#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n LYS 2 N 0.00 0.81 -0.28 2.12 4.81 -1.26 -4.91 118.16 119.46 3df4 n LYS 2 Ca 0.00 0.07 -0.31 0.00 -0.87 0.00 0.00 58.31 57.20 3df4 n LYS 2 Cb 0.00 -2.76 0.30 0.00 0.02 0.00 0.00 35.03 32.58 3df4 n LYS 2 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3df4 s ARG 3 N 8.07 -3.40 -1.05 1.64 1.81 -1.26 -4.92 118.95 119.84 3df4 s ARG 3 Ca 1.10 0.06 -0.03 0.00 -1.72 0.00 0.00 55.73 55.15 3df4 s ARG 3 Cb -0.58 -1.33 0.31 0.00 -0.45 0.00 0.00 34.95 32.90 3df4 s ARG 3 CO 0.36 -5.17 1.52 -2.37 -0.68 0.00 0.00 175.30 168.97 3df4 n THR 4 N -5.83 5.36 0.00 0.02 5.66 -1.26 -4.83 114.28 113.40 3df4 n THR 4 Ca 0.14 -5.92 0.00 0.00 -3.05 0.00 0.00 64.05 55.22 3df4 n THR 4 Cb 0.61 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.43 3df4 n THR 4 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3df4 n PHE 5 N 0.99 0.00 -3.82 1.09 -0.00 -1.26 -5.11 117.46 109.34 3df4 n PHE 5 Ca 0.30 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.46 3df4 n PHE 5 Cb 0.32 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.67 3df4 n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3df4 s GLN 6 N 0.00 1.63 0.27 -4.13 -1.52 -1.26 -5.11 119.66 109.55 3df4 s GLN 6 Ca 0.00 -2.32 -0.29 0.00 -1.95 0.00 0.00 55.36 50.80 3df4 s GLN 6 Cb 0.00 -2.81 -0.14 0.00 -0.22 0.00 0.00 33.01 29.84 3df4 s GLN 6 CO 0.00 -1.14 1.06 -0.35 -0.25 0.00 0.00 175.29 174.61 3df4 n PRO 7 N 3.30 1.40 -3.20 2.91 -0.04 -1.26 -5.00 135.00 133.11 3df4 n PRO 7 Ca 0.07 0.49 -0.07 0.00 -0.04 0.00 0.00 63.50 63.95 3df4 n PRO 7 Cb 0.33 -1.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3df4 n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3df4 s SER 8 N -0.43 -0.48 0.29 3.54 0.15 -1.26 -5.03 113.70 110.49 3df4 s SER 8 Ca 0.61 -1.33 0.16 0.00 0.70 0.00 0.00 55.95 56.08 3df4 s SER 8 Cb -0.71 1.36 1.04 0.00 -1.71 0.00 0.00 66.02 66.00 3df4 s SER 8 CO 0.58 -0.18 1.25 0.55 1.20 0.00 0.00 173.24 176.65 3df4 n VAL 9 N 4.02 -0.33 0.28 4.45 3.14 -1.26 0.12 118.33 128.76 3df4 n VAL 9 Ca 0.13 1.62 -0.16 0.00 -2.96 0.00 0.00 64.34 62.98 3df4 n VAL 9 Cb 0.52 -2.62 -0.08 0.00 -1.06 0.00 0.00 33.84 30.60 3df4 n VAL 9 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3df4 h LEU 10 N 0.00 -0.59 0.47 6.55 7.12 -1.98 -1.21 115.31 125.67 3df4 h LEU 10 Ca 0.66 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.63 3df4 h LEU 10 Cb 1.73 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 42.00 3df4 h LEU 10 CO -0.62 -0.34 -0.39 0.11 -0.13 0.00 0.00 178.44 177.07 3df4 h LYS 11 N -0.81 -0.81 -0.38 1.25 1.57 -0.74 -2.61 116.57 114.05 3df4 h LYS 11 Ca -0.07 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3df4 h LYS 11 Cb 0.58 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 3df4 h LYS 11 CO 0.12 -0.54 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.08 3df4 h ARG 12 N -0.84 -0.07 -0.06 3.15 2.43 -1.32 0.33 114.38 117.99 3df4 h ARG 12 Ca -0.06 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3df4 h ARG 12 Cb 0.70 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3df4 h ARG 12 CO -0.00 -0.05 0.32 -0.91 -1.51 0.00 0.00 179.97 177.82 3df4 h ASN 13 N -0.08 0.00 -0.02 -3.80 -0.26 -1.24 0.97 115.58 111.16 3df4 h ASN 13 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3df4 h ASN 13 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3df4 h ASN 13 CO -0.40 0.00 -0.04 -2.11 -1.06 0.00 0.00 177.43 173.82 3df4 n ARG 14 N -3.05 1.02 -0.07 0.81 1.85 0.11 -2.76 116.66 114.57 3df4 n ARG 14 Ca -0.01 -1.20 -0.05 0.00 -1.00 0.00 0.00 57.85 55.59 3df4 n ARG 14 Cb 0.39 -1.24 -0.12 0.00 -1.05 0.00 0.00 32.46 30.44 3df4 n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3df4 n SER 15 N 0.60 1.29 -0.47 2.89 7.64 0.93 -4.66 113.62 121.84 3df4 n SER 15 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3df4 n SER 15 Cb 0.32 0.98 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 3df4 n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3df4 n HIS 16 N -2.49 0.00 -2.64 1.43 8.25 -0.25 -4.99 115.22 114.52 3df4 n HIS 16 Ca -0.22 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.86 3df4 n HIS 16 Cb 0.92 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.94 3df4 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3df4 s GLY 17 N -0.91 2.91 0.37 -1.41 0.00 -1.11 -4.40 107.32 102.76 3df4 s GLY 17 Ca 0.00 0.67 0.18 0.00 0.00 0.00 0.00 44.72 45.57 3df4 s GLY 17 CO 0.00 1.18 1.67 -2.75 0.00 0.00 0.00 173.10 173.20 3df4 h PHE 18 N 3.34 0.82 0.00 1.90 3.04 -1.83 0.20 116.94 124.41 3df4 h PHE 18 Ca -0.47 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.51 3df4 h PHE 18 Cb 1.20 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.50 3df4 h PHE 18 CO 0.60 -0.14 0.00 -2.13 -2.02 0.00 0.00 178.31 174.61 3df4 n ARG 19 N -4.92 0.00 0.07 1.11 0.00 -1.26 -2.07 116.66 109.59 3df4 n ARG 19 Ca 0.32 0.31 0.04 0.00 -0.00 0.00 0.00 57.85 58.52 3df4 n ARG 19 Cb 1.05 -1.24 0.22 0.00 0.00 0.00 0.00 32.46 32.49 3df4 n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df4 n ALA 20 N -1.32 0.93 1.97 5.13 0.00 -1.03 0.71 120.51 126.90 3df4 n ALA 20 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3df4 n ALA 20 Cb 0.00 -1.03 0.68 0.00 0.00 0.00 0.00 19.45 19.10 3df4 n ALA 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3df4 n ARG 21 N -1.77 1.03 -0.02 0.00 0.63 0.69 -2.55 116.66 114.67 3df4 n ARG 21 Ca -0.01 -0.05 0.01 0.00 -0.92 0.00 0.00 57.85 56.88 3df4 n ARG 21 Cb 0.07 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 3df4 n ARG 21 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3df4 n MET 22 N -0.81 1.25 -0.37 -0.14 2.81 0.22 -2.57 117.12 117.52 3df4 n MET 22 Ca 0.18 -0.05 0.05 0.00 -1.81 0.00 0.00 57.70 56.07 3df4 n MET 22 Cb 0.09 -1.19 0.20 0.00 -0.71 0.00 0.00 33.22 31.61 3df4 n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3df4 h ALA 23 N 0.60 1.45 -1.20 3.04 0.00 -1.47 -3.44 119.26 118.24 3df4 h ALA 23 Ca -0.08 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 3df4 h ALA 23 Cb 0.81 -0.26 0.09 0.00 0.00 0.00 0.00 17.79 18.42 3df4 h ALA 23 CO 0.00 0.34 0.12 0.95 0.00 0.00 0.00 179.25 180.67 3df4 s THR 24 N -6.00 2.03 -0.13 0.00 -4.23 -1.26 -5.06 115.64 100.99 3df4 s THR 24 Ca -0.12 -0.60 -0.08 0.00 -1.18 0.00 0.00 61.69 59.71 3df4 s THR 24 Cb 0.21 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 3df4 s THR 24 CO 0.81 0.00 -0.00 0.50 -0.54 0.00 0.00 174.62 175.39 3df4 h LYS 25 N -0.62 0.00 -0.32 3.99 1.63 -1.93 -3.34 116.57 115.98 3df4 h LYS 25 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 3df4 h LYS 25 Cb 1.26 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.87 3df4 h LYS 25 CO 0.37 0.16 0.20 -0.91 -3.45 0.00 0.00 179.45 175.83 3df4 h ASN 26 N -1.00 0.36 -0.91 4.20 4.21 -1.96 -1.25 115.58 119.23 3df4 h ASN 26 Ca -0.03 -0.01 0.10 0.00 1.21 0.00 0.00 56.30 57.57 3df4 h ASN 26 Cb 0.41 -0.09 -0.08 0.00 -1.12 0.00 0.00 38.32 37.44 3df4 h ASN 26 CO -0.02 0.27 0.55 1.23 -1.29 0.00 0.00 177.43 178.17 3df4 h GLY 27 N 0.44 1.45 1.50 2.83 0.00 -1.76 0.76 103.07 108.28 3df4 h GLY 27 Ca 0.12 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 3df4 h GLY 27 CO -0.02 0.16 -0.70 -0.09 0.00 0.00 0.00 176.54 175.88 3df4 h ARG 28 N 0.91 0.50 0.00 4.80 2.43 -0.99 -1.52 114.38 120.50 3df4 h ARG 28 Ca 0.44 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3df4 h ARG 28 Cb 0.40 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3df4 h ARG 28 CO -0.25 1.01 0.00 0.94 -1.51 0.00 0.00 179.97 180.16 3df4 n GLN 29 N -3.88 0.11 -0.07 0.20 7.27 0.45 -2.12 117.38 119.34 3df4 n GLN 29 Ca -0.05 0.41 -0.09 0.00 0.07 0.00 0.00 57.00 57.34 3df4 n GLN 29 Cb 0.69 -1.73 -0.05 0.00 2.41 0.00 0.00 30.24 31.56 3df4 n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3df4 h VAL 30 N 0.00 0.43 -0.98 1.69 2.07 0.13 -2.29 116.25 117.31 3df4 h VAL 30 Ca 0.00 -1.44 0.20 0.00 0.82 0.00 0.00 66.70 66.28 3df4 h VAL 30 Cb 0.24 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 3df4 h VAL 30 CO 0.00 0.15 0.61 -0.07 0.02 0.00 0.00 177.57 178.28 3df4 h LEU 31 N -1.00 0.67 -0.42 2.57 3.38 -1.18 0.82 115.31 120.14 3df4 h LEU 31 Ca -0.08 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3df4 h LEU 31 Cb 0.63 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3df4 h LEU 31 CO -0.05 0.24 -0.74 0.00 0.09 0.00 0.00 178.44 177.98 3df4 h ALA 32 N 1.63 0.63 -0.73 1.53 0.00 -1.57 0.34 119.26 121.08 3df4 h ALA 32 Ca 0.55 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3df4 h ALA 32 Cb 1.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3df4 h ALA 32 CO -0.31 0.79 0.44 -0.09 0.00 0.00 0.00 179.25 180.08 3df4 h ARG 33 N 0.21 0.81 0.12 0.00 9.65 0.11 -1.28 114.38 124.01 3df4 h ARG 33 Ca -0.03 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.62 3df4 h ARG 33 Cb 1.32 -0.18 0.02 0.00 -1.39 0.00 0.00 29.97 29.74 3df4 h ARG 33 CO 0.12 0.54 -0.79 0.00 2.80 0.00 0.00 179.97 182.64 3df4 h ARG 34 N 0.84 0.32 -1.10 0.20 3.08 -0.69 -3.03 114.38 114.00 3df4 h ARG 34 Ca 0.31 -0.51 0.30 0.00 0.07 0.00 0.00 59.98 60.15 3df4 h ARG 34 Cb 0.10 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 3df4 h ARG 34 CO -0.14 1.23 0.73 0.00 -1.07 0.00 0.00 179.97 180.72 3df4 h ARG 35 N -0.33 0.25 0.26 0.04 3.08 -0.00 0.39 114.38 118.07 3df4 h ARG 35 Ca -0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3df4 h ARG 35 Cb 1.60 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3df4 h ARG 35 CO 0.15 0.17 -0.12 0.00 -1.07 0.00 0.00 179.97 179.09 3df4 h ALA 36 N 1.56 -0.35 -0.64 0.04 0.00 -1.31 -3.06 119.26 115.51 3df4 h ALA 36 Ca 0.60 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.54 3df4 h ALA 36 Cb 1.79 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 3df4 h ALA 36 CO -0.23 -0.36 0.86 -0.22 0.00 0.00 0.00 179.25 179.30 3df4 h LYS 37 N -1.02 0.00 0.00 0.00 1.63 -0.67 -3.43 116.57 113.08 3df4 h LYS 37 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3df4 h LYS 37 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3df4 h LYS 37 CO 0.06 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.47 3df4 n GLY 38 N -1.58 0.85 3.65 5.01 0.00 0.11 -5.01 105.19 108.22 3df4 n GLY 38 Ca 0.13 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3df4 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df4 n ARG 39 N -1.17 1.78 0.00 1.61 3.00 -0.80 -4.96 116.66 116.12 3df4 n ARG 39 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 3df4 n ARG 39 Cb 0.31 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.60 3df4 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df4 n ALA 40 N 0.91 -0.06 -2.75 5.13 0.00 -1.26 -4.42 120.51 118.07 3df4 n ALA 40 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 3df4 n ALA 40 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 3df4 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3df4 s ARG 41 N -0.92 3.90 0.00 0.00 0.52 -1.26 -4.92 118.95 116.26 3df4 s ARG 41 Ca 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.20 3df4 s ARG 41 Cb 0.00 -5.26 0.00 0.00 0.52 0.00 0.00 34.95 30.21 3df4 s ARG 41 CO 0.00 -2.01 0.20 -0.11 0.02 0.00 0.00 175.30 173.39 3df4 n LEU 42 N 7.28 0.00 -3.67 2.53 -0.00 -1.26 -4.53 117.00 117.35 3df4 n LEU 42 Ca 0.38 0.20 -0.11 0.00 -0.00 0.00 0.00 56.01 56.48 3df4 n LEU 42 Cb 0.46 -0.03 -0.12 0.00 -0.00 0.00 0.00 43.42 43.74 3df4 n LEU 42 CO 0.66 -0.03 -0.05 0.42 -0.00 0.00 0.00 177.39 178.39 3df4 s THR 43 N -1.32 -0.41 0.00 1.96 -4.23 -1.26 -4.98 115.64 105.39 3df4 s THR 43 Ca 0.00 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3df4 s THR 43 Cb 0.00 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.30 3df4 s THR 43 CO 0.00 0.08 0.00 0.52 -0.54 0.00 0.00 174.62 174.68 3df4 n VAL 44 N 5.10 0.00 0.00 2.29 0.31 -1.26 -4.16 118.33 120.60 3df4 n VAL 44 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3df4 n VAL 44 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3df4 n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3df4 n SER 45 N 0.57 0.00 0.00 4.52 3.41 -1.26 -4.68 113.62 116.17 3df4 n SER 45 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3df4 n SER 45 Cb 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3df4 n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05