#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 5.86 -2.12 1.08 4.13 -1.26 -4.46 115.26 118.49 1aqq n ASN 2 Ca 0.00 -2.79 -0.25 0.00 1.68 0.00 0.00 54.58 53.23 1aqq n ASN 2 Cb 0.00 -1.23 0.11 0.00 -1.54 0.00 0.00 39.78 37.12 1aqq n ASN 2 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1aqq n GLU 3 N 1.39 2.23 -1.64 3.52 0.28 -1.26 -4.54 120.64 120.62 1aqq n GLU 3 Ca 0.33 -2.66 -0.31 0.00 -0.16 0.00 0.00 57.16 54.36 1aqq n GLU 3 Cb 0.66 -2.04 -0.04 0.00 1.43 0.00 0.00 31.44 31.44 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 -0.74 4.59 1.62 -1.84 0.00 -1.26 -4.15 105.19 103.41 1aqq n GLY 4 Ca 0.52 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 1.15 -0.44 -3.24 1.61 1.44 -1.26 -5.12 115.22 109.36 1aqq n HIS 5 Ca 0.53 -1.40 -0.39 0.00 -2.01 0.00 0.00 57.72 54.45 1aqq n HIS 5 Cb 0.47 0.16 -0.06 0.00 0.12 0.00 0.00 29.99 30.67 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 -2.66 4.23 -0.38 -1.40 1.03 -1.26 -4.72 118.70 113.53 1aqq s GLU 6 Ca 0.20 0.46 -0.41 0.00 0.03 0.00 0.00 54.97 55.24 1aqq s GLU 6 Cb 0.01 -3.53 -0.16 0.00 -0.80 0.00 0.00 34.13 29.65 1aqq s GLU 6 CO 0.14 -0.08 1.91 0.00 -1.33 0.00 0.00 175.26 175.90 1aqq n GLN 8 N 6.27 2.28 0.00 0.00 6.02 -1.26 -4.93 117.38 125.76 1aqq n GLN 8 Ca 0.37 -3.49 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 1aqq n GLN 8 Cb 0.08 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.43 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 0.00 0.00 -2.23 0.00 6.02 -1.26 -4.65 117.38 115.26 1aqq n GLN 10 Ca 0.00 -0.37 -0.26 0.00 -0.01 0.00 0.00 57.00 56.36 1aqq n GLN 10 Cb 0.00 -0.26 0.11 0.00 1.02 0.00 0.00 30.24 31.11 1aqq n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aqq h GLY 12 N -0.85 0.00 1.04 0.00 0.00 -1.99 0.23 103.07 101.49 1aqq h GLY 12 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.65 1aqq h GLY 12 CO 0.49 0.00 -1.06 1.76 0.00 0.00 0.00 176.54 177.73 1aqq h SER 13 N 0.00 0.73 0.00 0.19 0.02 -1.92 -1.79 113.55 110.78 1aqq h SER 13 Ca 0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1aqq h SER 13 Cb 0.54 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1aqq h SER 13 CO 0.00 1.51 -0.49 0.00 -1.14 0.00 0.00 176.83 176.71 1aqq h LYS 15 N -0.90 0.10 0.00 0.00 2.10 -0.75 -3.35 116.57 113.77 1aqq h LYS 15 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1aqq h LYS 15 Cb 0.49 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1aqq h LYS 15 CO 0.00 0.07 0.00 -1.71 -2.00 0.00 0.00 179.45 175.81 1aqq n ASN 16 N -4.91 0.62 -4.52 7.07 2.85 -1.20 -4.96 115.26 110.20 1aqq n ASN 16 Ca 0.37 0.12 -0.40 0.00 -0.11 0.00 0.00 54.58 54.56 1aqq n ASN 16 Cb 1.32 -0.15 -0.09 0.00 1.24 0.00 0.00 39.78 42.09 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 -3.16 1.30 -0.13 1.20 5.15 -0.68 -4.71 115.26 114.24 1aqq n ASN 17 Ca 0.00 -0.11 0.01 0.00 -0.60 0.00 0.00 54.58 53.88 1aqq n ASN 17 Cb 0.00 -1.24 0.05 0.00 -0.53 0.00 0.00 39.78 38.06 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 8.70 1.16 0.08 1.20 0.28 -1.26 -3.63 120.64 127.17 1aqq n GLU 18 Ca 0.52 -0.25 -0.08 0.00 -0.16 0.00 0.00 57.16 57.19 1aqq n GLU 18 Cb 0.27 -1.06 0.02 0.00 1.43 0.00 0.00 31.44 32.10 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 0.41 0.22 -0.25 3.44 1.08 -1.84 -3.21 115.11 114.95 1aqq h GLN 19 Ca 0.00 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1aqq h GLN 19 Cb 0.09 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1aqq h GLN 19 CO 0.00 0.92 0.00 0.00 -0.95 0.00 0.00 178.83 178.80 1aqq n GLN 21 N 0.15 1.59 -0.05 0.00 6.02 -1.21 -3.79 117.38 120.09 1aqq n GLN 21 Ca 0.09 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 1aqq n GLN 21 Cb 0.41 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1aqq n GLN 21 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1aqq n LYS 22 N 0.04 0.40 -1.66 -1.09 4.76 -1.26 -2.76 118.16 116.59 1aqq n LYS 22 Ca 0.06 -0.71 -0.05 0.00 -2.87 0.00 0.00 58.31 54.74 1aqq n LYS 22 Cb 0.29 -0.58 0.01 0.00 -1.84 0.00 0.00 35.03 32.91 1aqq n LYS 22 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1aqq n SER 23 N -0.09 -1.17 -4.56 4.39 7.64 -1.25 -4.80 113.62 113.79 1aqq n SER 23 Ca 0.00 -2.07 -0.35 0.00 1.01 0.00 0.00 58.87 57.46 1aqq n SER 23 Cb 0.49 0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 64.03 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 4.15 1.00 -4.53 0.00 3.41 -1.26 -4.20 113.62 112.20 1aqq n SER 25 Ca -0.16 -1.79 -0.52 0.00 -0.26 0.00 0.00 58.87 56.14 1aqq n SER 25 Cb 0.52 -0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 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 5.43 2.22 0.00 0.00 0.04 -1.26 -4.59 135.00 136.84 1aqq s PRO 27 Ca 1.05 0.33 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1aqq s PRO 27 Cb -0.87 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 28.87 1aqq s PRO 27 CO 0.52 -3.57 0.15 0.25 0.04 0.00 0.00 177.00 174.40 1aqq n THR 28 N 8.05 0.00 -0.49 1.26 -2.24 -1.26 -2.78 114.28 116.81 1aqq n THR 28 Ca 0.38 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1aqq n THR 28 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.04 0.49 3.66 3.38 0.00 -1.26 -5.08 105.19 107.42 1aqq n GLY 29 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 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 4.19 0.00 -4.51 0.00 2.85 -1.26 -4.28 115.26 112.25 1aqq n ASN 31 Ca 0.24 -1.38 -0.26 0.00 -0.11 0.00 0.00 54.58 53.07 1aqq n ASN 31 Cb 0.14 -0.08 -0.10 0.00 1.24 0.00 0.00 39.78 40.99 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1aqq s SER 32 N -0.38 3.15 -0.14 1.20 0.15 -1.26 -5.05 113.70 111.37 1aqq s SER 32 Ca 0.00 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1aqq s SER 32 Cb 0.00 -0.04 -0.24 0.00 -1.71 0.00 0.00 66.02 64.03 1aqq s SER 32 CO 0.00 -0.62 0.28 -0.67 1.20 0.00 0.00 173.24 173.43 1aqq n ASP 33 N -0.93 1.71 -1.65 5.45 -0.08 -1.26 -4.07 116.55 115.73 1aqq n ASP 33 Ca -0.06 0.16 -0.11 0.00 -1.51 0.00 0.00 54.79 53.28 1aqq n ASP 33 Cb 0.67 -0.49 0.13 0.00 2.34 0.00 0.00 41.12 43.76 1aqq n ASP 33 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1aqq n ASP 34 N -3.30 3.49 -1.40 1.67 -0.08 -1.26 -3.23 116.55 112.44 1aqq n ASP 34 Ca -0.32 -2.87 0.04 0.00 -1.51 0.00 0.00 54.79 50.13 1aqq n ASP 34 Cb 1.05 -0.68 0.06 0.00 2.34 0.00 0.00 41.12 43.88 1aqq n ASP 34 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1aqq n LYS 35 N -0.33 0.40 -3.43 -0.67 3.00 -1.26 -4.89 118.16 110.99 1aqq n LYS 35 Ca 0.32 -2.33 -0.26 0.00 -0.00 0.00 0.00 58.31 56.04 1aqq n LYS 35 Cb 1.12 -0.39 -0.09 0.00 0.00 0.00 0.00 35.03 35.67 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 2.05 2.05 -0.01 0.00 -0.04 -1.26 -4.45 135.00 133.33 1aqq n PRO 37 Ca 0.26 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1aqq n PRO 37 Cb 0.46 -1.87 0.01 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.40 2.65 0.29 0.00 0.00 -1.26 -5.01 105.19 102.26 1aqq n GLY 39 Ca 0.01 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.92 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48