0.64 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.70 1aqq n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aqq n GLY 4 N -0.05 4.41 2.14 -1.84 0.00 -1.26 -4.46 105.19 104.14 1aqq n GLY 4 Ca 0.37 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 1.06 -0.51 -3.25 1.61 1.44 -1.26 -5.12 115.22 109.20 1aqq n HIS 5 Ca 0.51 -1.87 -0.39 0.00 -2.01 0.00 0.00 57.72 53.96 1aqq n HIS 5 Cb 0.52 0.19 -0.06 0.00 0.12 0.00 0.00 29.99 30.76 1aqq n HIS 5 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1aqq s GLU 6 N -2.91 4.22 -0.37 -1.40 2.02 -1.26 -4.94 118.70 114.06 1aqq s GLU 6 Ca 0.26 0.44 -0.39 0.00 0.02 0.00 0.00 54.97 55.29 1aqq s GLU 6 Cb 0.01 -3.54 -0.15 0.00 0.10 0.00 0.00 34.13 30.56 1aqq s GLU 6 CO 0.19 -0.09 2.02 0.00 0.02 0.00 0.00 175.26 177.39 1aqq n GLN 8 N 7.01 2.90 -2.14 0.00 6.02 -1.26 -4.89 117.38 125.02 1aqq n GLN 8 Ca 0.40 -3.94 -0.33 0.00 -0.01 0.00 0.00 57.00 53.12 1aqq n GLN 8 Cb 0.12 -2.02 -0.00 0.00 1.02 0.00 0.00 30.24 29.36 1aqq n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqq n GLN 10 N -1.91 2.29 -0.02 0.00 6.02 -1.14 -4.47 117.38 118.15 1aqq n GLN 10 Ca 0.08 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 1aqq n GLN 10 Cb 0.53 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.29 0.14 0.00 0.00 -1.26 -3.86 105.19 104.93 1aqq n GLY 12 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.08 1.61 0.87 -1.95 -0.51 113.55 113.65 1aqq h SER 13 Ca -0.06 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.20 1aqq h SER 13 Cb 0.71 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1aqq h SER 13 CO 0.00 0.58 -1.61 0.00 -0.53 0.00 0.00 176.83 175.28 1aqq h LYS 15 N -0.39 0.00 0.00 0.00 1.57 -1.67 -3.40 116.57 112.68 1aqq h LYS 15 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1aqq h LYS 15 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1aqq h LYS 15 CO -0.02 0.13 0.00 0.09 -0.57 0.00 0.00 179.45 179.08 1aqq n ASN 16 N -3.69 0.00 -4.51 0.86 5.03 -0.20 -4.96 115.26 107.78 1aqq n ASN 16 Ca -0.02 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.02 1aqq n ASN 16 Cb 0.25 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.93 1aqq n ASN 16 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1aqq n ASN 17 N -2.49 1.74 -0.10 6.41 2.85 -0.40 -4.73 115.26 118.53 1aqq n ASN 17 Ca 0.00 -0.07 0.03 0.00 -0.11 0.00 0.00 54.58 54.43 1aqq n ASN 17 Cb 0.00 -1.32 0.13 0.00 1.24 0.00 0.00 39.78 39.83 1aqq n ASN 17 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1aqq n GLU 18 N 8.66 1.13 0.26 1.20 0.28 -1.26 -3.51 120.64 127.39 1aqq n GLU 18 Ca 0.46 -0.19 0.15 0.00 -0.16 0.00 0.00 57.16 57.41 1aqq n GLU 18 Cb 0.32 -1.10 0.55 0.00 1.43 0.00 0.00 31.44 32.64 1aqq n GLU 18 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1aqq h GLN 19 N 0.33 0.00 -0.12 3.44 4.15 -1.85 -2.98 115.11 118.08 1aqq h GLN 19 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1aqq h GLN 19 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1aqq h GLN 19 CO 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 178.83 176.95 1aqq n GLN 21 N 0.27 2.03 0.05 0.00 10.64 -1.12 -4.01 117.38 125.23 1aqq n GLN 21 Ca 0.06 -1.19 -0.03 0.00 -1.83 0.00 0.00 57.00 54.00 1aqq n GLN 21 Cb 0.27 -1.44 -0.02 0.00 -0.86 0.00 0.00 30.24 28.20 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 1.78 -0.21 -0.56 2.61 6.56 -1.79 -3.40 116.57 121.55 1aqq h LYS 22 Ca 0.00 0.01 -0.30 0.00 -1.06 0.00 0.00 60.65 59.30 1aqq h LYS 22 Cb 0.65 0.05 -0.25 0.00 -0.57 0.00 0.00 32.23 32.11 1aqq h LYS 22 CO 0.07 -0.14 -0.72 0.43 -2.06 0.00 0.00 179.45 177.02 1aqq n SER 23 N -4.58 -0.68 -4.70 0.86 7.64 -1.26 -4.96 113.62 105.94 1aqq n SER 23 Ca -0.03 -2.86 -0.42 0.00 1.01 0.00 0.00 58.87 56.57 1aqq n SER 23 Cb 0.09 0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 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 4.62 0.69 -4.48 0.00 3.41 -1.26 -4.18 113.62 112.42 1aqq n SER 25 Ca 0.08 -1.77 -0.48 0.00 -0.26 0.00 0.00 58.87 56.44 1aqq n SER 25 Cb 0.49 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1aqq n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqq s PRO 27 N 6.55 2.20 0.00 0.00 0.04 -1.26 -4.58 135.00 137.95 1aqq s PRO 27 Ca 1.09 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1aqq s PRO 27 Cb -0.75 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1aqq s PRO 27 CO 0.45 -3.47 0.18 0.25 0.04 0.00 0.00 177.00 174.46 1aqq n THR 28 N 7.98 0.00 -0.23 1.26 -2.24 -1.26 -2.80 114.28 116.99 1aqq n THR 28 Ca 0.36 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1aqq n THR 28 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.14 0.23 3.59 3.38 0.00 -1.26 -5.10 105.19 107.16 1aqq n GLY 29 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 7.75 0.47 -4.60 0.00 3.02 -1.26 -2.90 115.26 117.75 1aqq n ASN 31 Ca 0.32 -1.17 -0.25 0.00 -0.03 0.00 0.00 54.58 53.45 1aqq n ASN 31 Cb 0.22 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aqq s SER 32 N -0.17 4.37 0.02 6.41 0.01 -1.26 -4.93 113.70 118.15 1aqq s SER 32 Ca 0.00 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 1aqq s SER 32 Cb 0.00 -0.77 -0.27 0.00 0.21 0.00 0.00 66.02 65.19 1aqq s SER 32 CO 0.00 0.06 0.93 -2.24 0.41 0.00 0.00 173.24 172.40 1aqq h ASP 33 N 2.45 0.37 -0.50 2.44 3.04 -1.97 -3.29 116.42 118.95 1aqq h ASP 33 Ca -0.45 -0.48 -0.22 0.00 -3.24 0.00 0.00 57.03 52.64 1aqq h ASP 33 Cb 1.23 -0.12 -0.13 0.00 -1.04 0.00 0.00 39.33 39.27 1aqq h ASP 33 CO 0.57 1.39 0.28 0.47 -2.04 0.00 0.00 179.24 179.91 1aqq n ASP 34 N -3.45 3.49 -1.33 4.15 8.00 -1.26 -3.20 116.55 122.95 1aqq n ASP 34 Ca -0.14 -2.81 0.04 0.00 0.71 0.00 0.00 54.79 52.59 1aqq n ASP 34 Cb 1.03 -0.67 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.23 0.26 -3.23 -1.24 3.00 -1.24 -4.88 118.16 110.60 1aqq n LYS 35 Ca 0.29 -2.19 -0.24 0.00 -0.00 0.00 0.00 58.31 56.17 1aqq n LYS 35 Cb 1.07 -0.27 -0.07 0.00 0.00 0.00 0.00 35.03 35.75 1aqq n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aqq n PRO 37 N 1.15 1.51 -2.98 0.00 -0.04 -1.26 -4.88 135.00 128.50 1aqq n PRO 37 Ca 0.23 -1.03 -0.38 0.00 -0.04 0.00 0.00 63.50 62.28 1aqq n PRO 37 Cb 0.51 -1.41 -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 1.20 -0.21 0.00 0.00 0.00 -1.26 -5.08 105.19 99.84 1aqq n GLY 39 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48