#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 3.01 -1.90 1.69 4.13 -1.26 -4.25 115.26 116.68 1aqq n ASN 2 Ca 0.00 -2.42 -0.19 0.00 1.68 0.00 0.00 54.58 53.65 1aqq n ASN 2 Cb 0.00 -0.59 0.08 0.00 -1.54 0.00 0.00 39.78 37.73 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 0.20 1.93 -1.51 3.52 0.28 -1.26 -4.38 120.64 119.41 1aqq n GLU 3 Ca 0.13 -1.97 -0.33 0.00 -0.16 0.00 0.00 57.16 54.84 1aqq n GLU 3 Cb 0.69 -1.77 0.03 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.25 5.21 1.00 -1.84 0.00 -1.26 -4.30 105.19 103.75 1aqq n GLY 4 Ca 0.38 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.26 0.03 -3.32 1.61 1.44 -1.26 -5.12 115.22 108.35 1aqq n HIS 5 Ca 0.52 -0.78 -0.38 0.00 -2.01 0.00 0.00 57.72 55.07 1aqq n HIS 5 Cb 0.47 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 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 -2.46 4.33 -0.36 -1.40 2.02 -1.26 -4.94 118.70 114.62 1aqq s GLU 6 Ca 0.06 0.43 -0.39 0.00 0.02 0.00 0.00 54.97 55.09 1aqq s GLU 6 Cb 0.00 -3.44 -0.15 0.00 0.10 0.00 0.00 34.13 30.64 1aqq s GLU 6 CO 0.04 0.14 2.00 0.00 0.02 0.00 0.00 175.26 177.46 1aqq n GLN 8 N 6.89 1.93 -2.54 0.00 7.27 -1.26 -4.84 117.38 124.83 1aqq n GLN 8 Ca 0.38 -3.16 -0.41 0.00 0.07 0.00 0.00 57.00 53.89 1aqq n GLN 8 Cb 0.13 -1.91 -0.04 0.00 2.41 0.00 0.00 30.24 30.83 1aqq n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1aqq n GLN 10 N 2.73 2.47 0.00 0.00 1.13 -1.18 -2.86 117.38 119.67 1aqq n GLN 10 Ca 0.04 -1.39 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 1aqq n GLN 10 Cb 0.47 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1aqq n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aqq n GLY 12 N 3.56 -0.54 0.10 0.00 0.00 -1.26 -3.71 105.19 103.34 1aqq n GLY 12 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.19 0.00 1.61 0.87 -1.94 -3.34 113.55 110.94 1aqq h SER 13 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1aqq h SER 13 Cb 0.54 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1aqq h SER 13 CO 0.00 1.35 -0.41 0.00 -0.53 0.00 0.00 176.83 177.24 1aqq n LYS 15 N -4.36 0.01 0.01 0.00 2.85 -1.14 -3.56 118.16 111.97 1aqq n LYS 15 Ca -0.06 1.02 0.00 0.00 -1.05 0.00 0.00 58.31 58.22 1aqq n LYS 15 Cb 0.22 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.15 1aqq n LYS 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1aqq n ASN 16 N -3.52 0.18 -4.44 -5.58 2.85 -1.25 -4.98 115.26 98.52 1aqq n ASN 16 Ca 0.33 0.03 -0.49 0.00 -0.11 0.00 0.00 54.58 54.34 1aqq n ASN 16 Cb 1.73 -0.05 -0.08 0.00 1.24 0.00 0.00 39.78 42.62 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 -2.68 1.75 0.00 1.20 2.85 -0.65 -4.73 115.26 112.99 1aqq n ASN 17 Ca 0.00 0.31 0.07 0.00 -0.11 0.00 0.00 54.58 54.85 1aqq n ASN 17 Cb 0.00 -1.21 0.42 0.00 1.24 0.00 0.00 39.78 40.23 1aqq n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1aqq n GLU 18 N 8.25 0.92 0.21 1.20 1.02 -1.26 -3.34 120.64 127.64 1aqq n GLU 18 Ca 0.46 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.67 1aqq n GLU 18 Cb 0.21 -1.24 0.47 0.00 -0.02 0.00 0.00 31.44 30.86 1aqq n GLU 18 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1aqq h GLN 19 N 0.00 0.00 -0.25 3.49 4.20 -1.88 -2.53 115.11 118.15 1aqq h GLN 19 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aqq h GLN 19 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1aqq h GLN 19 CO 0.00 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 1aqq n GLN 21 N 0.67 1.67 -0.08 0.00 6.02 -0.95 -4.08 117.38 120.62 1aqq n GLN 21 Ca 0.11 -1.40 -0.09 0.00 -0.01 0.00 0.00 57.00 55.61 1aqq n GLN 21 Cb 0.40 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 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 -0.22 0.48 -2.78 -1.09 5.02 -1.25 -4.59 118.16 113.73 1aqq n LYS 22 Ca 0.27 0.52 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1aqq n LYS 22 Cb 1.02 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 34.41 1aqq n LYS 22 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1aqq n SER 23 N -4.57 -1.22 -4.68 4.39 7.64 0.13 -4.93 113.62 110.38 1aqq n SER 23 Ca -0.13 -3.04 -0.40 0.00 1.01 0.00 0.00 58.87 56.30 1aqq n SER 23 Cb 0.37 0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 64.43 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 4.74 0.18 -4.59 0.00 2.88 -1.26 -4.25 113.62 111.32 1aqq n SER 25 Ca 0.01 -1.12 -0.50 0.00 -1.33 0.00 0.00 58.87 55.93 1aqq n SER 25 Cb 0.50 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.81 1aqq n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aqq s PRO 27 N 5.09 2.35 0.00 0.00 0.04 -1.26 -4.63 135.00 136.60 1aqq s PRO 27 Ca 1.01 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1aqq s PRO 27 Cb -0.76 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1aqq s PRO 27 CO 0.51 -3.14 0.18 0.25 0.04 0.00 0.00 177.00 174.84 1aqq n THR 28 N 7.68 0.00 -0.53 1.26 -2.24 -1.26 -2.72 114.28 116.48 1aqq n THR 28 Ca 0.30 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1aqq n THR 28 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.23 0.53 3.52 3.38 0.00 -1.26 -5.06 105.19 107.52 1aqq n GLY 29 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 12.20 0.86 -4.35 0.00 5.03 -1.26 -3.08 115.26 124.66 1aqq n ASN 31 Ca 0.57 0.13 -0.46 0.00 0.87 0.00 0.00 54.58 55.68 1aqq n ASN 31 Cb 0.20 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.57 1aqq n ASN 31 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1aqq s SER 32 N -5.46 6.59 -0.42 6.41 1.04 -1.26 -4.71 113.70 115.90 1aqq s SER 32 Ca -0.06 -2.31 0.06 0.00 0.48 0.00 0.00 55.95 54.12 1aqq s SER 32 Cb 0.01 -2.25 0.21 0.00 0.10 0.00 0.00 66.02 64.08 1aqq s SER 32 CO 0.09 -0.76 0.50 0.47 0.98 0.00 0.00 173.24 174.52 1aqq n ASP 33 N 4.85 -0.77 -1.27 7.02 9.92 -1.26 -4.92 116.55 130.11 1aqq n ASP 33 Ca 0.09 -2.63 -0.05 0.00 -0.53 0.00 0.00 54.79 51.67 1aqq n ASP 33 Cb 0.46 -0.13 0.08 0.00 -0.64 0.00 0.00 41.12 40.89 1aqq n ASP 33 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1aqq n ASP 34 N 2.21 3.04 -1.76 -2.24 2.03 -1.26 -2.67 116.55 115.90 1aqq n ASP 34 Ca 0.24 -2.46 -0.00 0.00 0.52 0.00 0.00 54.79 53.08 1aqq n ASP 34 Cb 0.52 -0.60 0.07 0.00 -0.72 0.00 0.00 41.12 40.39 1aqq n ASP 34 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1aqq n LYS 35 N 0.03 1.25 -3.90 -0.67 4.81 -1.26 -4.92 118.16 113.50 1aqq n LYS 35 Ca 0.17 -2.95 -0.28 0.00 -0.87 0.00 0.00 58.31 54.38 1aqq n LYS 35 Cb 0.79 -1.05 -0.12 0.00 0.02 0.00 0.00 35.03 34.67 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 2.02 2.18 -2.21 0.00 -0.04 -1.26 -4.94 135.00 130.75 1aqq n PRO 37 Ca 0.19 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.95 1aqq n PRO 37 Cb 0.35 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.30 -0.44 0.00 0.00 0.00 -1.26 -4.85 105.19 99.94 1aqq n GLY 39 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1aqq n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48