#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 2 N 0.00 0.42 -1.71 2.12 4.81 -1.26 -4.94 118.16 117.61 3i20 n LYS 2 Ca 0.00 0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 3i20 n LYS 2 Cb 0.00 -2.13 0.20 0.00 0.02 0.00 0.00 35.03 33.12 3i20 n LYS 2 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i20 s ARG 3 N 8.09 0.22 0.09 1.64 1.81 -1.26 -4.99 118.95 124.55 3i20 s ARG 3 Ca 1.21 -0.29 0.24 0.00 -1.72 0.00 0.00 55.73 55.17 3i20 s ARG 3 Cb -0.95 -1.79 0.39 0.00 -0.45 0.00 0.00 34.95 32.15 3i20 s ARG 3 CO 0.45 -2.71 1.34 0.25 -0.68 0.00 0.00 175.30 173.95 3i20 n THR 4 N -4.00 0.28 -3.33 0.02 -2.24 -1.26 -4.64 114.28 99.10 3i20 n THR 4 Ca 0.14 -0.22 -0.47 0.00 -2.27 0.00 0.00 64.05 61.24 3i20 n THR 4 Cb 0.59 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3i20 n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i20 s PHE 5 N -3.13 3.74 -0.74 4.78 5.99 -1.26 -4.97 117.98 122.39 3i20 s PHE 5 Ca 0.07 -1.97 -0.17 0.00 0.00 0.00 0.00 56.93 54.86 3i20 s PHE 5 Cb 0.14 -3.82 0.15 0.00 0.00 0.00 0.00 43.02 39.49 3i20 s PHE 5 CO 0.71 -0.99 0.81 -0.65 -0.00 0.00 0.00 175.22 175.10 3i20 s GLN 6 N 0.21 3.33 0.67 10.12 -1.52 -1.26 -5.04 119.66 126.18 3i20 s GLN 6 Ca 0.17 -1.79 -0.17 0.00 -1.95 0.00 0.00 55.36 51.63 3i20 s GLN 6 Cb -0.11 -4.47 -0.04 0.00 -0.22 0.00 0.00 33.01 28.17 3i20 s GLN 6 CO -0.08 -1.51 0.68 -0.35 -0.25 0.00 0.00 175.29 173.78 3i20 n PRO 7 N 5.61 0.47 -3.29 2.91 -0.04 -1.26 -5.03 135.00 134.38 3i20 n PRO 7 Ca 0.05 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 3i20 n PRO 7 Cb 0.45 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 3i20 n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i20 s SER 8 N -1.41 -0.75 0.32 3.54 0.15 -1.26 -5.06 113.70 109.23 3i20 s SER 8 Ca 0.69 0.71 0.06 0.00 0.70 0.00 0.00 55.95 58.11 3i20 s SER 8 Cb -0.38 1.73 0.55 0.00 -1.71 0.00 0.00 66.02 66.21 3i20 s SER 8 CO 0.54 -0.14 1.79 1.62 1.20 0.00 0.00 173.24 178.25 3i20 h VAL 9 N 5.59 1.24 0.04 4.45 3.04 -1.98 0.69 116.25 129.32 3i20 h VAL 9 Ca -0.17 -1.14 0.01 0.00 -1.01 0.00 0.00 66.70 64.39 3i20 h VAL 9 Cb 1.14 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 3i20 h VAL 9 CO 0.06 0.36 -0.10 0.25 -1.01 0.00 0.00 177.57 177.12 3i20 h LEU 10 N 0.31 -0.29 -0.27 3.16 5.85 -2.00 -1.56 115.31 120.50 3i20 h LEU 10 Ca 0.05 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3i20 h LEU 10 Cb 0.58 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3i20 h LEU 10 CO 0.04 -0.15 -0.03 0.11 -0.34 0.00 0.00 178.44 178.07 3i20 h LYS 11 N -0.20 0.50 -0.83 1.25 1.57 -1.87 -1.47 116.57 115.52 3i20 h LYS 11 Ca 0.03 -0.17 0.21 0.00 -1.87 0.00 0.00 60.65 58.84 3i20 h LYS 11 Cb 0.23 -0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.36 3i20 h LYS 11 CO -0.08 0.68 0.09 -0.09 -0.57 0.00 0.00 179.45 179.49 3i20 h ARG 12 N 0.27 0.13 0.01 3.15 2.43 -0.58 0.36 114.38 120.15 3i20 h ARG 12 Ca 0.07 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.98 3i20 h ARG 12 Cb 0.47 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3i20 h ARG 12 CO 0.02 0.09 -1.01 -0.91 -1.51 0.00 0.00 179.97 176.65 3i20 h ASN 13 N 0.13 0.86 -0.33 -3.80 -0.26 -1.20 -2.61 115.58 108.37 3i20 h ASN 13 Ca 0.49 -0.75 -0.02 0.00 -0.56 0.00 0.00 56.30 55.46 3i20 h ASN 13 Cb 0.93 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.91 3i20 h ASN 13 CO -0.70 1.51 0.16 0.03 -1.06 0.00 0.00 177.43 177.37 3i20 h ARG 14 N 0.32 0.53 0.03 0.81 3.08 0.60 0.36 114.38 120.10 3i20 h ARG 14 Ca -0.13 -0.06 -0.38 0.00 0.07 0.00 0.00 59.98 59.47 3i20 h ARG 14 Cb 1.67 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.56 3i20 h ARG 14 CO 0.20 0.43 -2.37 0.43 -1.07 0.00 0.00 179.97 177.59 3i20 n SER 15 N -4.39 2.00 -0.11 7.04 7.64 0.89 -4.52 113.62 122.18 3i20 n SER 15 Ca 0.02 -0.06 0.04 0.00 1.01 0.00 0.00 58.87 59.89 3i20 n SER 15 Cb 0.13 -0.51 0.06 0.00 -1.01 0.00 0.00 64.21 62.88 3i20 n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i20 n HIS 16 N -3.31 0.00 -0.94 1.43 8.25 -0.99 -4.88 115.22 114.78 3i20 n HIS 16 Ca -0.43 -0.56 -0.28 0.00 -0.26 0.00 0.00 57.72 56.19 3i20 n HIS 16 Cb 1.00 -0.08 0.21 0.00 1.12 0.00 0.00 29.99 32.24 3i20 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i20 s GLY 17 N -1.63 1.55 0.23 -1.41 0.00 0.13 -4.77 107.32 101.41 3i20 s GLY 17 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 3i20 s GLY 17 CO 0.01 0.36 1.77 -2.75 0.00 0.00 0.00 173.10 172.49 3i20 h PHE 18 N -2.20 1.12 0.05 1.90 3.04 -1.85 -1.83 116.94 117.16 3i20 h PHE 18 Ca -0.58 -0.11 -0.23 0.00 3.98 0.00 0.00 57.97 61.04 3i20 h PHE 18 Cb 1.34 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 3i20 h PHE 18 CO 0.27 0.89 -1.05 0.00 -2.02 0.00 0.00 178.31 176.39 3i20 h ARG 19 N 1.05 0.14 -0.52 1.11 3.08 -1.93 -1.22 114.38 116.10 3i20 h ARG 19 Ca 0.23 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3i20 h ARG 19 Cb 0.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3i20 h ARG 19 CO -0.01 1.06 -0.09 0.00 -1.07 0.00 0.00 179.97 179.87 3i20 h ALA 20 N 0.85 0.86 0.06 0.04 0.00 -1.80 0.17 119.26 119.44 3i20 h ALA 20 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i20 h ALA 20 Cb 1.77 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3i20 h ALA 20 CO 0.16 0.65 -0.07 -0.09 0.00 0.00 0.00 179.25 179.90 3i20 h ARG 21 N 0.85 -0.15 0.00 0.00 9.65 -1.25 -2.96 114.38 120.53 3i20 h ARG 21 Ca 0.14 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3i20 h ARG 21 Cb 0.62 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3i20 h ARG 21 CO 0.04 -0.10 0.00 -0.12 2.80 0.00 0.00 179.97 182.59 3i20 n MET 22 N -5.18 0.14 -0.28 0.20 1.56 -0.47 -1.74 117.12 111.35 3i20 n MET 22 Ca -0.07 0.33 0.03 0.00 -0.27 0.00 0.00 57.70 57.72 3i20 n MET 22 Cb 0.11 -1.75 0.15 0.00 2.15 0.00 0.00 33.22 33.88 3i20 n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i20 n ALA 23 N -1.69 2.86 -3.61 -5.12 0.00 0.49 -4.69 120.51 108.75 3i20 n ALA 23 Ca 0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.66 3i20 n ALA 23 Cb 0.25 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 3i20 n ALA 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i20 s THR 24 N -1.66 0.00 0.33 0.00 -1.32 -1.23 -5.03 115.64 106.73 3i20 s THR 24 Ca 0.20 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.77 3i20 s THR 24 Cb 0.14 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.53 3i20 s THR 24 CO 0.08 0.00 1.56 1.17 -2.21 0.00 0.00 174.62 175.23 3i20 n LYS 25 N 2.29 -0.07 0.09 7.08 3.00 -1.26 -0.47 118.16 128.81 3i20 n LYS 25 Ca -0.15 1.45 -0.22 0.00 -0.00 0.00 0.00 58.31 59.39 3i20 n LYS 25 Cb 0.55 -2.40 -0.15 0.00 0.00 0.00 0.00 35.03 33.03 3i20 n LYS 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3i20 h ASN 26 N 0.00 0.63 -0.04 3.14 -0.26 -1.96 -2.29 115.58 114.80 3i20 h ASN 26 Ca 0.69 -0.93 0.03 0.00 -0.56 0.00 0.00 56.30 55.53 3i20 h ASN 26 Cb 1.58 -0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 38.58 3i20 h ASN 26 CO -0.88 1.58 -0.44 1.23 -1.06 0.00 0.00 177.43 177.86 3i20 h GLY 27 N -0.03 -0.83 -0.45 2.83 0.00 -1.54 -1.27 103.07 101.78 3i20 h GLY 27 Ca -0.23 0.54 0.30 0.00 0.00 0.00 0.00 47.33 47.95 3i20 h GLY 27 CO 0.19 -0.24 0.56 3.21 0.00 0.00 0.00 176.54 180.26 3i20 h ARG 28 N -0.57 0.35 0.00 4.80 3.08 0.09 0.85 114.38 122.98 3i20 h ARG 28 Ca 0.05 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3i20 h ARG 28 Cb 0.66 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3i20 h ARG 28 CO -0.35 0.23 -0.25 1.96 -1.07 0.00 0.00 179.97 180.49 3i20 h GLN 29 N 0.36 0.00 -0.07 0.04 4.20 -0.67 -1.57 115.11 117.41 3i20 h GLN 29 Ca 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.41 3i20 h GLN 29 Cb 1.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.35 3i20 h GLN 29 CO -0.59 0.25 0.01 0.28 -0.67 0.00 0.00 178.83 178.11 3i20 h VAL 30 N 0.00 1.23 -0.49 -0.54 2.07 0.17 -1.80 116.25 116.89 3i20 h VAL 30 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3i20 h VAL 30 Cb 0.45 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3i20 h VAL 30 CO 0.03 0.20 0.33 -0.07 0.02 0.00 0.00 177.57 178.08 3i20 h LEU 31 N -0.14 0.57 -0.54 2.57 3.38 -0.95 -1.22 115.31 118.98 3i20 h LEU 31 Ca 0.02 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3i20 h LEU 31 Cb 0.31 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3i20 h LEU 31 CO 0.00 0.41 -0.16 0.00 0.09 0.00 0.00 178.44 178.79 3i20 h ALA 32 N 1.18 0.31 0.33 1.53 0.00 -1.23 0.19 119.26 121.57 3i20 h ALA 32 Ca 0.18 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3i20 h ALA 32 Cb -0.07 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i20 h ALA 32 CO -0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 179.25 178.45 3i20 h ARG 33 N -0.03 -0.62 -0.78 0.00 3.08 -0.44 0.02 114.38 115.61 3i20 h ARG 33 Ca 0.26 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 3i20 h ARG 33 Cb 0.42 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3i20 h ARG 33 CO -0.57 -0.41 0.35 0.00 -1.07 0.00 0.00 179.97 178.27 3i20 h ARG 34 N -0.64 1.15 -0.26 0.04 3.08 -0.68 -0.43 114.38 116.65 3i20 h ARG 34 Ca -0.02 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3i20 h ARG 34 Cb 0.57 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3i20 h ARG 34 CO -0.04 0.91 0.13 0.00 -1.07 0.00 0.00 179.97 179.90 3i20 h ARG 35 N 1.12 0.34 0.00 0.04 3.08 -0.41 -0.40 114.38 118.15 3i20 h ARG 35 Ca 0.27 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 3i20 h ARG 35 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i20 h ARG 35 CO -0.03 0.26 -0.26 0.00 -1.07 0.00 0.00 179.97 178.87 3i20 h ALA 36 N 1.80 0.87 0.00 0.04 0.00 0.56 -2.48 119.26 120.04 3i20 h ALA 36 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i20 h ALA 36 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i20 h ALA 36 CO -0.01 0.33 -0.62 -0.22 0.00 0.00 0.00 179.25 178.73 3i20 h LYS 37 N 0.00 0.00 0.00 0.00 3.64 -0.17 -3.47 116.57 116.57 3i20 h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i20 h LYS 37 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3i20 h LYS 37 CO 0.03 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.62 3i20 n GLY 38 N 1.33 0.58 3.46 5.01 0.00 -0.31 -5.02 105.19 110.24 3i20 n GLY 38 Ca 0.03 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3i20 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i20 n ARG 39 N -2.60 0.36 0.03 1.61 3.00 -0.32 -4.90 116.66 113.84 3i20 n ARG 39 Ca 0.00 0.16 0.11 0.00 -0.00 0.00 0.00 57.85 58.12 3i20 n ARG 39 Cb 0.02 -1.79 -0.01 0.00 0.00 0.00 0.00 32.46 30.69 3i20 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i20 n ALA 40 N -2.19 3.30 -3.54 5.13 0.00 -1.26 -4.66 120.51 117.29 3i20 n ALA 40 Ca 0.10 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 3i20 n ALA 40 Cb 0.49 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 3i20 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i20 s ARG 41 N -3.25 0.93 0.29 0.00 0.52 -1.26 -5.00 118.95 111.18 3i20 s ARG 41 Ca 0.02 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 3i20 s ARG 41 Cb 0.14 -1.73 0.72 0.00 0.52 0.00 0.00 34.95 34.60 3i20 s ARG 41 CO 0.82 -1.24 1.64 -0.07 0.02 0.00 0.00 175.30 176.46 3i20 h LEU 42 N 6.54 -0.05 0.00 2.53 -0.00 -1.96 -3.39 115.31 118.98 3i20 h LEU 42 Ca 0.09 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 3i20 h LEU 42 Cb 0.93 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 3i20 h LEU 42 CO 0.37 -0.18 -0.10 0.35 -0.00 0.00 0.00 178.44 178.88 3i20 n THR 43 N -5.26 0.00 0.00 0.22 -2.24 -1.26 -4.97 114.28 100.77 3i20 n THR 43 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 3i20 n THR 43 Cb 0.69 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3i20 n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i20 n VAL 44 N -1.04 0.00 -0.98 2.28 0.31 -1.26 -4.78 118.33 112.85 3i20 n VAL 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i20 n VAL 44 Cb 0.05 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3i20 n VAL 44 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i20 n SER 45 N 0.00 0.00 -0.14 4.52 7.64 -1.26 -4.74 113.62 119.64 3i20 n SER 45 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 3i20 n SER 45 Cb 0.00 0.00 0.83 0.00 -1.01 0.00 0.00 64.21 64.03 3i20 n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20