#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn7 h THR 3 N 0.00 0.60 -0.63 1.59 2.02 -2.00 -1.31 112.91 113.18 3dn7 h THR 3 Ca 0.00 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.19 3dn7 h THR 3 Cb 0.00 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 3dn7 h THR 3 CO 0.00 0.02 0.35 0.00 0.37 0.00 0.00 175.52 176.27 3dn7 h ALA 4 N 1.46 0.83 -0.26 6.16 0.00 -1.99 -0.46 119.26 124.99 3dn7 h ALA 4 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3dn7 h ALA 4 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dn7 h ALA 4 CO -0.42 0.04 -0.18 1.25 0.00 0.00 0.00 179.25 179.94 3dn7 h LEU 5 N 0.67 0.61 -0.78 0.00 5.85 -1.78 -2.17 115.31 117.71 3dn7 h LEU 5 Ca 0.28 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3dn7 h LEU 5 Cb 0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3dn7 h LEU 5 CO -0.16 0.92 0.32 0.40 -0.34 0.00 0.00 178.44 179.58 3dn7 h ILE 6 N 0.31 1.26 -0.72 4.05 1.08 -1.00 -0.69 117.51 121.80 3dn7 h ILE 6 Ca 0.05 -0.79 -0.06 0.00 -0.39 0.00 0.00 64.86 63.67 3dn7 h ILE 6 Cb 0.71 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 3dn7 h ILE 6 CO 0.05 0.33 0.23 0.78 -0.69 0.00 0.00 178.15 178.85 3dn7 h ASN 7 N 1.13 1.04 -0.24 1.72 2.35 -1.01 0.26 115.58 120.83 3dn7 h ASN 7 Ca 0.26 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3dn7 h ASN 7 Cb 0.20 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3dn7 h ASN 7 CO -0.02 0.97 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.93 3dn7 h HIS 8 N 1.05 0.50 -0.80 1.19 2.76 -1.02 -2.74 115.15 116.10 3dn7 h HIS 8 Ca 0.23 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3dn7 h HIS 8 Cb 0.29 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 3dn7 h HIS 8 CO 0.02 0.67 0.52 0.82 -1.30 0.00 0.00 177.93 178.66 3dn7 h ILE 9 N 0.19 1.21 0.00 6.26 2.04 -0.81 -1.94 117.51 124.47 3dn7 h ILE 9 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dn7 h ILE 9 Cb 0.50 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3dn7 h ILE 9 CO 0.02 0.21 0.00 0.54 0.00 0.00 0.00 178.15 178.92 3dn7 n ARG 10 N -4.51 0.17 0.25 2.37 1.74 0.05 -0.96 116.66 115.77 3dn7 n ARG 10 Ca 0.08 0.51 0.17 0.00 -0.77 0.00 0.00 57.85 57.84 3dn7 n ARG 10 Cb 0.03 -1.91 0.71 0.00 -1.02 0.00 0.00 32.46 30.27 3dn7 n ARG 10 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3dn7 h LYS 11 N 0.00 0.00 0.00 5.56 1.57 -1.04 -3.35 116.57 119.31 3dn7 h LYS 11 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3dn7 h LYS 11 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3dn7 h LYS 11 CO 0.00 0.00 -1.16 1.19 -0.57 0.00 0.00 179.45 178.91 3dn7 n PHE 12 N -2.84 0.00 -4.19 -1.35 3.72 -0.13 -5.07 117.46 107.59 3dn7 n PHE 12 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 3dn7 n PHE 12 Cb 0.24 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.58 3dn7 n PHE 12 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3dn7 s ILE 13 N -2.11 0.39 0.12 4.37 -4.36 -0.79 -4.86 121.20 113.96 3dn7 s ILE 13 Ca -0.01 -1.94 -0.25 0.00 -0.26 0.00 0.00 60.65 58.19 3dn7 s ILE 13 Cb 0.01 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.61 3dn7 s ILE 13 CO 0.11 -0.51 0.75 0.12 0.24 0.00 0.00 174.94 175.66 3dn7 s PHE 14 N -3.85 3.84 -0.09 1.37 5.36 -1.26 -4.26 117.98 119.09 3dn7 s PHE 14 Ca 0.23 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.71 3dn7 s PHE 14 Cb 0.07 -2.76 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 3dn7 s PHE 14 CO 0.02 0.44 0.18 -1.17 -1.46 0.00 0.00 175.22 173.23 3dn7 s LEU 15 N -0.77 -0.11 0.77 6.12 2.96 -1.26 -5.00 118.68 121.39 3dn7 s LEU 15 Ca 0.36 0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 54.52 3dn7 s LEU 15 Cb -0.22 0.38 0.06 0.00 0.50 0.00 0.00 46.19 46.91 3dn7 s LEU 15 CO 0.24 -0.24 1.22 0.42 -1.32 0.00 0.00 176.35 176.67 3dn7 s THR 16 N 2.30 2.11 0.34 3.68 -4.23 -1.26 -4.80 115.64 113.77 3dn7 s THR 16 Ca 0.02 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.61 3dn7 s THR 16 Cb -0.12 -2.57 0.28 0.00 1.34 0.00 0.00 72.50 71.43 3dn7 s THR 16 CO -0.06 -0.03 1.97 0.44 -0.54 0.00 0.00 174.62 176.39 3dn7 h ASP 17 N -0.59 0.78 0.34 3.99 3.32 -2.01 0.10 116.42 122.35 3dn7 h ASP 17 Ca -0.47 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3dn7 h ASP 17 Cb 1.30 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3dn7 h ASP 17 CO 0.48 0.54 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.29 3dn7 h GLU 18 N 0.90 -0.43 -0.43 3.56 4.81 -1.99 -0.78 114.58 120.21 3dn7 h GLU 18 Ca 0.30 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3dn7 h GLU 18 Cb 0.06 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3dn7 h GLU 18 CO -0.09 -0.25 0.12 -0.44 -0.73 0.00 0.00 179.01 177.63 3dn7 h ASP 19 N -0.51 0.58 -0.68 1.04 3.32 -1.84 0.35 116.42 118.69 3dn7 h ASP 19 Ca -0.05 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3dn7 h ASP 19 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3dn7 h ASP 19 CO 0.08 0.57 0.43 0.00 -1.72 0.00 0.00 179.24 178.60 3dn7 h ALA 20 N 1.51 0.86 -0.37 3.45 0.00 -0.65 0.22 119.26 124.29 3dn7 h ALA 20 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dn7 h ALA 20 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dn7 h ALA 20 CO -0.01 0.30 0.15 0.78 0.00 0.00 0.00 179.25 180.48 3dn7 h GLY 21 N 0.92 0.59 0.96 0.00 0.00 -0.12 -1.30 103.07 104.11 3dn7 h GLY 21 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3dn7 h GLY 21 CO -0.05 0.30 0.19 -0.84 0.00 0.00 0.00 176.54 176.14 3dn7 h THR 22 N 0.45 1.15 -0.57 4.70 2.02 -0.68 -2.87 112.91 117.12 3dn7 h THR 22 Ca 0.12 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3dn7 h THR 22 Cb 0.18 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3dn7 h THR 22 CO -0.01 0.16 0.34 0.25 0.37 0.00 0.00 175.52 176.63 3dn7 h LEU 23 N 0.47 0.69 -1.32 2.58 6.46 -0.51 -2.83 115.31 120.85 3dn7 h LEU 23 Ca 0.13 -0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.95 3dn7 h LEU 23 Cb 0.08 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 3dn7 h LEU 23 CO -0.02 0.55 0.55 0.28 -0.62 0.00 0.00 178.44 179.18 3dn7 h SER 24 N 0.76 0.65 0.58 1.25 0.02 -1.01 -1.81 113.55 113.99 3dn7 h SER 24 Ca 0.20 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3dn7 h SER 24 Cb -0.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3dn7 h SER 24 CO -0.04 0.36 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 3dn7 h ALA 25 N 1.60 1.00 0.00 3.77 0.00 -1.39 -1.39 119.26 122.85 3dn7 h ALA 25 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3dn7 h ALA 25 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dn7 h ALA 25 CO -0.17 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.22 3dn7 n PHE 26 N -2.57 0.46 -4.39 0.00 3.72 -0.68 -4.86 117.46 109.14 3dn7 n PHE 26 Ca 0.00 0.13 -0.35 0.00 -0.05 0.00 0.00 57.45 57.19 3dn7 n PHE 26 Cb 0.19 -0.70 -0.10 0.00 -0.94 0.00 0.00 39.48 37.93 3dn7 n PHE 26 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3dn7 s PHE 27 N -3.05 3.11 -0.14 1.38 0.08 -0.52 -4.68 117.98 114.15 3dn7 s PHE 27 Ca 0.12 0.08 -0.08 0.00 0.12 0.00 0.00 56.93 57.18 3dn7 s PHE 27 Cb 0.16 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 3dn7 s PHE 27 CO 0.58 0.35 0.13 -0.65 -0.10 0.00 0.00 175.22 175.52 3dn7 s GLN 28 N -0.60 3.61 0.02 0.44 -0.21 -0.47 -4.88 119.66 117.57 3dn7 s GLN 28 Ca 0.10 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.01 3dn7 s GLN 28 Cb -0.12 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 3dn7 s GLN 28 CO 0.02 0.65 0.96 -1.17 -2.12 0.00 0.00 175.29 173.64 3dn7 s LEU 29 N -0.66 4.39 -0.10 2.90 2.96 -1.26 -1.09 118.68 125.82 3dn7 s LEU 29 Ca 0.13 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.71 3dn7 s LEU 29 Cb -0.12 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3dn7 s LEU 29 CO 0.02 -0.22 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.19 3dn7 s LYS 30 N 0.82 1.68 -0.12 1.98 -0.14 0.24 -4.99 119.74 119.21 3dn7 s LYS 30 Ca 0.50 -0.35 -0.03 0.00 -1.36 0.00 0.00 55.97 54.74 3dn7 s LYS 30 Cb -0.21 -1.57 -0.03 0.00 -1.68 0.00 0.00 37.83 34.34 3dn7 s LYS 30 CO 0.28 -0.14 -0.03 0.15 -0.76 0.00 0.00 175.35 174.84 3dn7 s LYS 31 N 1.26 3.36 -0.01 1.68 1.02 -1.26 0.45 119.74 126.24 3dn7 s LYS 31 Ca -0.03 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3dn7 s LYS 31 Cb -0.14 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 3dn7 s LYS 31 CO -0.04 0.42 -0.02 0.14 -0.92 0.00 0.00 175.35 174.94 3dn7 s VAL 32 N -0.13 0.19 0.79 3.17 -7.23 -0.61 -5.01 120.40 111.57 3dn7 s VAL 32 Ca 0.03 -0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 3dn7 s VAL 32 Cb -0.13 -0.20 0.07 0.00 0.56 0.00 0.00 36.38 36.69 3dn7 s VAL 32 CO 0.02 0.08 1.10 -0.13 -0.31 0.00 0.00 175.10 175.87 3dn7 s ARG 33 N 0.24 2.04 0.65 4.82 0.52 -1.26 -0.26 118.95 125.71 3dn7 s ARG 33 Ca -0.02 1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 56.27 3dn7 s ARG 33 Cb -0.04 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 3dn7 s ARG 33 CO -0.01 -1.82 1.04 0.36 0.02 0.00 0.00 175.30 174.89 3dn7 n LYS 34 N -3.61 0.80 -2.41 3.54 2.85 -1.23 -3.27 118.16 114.85 3dn7 n LYS 34 Ca 0.10 0.33 -0.19 0.00 -1.05 0.00 0.00 58.31 57.49 3dn7 n LYS 34 Cb 0.53 -2.27 -0.01 0.00 -0.65 0.00 0.00 35.03 32.63 3dn7 n LYS 34 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dn7 n LYS 35 N -1.52 -1.74 -3.68 -1.58 5.02 0.14 -4.95 118.16 109.85 3dn7 n LYS 35 Ca 0.14 0.94 -0.35 0.00 -2.02 0.00 0.00 58.31 57.01 3dn7 n LYS 35 Cb 0.48 -5.53 -0.08 0.00 -0.02 0.00 0.00 35.03 29.89 3dn7 n LYS 35 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dn7 s GLU 36 N -5.01 4.20 -0.13 1.97 0.41 -1.20 -4.89 118.70 114.05 3dn7 s GLU 36 Ca 0.02 -0.14 -0.23 0.00 -0.41 0.00 0.00 54.97 54.21 3dn7 s GLU 36 Cb -0.01 -3.42 -0.03 0.00 -1.78 0.00 0.00 34.13 28.89 3dn7 s GLU 36 CO 0.02 0.29 0.69 0.99 -0.49 0.00 0.00 175.26 176.76 3dn7 s THR 37 N 0.37 5.02 -0.10 3.63 2.01 -1.26 -1.48 115.64 123.83 3dn7 s THR 37 Ca 0.10 1.37 0.18 0.00 0.31 0.00 0.00 61.69 63.65 3dn7 s THR 37 Cb -0.11 -4.01 -0.27 0.00 0.01 0.00 0.00 72.50 68.11 3dn7 s THR 37 CO -0.01 0.18 0.26 0.18 -0.69 0.00 0.00 174.62 174.54 3dn7 n LEU 38 N 4.40 0.00 -3.77 4.42 4.77 0.90 -4.97 117.00 122.74 3dn7 n LEU 38 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3dn7 n LEU 38 Cb 0.50 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3dn7 n LEU 38 CO 0.46 0.21 -0.01 -0.22 -1.33 0.00 0.00 177.39 176.50 3dn7 s LEU 39 N -4.82 0.85 0.06 2.23 2.96 -1.06 -4.91 118.68 113.99 3dn7 s LEU 39 Ca -0.08 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.32 3dn7 s LEU 39 Cb 0.09 1.13 -0.03 0.00 0.50 0.00 0.00 46.19 47.89 3dn7 s LEU 39 CO 0.79 -0.25 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.76 3dn7 s LYS 40 N -0.46 1.71 0.11 1.98 1.02 -1.26 -1.44 119.74 121.40 3dn7 s LYS 40 Ca -0.06 -1.15 -0.35 0.00 0.02 0.00 0.00 55.97 54.43 3dn7 s LYS 40 Cb -0.04 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.16 3dn7 s LYS 40 CO 0.02 0.50 1.20 2.41 -0.92 0.00 0.00 175.35 178.55 3dn7 n THR 41 N 1.61 0.44 0.00 2.17 -1.04 -1.19 -1.40 114.28 114.88 3dn7 n THR 41 Ca -0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3dn7 n THR 41 Cb 0.52 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3dn7 n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dn7 n GLY 42 N 2.15 3.06 3.77 3.41 0.00 0.53 -4.91 105.19 113.21 3dn7 n GLY 42 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3dn7 n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dn7 s GLU 43 N -0.70 4.67 0.02 1.61 2.02 -0.49 -4.49 118.70 121.34 3dn7 s GLU 43 Ca 0.00 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 56.04 3dn7 s GLU 43 Cb 0.00 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.15 3dn7 s GLU 43 CO 0.00 0.39 1.60 0.42 0.02 0.00 0.00 175.26 177.70 3dn7 s ILE 44 N -1.42 3.32 -0.29 -1.63 1.01 -1.26 -0.15 121.20 120.78 3dn7 s ILE 44 Ca 0.45 0.67 -0.24 0.00 0.00 0.00 0.00 60.65 61.53 3dn7 s ILE 44 Cb -0.22 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3dn7 s ILE 44 CO 0.27 -0.02 0.83 0.00 0.00 0.00 0.00 174.94 176.03 3dn7 n ARG 46 N 6.24 0.66 -5.29 0.00 5.12 -1.26 -4.12 116.66 118.00 3dn7 n ARG 46 Ca 0.05 -0.05 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3dn7 n ARG 46 Cb 0.48 -1.11 -0.16 0.00 -1.16 0.00 0.00 32.46 30.51 3dn7 n ARG 46 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3dn7 s ILE 47 N -2.34 2.06 -0.12 0.55 1.01 -1.26 -0.91 121.20 120.20 3dn7 s ILE 47 Ca -0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3dn7 s ILE 47 Cb 0.04 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3dn7 s ILE 47 CO 0.25 0.58 -0.09 0.21 0.00 0.00 0.00 174.94 175.89 3dn7 s ASN 48 N -0.46 4.40 -0.09 3.58 2.47 -0.06 -4.70 114.94 120.08 3dn7 s ASN 48 Ca 0.05 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.14 3dn7 s ASN 48 Cb -0.11 -1.54 -0.03 0.00 -1.45 0.00 0.00 41.25 38.12 3dn7 s ASN 48 CO 0.01 0.21 -0.08 -0.31 -3.72 0.00 0.00 177.10 173.21 3dn7 s TYR 49 N 0.07 2.90 -0.17 0.43 2.02 -0.33 -1.45 117.35 120.82 3dn7 s TYR 49 Ca -0.03 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3dn7 s TYR 49 Cb -0.14 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3dn7 s TYR 49 CO 0.04 0.17 -0.01 0.12 -1.57 0.00 0.00 175.55 174.30 3dn7 s PHE 50 N -0.44 3.07 -0.48 2.71 5.36 0.32 -0.76 117.98 127.77 3dn7 s PHE 50 Ca 0.06 -0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 55.52 3dn7 s PHE 50 Cb -0.12 -2.02 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 3dn7 s PHE 50 CO 0.02 -0.06 0.84 0.08 -1.46 0.00 0.00 175.22 174.63 3dn7 s VAL 51 N 0.56 4.57 -0.05 3.12 1.01 0.04 -0.89 120.40 128.77 3dn7 s VAL 51 Ca -0.01 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 3dn7 s VAL 51 Cb -0.14 -4.39 -0.23 0.00 0.00 0.00 0.00 36.38 31.62 3dn7 s VAL 51 CO 0.02 -0.83 1.04 0.58 0.00 0.00 0.00 175.10 175.91 3dn7 h VAL 52 N 6.00 1.54 -3.37 2.92 2.07 -1.38 0.40 116.25 124.43 3dn7 h VAL 52 Ca -0.25 -1.91 -0.20 0.00 0.82 0.00 0.00 66.70 65.16 3dn7 h VAL 52 Cb 1.08 2.73 -0.27 0.00 -1.52 0.00 0.00 31.29 33.31 3dn7 h VAL 52 CO 1.00 0.52 -0.55 -0.75 0.02 0.00 0.00 177.57 177.81 3dn7 s LYS 53 N -3.18 0.16 0.00 1.57 2.20 -0.89 -4.53 119.74 115.08 3dn7 s LYS 53 Ca -0.16 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 3dn7 s LYS 53 Cb 0.01 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 3dn7 s LYS 53 CO 0.74 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 3dn7 n GLY 54 N 3.13 0.26 3.64 5.54 0.00 -1.26 -1.19 105.19 115.31 3dn7 n GLY 54 Ca -0.14 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 3dn7 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dn7 s LEU 56 N 1.38 3.30 0.10 0.00 1.43 -0.53 -0.62 118.68 123.73 3dn7 s LEU 56 Ca -0.08 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3dn7 s LEU 56 Cb -0.05 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3dn7 s LEU 56 CO -0.16 0.09 -0.20 0.00 0.23 0.00 0.00 176.35 176.31 3dn7 s ARG 57 N -2.92 1.07 -0.17 1.70 1.70 0.27 -1.16 118.95 119.43 3dn7 s ARG 57 Ca 0.27 -1.12 -0.06 0.00 -0.47 0.00 0.00 55.73 54.36 3dn7 s ARG 57 Cb -0.09 -1.29 -0.04 0.00 -0.57 0.00 0.00 34.95 32.96 3dn7 s ARG 57 CO 0.18 0.30 0.02 -1.17 -1.08 0.00 0.00 175.30 173.55 3dn7 s LEU 58 N -1.86 3.58 0.21 -1.89 2.96 0.12 -1.75 118.68 120.04 3dn7 s LEU 58 Ca 0.05 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 3dn7 s LEU 58 Cb -0.10 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3dn7 s LEU 58 CO 0.04 0.17 0.36 0.72 -1.32 0.00 0.00 176.35 176.31 3dn7 s PHE 59 N 0.37 0.47 0.21 5.38 -0.12 -0.58 -0.54 117.98 123.17 3dn7 s PHE 59 Ca 0.00 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.09 3dn7 s PHE 59 Cb -0.13 -0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 3dn7 s PHE 59 CO 0.01 -0.83 0.02 -0.59 -0.05 0.00 0.00 175.22 173.78 3dn7 s PHE 60 N -4.01 1.37 -0.21 3.49 -0.12 -0.60 -0.23 117.98 117.67 3dn7 s PHE 60 Ca 0.22 -1.02 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 3dn7 s PHE 60 Cb 0.02 -0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 41.60 3dn7 s PHE 60 CO 0.05 -0.18 -0.02 0.42 -0.05 0.00 0.00 175.22 175.44 3dn7 s ILE 61 N -3.60 3.66 1.04 -4.49 1.01 -1.26 -0.47 121.20 117.08 3dn7 s ILE 61 Ca 0.28 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 3dn7 s ILE 61 Cb 0.06 -2.66 0.23 0.00 0.01 0.00 0.00 42.46 40.10 3dn7 s ILE 61 CO 0.07 0.42 1.27 1.51 0.00 0.00 0.00 174.94 178.21 3dn7 s ASP 62 N 1.27 2.45 0.00 3.58 1.47 -0.16 -4.85 116.67 120.42 3dn7 s ASP 62 Ca 0.03 0.35 0.23 0.00 1.18 0.00 0.00 52.55 54.34 3dn7 s ASP 62 Cb -0.14 -0.43 1.34 0.00 -0.34 0.00 0.00 42.92 43.35 3dn7 s ASP 62 CO -0.00 -3.15 1.75 -1.84 0.68 0.00 0.00 175.17 172.60 3dn7 n GLU 63 N -4.06 0.66 0.00 2.11 -0.00 -1.26 -1.01 120.64 117.07 3dn7 n GLU 63 Ca 0.15 0.01 0.11 0.00 -0.00 0.00 0.00 57.16 57.43 3dn7 n GLU 63 Cb 0.59 -1.50 0.09 0.00 -0.00 0.00 0.00 31.44 30.62 3dn7 n GLU 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3dn7 n LYS 64 N -1.04 1.96 -0.73 3.44 4.76 -1.26 -4.96 118.16 120.33 3dn7 n LYS 64 Ca 0.16 -1.77 0.00 0.00 -2.87 0.00 0.00 58.31 53.84 3dn7 n LYS 64 Cb 0.09 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3dn7 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dn7 n GLY 65 N 1.20 0.63 3.71 0.72 0.00 -0.18 -5.03 105.19 106.23 3dn7 n GLY 65 Ca 0.12 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3dn7 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dn7 s ILE 66 N -2.00 5.00 -0.00 -0.61 -1.09 -1.26 -4.77 121.20 116.47 3dn7 s ILE 66 Ca 0.00 1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 3dn7 s ILE 66 Cb 0.00 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 3dn7 s ILE 66 CO 0.00 0.20 1.20 -1.61 -1.23 0.00 0.00 174.94 173.50 3dn7 s GLU 67 N 1.10 4.39 -0.26 2.79 2.02 -1.26 -0.99 118.70 126.50 3dn7 s GLU 67 Ca 0.39 1.72 -0.00 0.00 0.02 0.00 0.00 54.97 57.09 3dn7 s GLU 67 Cb -0.18 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.63 3dn7 s GLU 67 CO 0.18 -0.36 -0.07 -0.65 0.02 0.00 0.00 175.26 174.38 3dn7 s GLN 68 N 1.69 2.58 -0.07 1.61 -1.52 0.38 -4.96 119.66 119.36 3dn7 s GLN 68 Ca 0.57 -1.14 -0.23 0.00 -1.95 0.00 0.00 55.36 52.61 3dn7 s GLN 68 Cb -0.27 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.51 3dn7 s GLN 68 CO 0.25 -0.49 0.68 0.99 -0.25 0.00 0.00 175.29 176.47 3dn7 s THR 69 N 1.24 5.06 -0.05 -0.19 2.01 -1.26 -1.56 115.64 120.90 3dn7 s THR 69 Ca -0.03 1.39 0.11 0.00 0.31 0.00 0.00 61.69 63.47 3dn7 s THR 69 Cb -0.18 -4.02 -0.17 0.00 0.01 0.00 0.00 72.50 68.14 3dn7 s THR 69 CO -0.04 0.25 0.25 0.35 -0.69 0.00 0.00 174.62 174.74 3dn7 n THR 70 N 3.79 0.00 -3.54 -0.82 -2.24 0.30 -4.98 114.28 106.79 3dn7 n THR 70 Ca -0.02 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 3dn7 n THR 70 Cb 0.51 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 3dn7 n THR 70 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3dn7 s GLN 71 N -2.72 0.95 0.23 -0.78 0.74 -1.17 -5.00 119.66 111.91 3dn7 s GLN 71 Ca -0.04 0.27 0.11 0.00 0.05 0.00 0.00 55.36 55.76 3dn7 s GLN 71 Cb 0.07 0.45 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 3dn7 s GLN 71 CO 0.46 -0.29 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.68 3dn7 s PHE 72 N -1.09 2.41 -0.12 1.67 0.08 -1.26 -0.70 117.98 118.97 3dn7 s PHE 72 Ca -0.08 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 3dn7 s PHE 72 Cb -0.00 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3dn7 s PHE 72 CO 0.08 0.60 -0.06 0.00 -0.10 0.00 0.00 175.22 175.74 3dn7 s ALA 73 N -2.09 1.25 0.22 5.36 0.00 -0.31 -4.98 121.76 121.22 3dn7 s ALA 73 Ca 0.27 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3dn7 s ALA 73 Cb -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.15 3dn7 s ALA 73 CO 0.14 -0.51 0.22 0.44 0.00 0.00 0.00 175.76 176.06 3dn7 n ILE 74 N 4.97 0.00 -1.59 0.00 -5.35 -1.26 -1.46 119.36 114.67 3dn7 n ILE 74 Ca -0.11 -0.48 -0.45 0.00 -0.27 0.00 0.00 62.75 61.43 3dn7 n ILE 74 Cb 0.50 -0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 37.41 3dn7 n ILE 74 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3dn7 n GLU 75 N -1.36 1.33 -1.12 6.28 0.00 -1.19 -2.01 120.64 122.57 3dn7 n GLU 75 Ca 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 57.16 57.63 3dn7 n GLU 75 Cb 0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 31.44 29.71 3dn7 n GLU 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dn7 n ASN 76 N 1.41 -3.74 -4.07 -1.84 3.02 0.14 -4.99 115.26 105.20 3dn7 n ASN 76 Ca 0.11 0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 3dn7 n ASN 76 Cb 0.31 -1.59 -0.09 0.00 -0.61 0.00 0.00 39.78 37.80 3dn7 n ASN 76 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dn7 s TRP 77 N -2.07 1.77 0.18 3.10 -0.11 -0.85 -4.94 118.94 116.02 3dn7 s TRP 77 Ca 0.00 -1.30 0.10 0.00 1.22 0.00 0.00 56.10 56.12 3dn7 s TRP 77 Cb 0.00 -1.08 -0.04 0.00 -1.50 0.00 0.00 33.47 30.84 3dn7 s TRP 77 CO 0.00 -0.35 -0.16 -1.58 -4.62 0.00 0.00 176.95 170.24 3dn7 s TRP 78 N -3.31 2.49 -0.16 5.86 0.52 -1.26 -0.78 118.94 122.31 3dn7 s TRP 78 Ca 0.28 -0.28 -0.17 0.00 0.02 0.00 0.00 56.10 55.95 3dn7 s TRP 78 Cb 0.03 -1.23 0.05 0.00 -1.15 0.00 0.00 33.47 31.17 3dn7 s TRP 78 CO 0.16 0.50 0.47 -1.17 0.02 0.00 0.00 176.95 176.93 3dn7 s LEU 79 N -2.70 0.21 0.39 2.99 2.96 0.06 -4.85 118.68 117.73 3dn7 s LEU 79 Ca 0.23 0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 54.87 3dn7 s LEU 79 Cb -0.09 1.64 0.05 0.00 0.50 0.00 0.00 46.19 48.29 3dn7 s LEU 79 CO 0.13 -0.21 0.73 -0.55 -1.32 0.00 0.00 176.35 175.12 3dn7 s SER 80 N 0.03 0.25 -0.76 3.68 0.15 -1.26 -1.19 113.70 114.59 3dn7 s SER 80 Ca -0.02 -1.28 -0.20 0.00 0.70 0.00 0.00 55.95 55.16 3dn7 s SER 80 Cb -0.03 0.83 0.11 0.00 -1.71 0.00 0.00 66.02 65.22 3dn7 s SER 80 CO 0.01 -1.65 0.96 -0.62 1.20 0.00 0.00 173.24 173.15 3dn7 s ASP 81 N -3.12 6.40 0.00 5.45 -1.08 -1.26 -5.07 116.67 117.98 3dn7 s ASP 81 Ca 0.19 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 3dn7 s ASP 81 Cb -0.04 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 3dn7 s ASP 81 CO 0.14 -1.17 0.70 -1.22 0.52 0.00 0.00 175.17 174.14 3dn7 n TYR 82 N 6.71 0.00 0.00 -5.34 4.01 -1.26 -0.72 117.16 120.56 3dn7 n TYR 82 Ca 0.07 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 3dn7 n TYR 82 Cb 0.46 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3dn7 n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dn7 n ALA 84 N 1.29 0.00 0.13 -0.72 0.00 -1.26 -1.32 120.51 118.62 3dn7 n ALA 84 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3dn7 n ALA 84 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 3dn7 n ALA 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3dn7 h PHE 85 N 0.00 -0.42 -0.01 0.00 3.57 -1.08 0.29 116.94 119.30 3dn7 h PHE 85 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3dn7 h PHE 85 Cb 0.00 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3dn7 h PHE 85 CO 0.00 -0.25 -0.56 1.96 -2.23 0.00 0.00 178.31 177.24 3dn7 h GLN 86 N -0.36 0.02 -0.01 1.11 4.20 -1.46 -2.92 115.11 115.70 3dn7 h GLN 86 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3dn7 h GLN 86 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3dn7 h GLN 86 CO -0.03 0.57 -0.54 1.63 -0.67 0.00 0.00 178.83 179.79 3dn7 n LYS 87 N -3.88 0.48 -3.41 1.46 5.02 -1.19 -4.98 118.16 111.66 3dn7 n LYS 87 Ca -0.01 -0.34 -0.17 0.00 -2.02 0.00 0.00 58.31 55.76 3dn7 n LYS 87 Cb 0.57 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 34.16 3dn7 n LYS 87 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3dn7 n GLN 88 N -0.96 -4.90 -4.25 1.97 6.02 0.89 -5.00 117.38 111.15 3dn7 n GLN 88 Ca 0.08 0.82 -0.16 0.00 -0.01 0.00 0.00 57.00 57.73 3dn7 n GLN 88 Cb 0.36 -5.74 -0.09 0.00 1.02 0.00 0.00 30.24 25.80 3dn7 n GLN 88 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3dn7 s GLN 89 N -5.13 1.50 0.24 -1.09 -2.07 -0.40 -4.91 119.66 107.79 3dn7 s GLN 89 Ca 0.16 -1.84 -0.31 0.00 -1.82 0.00 0.00 55.36 51.55 3dn7 s GLN 89 Cb -0.02 0.29 -0.14 0.00 -1.09 0.00 0.00 33.01 32.05 3dn7 s GLN 89 CO 0.75 -0.53 1.26 -2.30 -1.32 0.00 0.00 175.29 173.15 3dn7 n PRO 90 N -0.46 1.69 -2.05 9.60 -0.02 -1.26 -1.94 135.00 140.55 3dn7 n PRO 90 Ca 0.05 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 3dn7 n PRO 90 Cb 0.64 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3dn7 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dn7 s ALA 91 N -0.35 3.31 0.07 3.55 0.00 0.79 -4.76 121.76 124.37 3dn7 s ALA 91 Ca 0.67 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.96 3dn7 s ALA 91 Cb -0.71 -3.49 -0.22 0.00 0.00 0.00 0.00 23.12 18.70 3dn7 s ALA 91 CO 0.53 -0.81 1.10 -0.44 0.00 0.00 0.00 175.76 176.14 3dn7 h ASP 92 N 2.80 0.04 -2.57 0.00 3.32 -1.90 0.15 116.42 118.26 3dn7 h ASP 92 Ca -0.50 -0.05 -0.59 0.00 0.02 0.00 0.00 57.03 55.92 3dn7 h ASP 92 Cb 1.24 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3dn7 h ASP 92 CO 0.63 1.04 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.14 3dn7 s PHE 93 N -2.67 2.63 0.20 4.55 0.08 -1.26 -4.59 117.98 116.91 3dn7 s PHE 93 Ca -0.01 -0.23 -0.10 0.00 0.12 0.00 0.00 56.93 56.70 3dn7 s PHE 93 Cb 0.09 -1.21 -0.07 0.00 -0.57 0.00 0.00 43.02 41.26 3dn7 s PHE 93 CO 0.83 0.58 0.54 0.71 -0.10 0.00 0.00 175.22 177.77 3dn7 s TYR 94 N -2.06 3.47 -0.08 0.36 2.02 0.69 -3.16 117.35 118.59 3dn7 s TYR 94 Ca 0.28 0.90 0.04 0.00 -0.37 0.00 0.00 57.07 57.92 3dn7 s TYR 94 Cb -0.07 -2.27 -0.00 0.00 -0.40 0.00 0.00 41.96 39.22 3dn7 s TYR 94 CO 0.17 0.32 -0.22 0.42 -1.57 0.00 0.00 175.55 174.68 3dn7 s ILE 95 N -1.72 1.84 -0.04 2.71 1.01 -0.52 -1.52 121.20 122.97 3dn7 s ILE 95 Ca 0.44 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3dn7 s ILE 95 Cb -0.12 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.77 3dn7 s ILE 95 CO 0.21 0.51 0.13 -1.58 0.00 0.00 0.00 174.94 174.21 3dn7 s GLN 96 N 0.23 0.21 0.25 2.79 0.74 -0.72 -0.07 119.66 123.10 3dn7 s GLN 96 Ca -0.13 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 3dn7 s GLN 96 Cb -0.16 0.10 -0.09 0.00 1.10 0.00 0.00 33.01 33.96 3dn7 s GLN 96 CO 0.06 -0.03 1.26 -1.54 -0.55 0.00 0.00 175.29 174.48 3dn7 s SER 97 N -0.20 6.95 -0.18 6.67 1.04 -0.55 -0.57 113.70 126.87 3dn7 s SER 97 Ca -0.03 2.44 0.05 0.00 0.48 0.00 0.00 55.95 58.89 3dn7 s SER 97 Cb -0.02 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.25 3dn7 s SER 97 CO 0.00 -0.44 0.12 0.52 0.98 0.00 0.00 173.24 174.42 3dn7 n VAL 98 N 1.84 1.56 -4.67 5.02 0.31 0.21 -0.68 118.33 121.92 3dn7 n VAL 98 Ca 0.03 -0.69 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 3dn7 n VAL 98 Cb 0.43 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 3dn7 n VAL 98 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3dn7 s GLU 99 N -2.53 2.05 0.29 5.55 2.02 -1.20 -4.47 118.70 120.40 3dn7 s GLU 99 Ca -0.21 -2.24 -0.30 0.00 0.02 0.00 0.00 54.97 52.23 3dn7 s GLU 99 Cb 0.08 -1.49 -0.11 0.00 0.10 0.00 0.00 34.13 32.70 3dn7 s GLU 99 CO 0.73 -0.23 1.58 -0.80 0.02 0.00 0.00 175.26 176.56 3dn7 s ASN 100 N -3.77 6.41 0.06 -0.19 0.01 -1.26 -3.50 114.94 112.70 3dn7 s ASN 100 Ca 0.21 2.92 0.07 0.00 -0.71 0.00 0.00 52.86 55.34 3dn7 s ASN 100 Cb 0.06 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 3dn7 s ASN 100 CO 0.11 -0.89 -0.19 0.00 -1.51 0.00 0.00 177.10 174.62 3dn7 s GLU 102 N -1.43 3.55 0.26 0.00 2.02 -0.33 -1.58 118.70 121.18 3dn7 s GLU 102 Ca 0.05 -0.54 0.12 0.00 0.02 0.00 0.00 54.97 54.62 3dn7 s GLU 102 Cb -0.09 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 3dn7 s GLU 102 CO 0.02 -0.14 -0.21 -0.51 0.02 0.00 0.00 175.26 174.44 3dn7 s LEU 103 N 1.42 2.56 -0.12 1.80 1.43 0.17 -0.96 118.68 124.97 3dn7 s LEU 103 Ca 0.05 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.18 3dn7 s LEU 103 Cb -0.15 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3dn7 s LEU 103 CO 0.01 0.05 -0.21 -0.76 0.23 0.00 0.00 176.35 175.67 3dn7 s LEU 104 N -3.32 2.02 0.13 1.79 1.43 -0.07 -0.59 118.68 120.07 3dn7 s LEU 104 Ca 0.28 -0.56 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 3dn7 s LEU 104 Cb -0.05 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3dn7 s LEU 104 CO 0.14 0.08 -0.20 -0.94 0.23 0.00 0.00 176.35 175.66 3dn7 s SER 105 N 0.74 3.74 -0.02 2.29 1.04 -0.25 -0.52 113.70 120.72 3dn7 s SER 105 Ca -0.10 -0.62 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 3dn7 s SER 105 Cb -0.16 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.51 3dn7 s SER 105 CO 0.01 0.17 0.11 -0.51 0.98 0.00 0.00 173.24 174.00 3dn7 s ILE 106 N -1.17 0.04 0.58 -1.02 2.07 -0.53 -1.37 121.20 119.80 3dn7 s ILE 106 Ca 0.17 -0.31 -0.07 0.00 -1.41 0.00 0.00 60.65 59.03 3dn7 s ILE 106 Cb -0.10 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 3dn7 s ILE 106 CO 0.09 -0.17 0.92 0.42 -1.91 0.00 0.00 174.94 174.29 3dn7 s THR 107 N -0.55 4.13 0.17 4.00 -4.23 -1.26 -0.88 115.64 117.02 3dn7 s THR 107 Ca -0.06 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 3dn7 s THR 107 Cb -0.04 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.23 3dn7 s THR 107 CO 0.01 -0.70 1.76 0.22 -0.54 0.00 0.00 174.62 175.37 3dn7 h TYR 108 N -0.16 0.34 -0.38 3.99 3.20 -1.36 0.95 116.97 123.54 3dn7 h TYR 108 Ca -0.46 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.47 3dn7 h TYR 108 Cb 1.23 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 3dn7 h TYR 108 CO 0.54 0.14 0.17 1.15 -1.64 0.00 0.00 178.16 178.52 3dn7 h THR 109 N 0.38 0.95 -0.44 1.81 2.02 -1.94 -1.32 112.91 114.36 3dn7 h THR 109 Ca 0.21 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 3dn7 h THR 109 Cb 0.18 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3dn7 h THR 109 CO -0.19 0.07 0.11 -0.33 0.37 0.00 0.00 175.52 175.55 3dn7 h GLU 110 N 0.36 0.71 -0.86 6.66 5.08 -1.87 -1.99 114.58 122.66 3dn7 h GLU 110 Ca 0.17 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3dn7 h GLU 110 Cb 0.10 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3dn7 h GLU 110 CO -0.13 0.71 0.48 0.37 -1.00 0.00 0.00 179.01 179.44 3dn7 h GLN 111 N 0.58 1.19 -0.49 2.33 4.15 -0.57 0.13 115.11 122.43 3dn7 h GLN 111 Ca 0.14 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3dn7 h GLN 111 Cb 0.31 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3dn7 h GLN 111 CO 0.00 0.86 0.11 0.93 -1.93 0.00 0.00 178.83 178.80 3dn7 h GLU 112 N 1.19 0.80 -0.71 1.69 4.39 -1.08 -0.78 114.58 120.09 3dn7 h GLU 112 Ca 0.30 -0.20 0.04 0.00 0.34 0.00 0.00 59.36 59.84 3dn7 h GLU 112 Cb 0.01 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.51 3dn7 h GLU 112 CO -0.05 0.78 0.44 -0.91 -1.16 0.00 0.00 179.01 178.11 3dn7 h ASN 113 N 0.68 0.71 -0.64 1.42 2.35 -1.10 -2.56 115.58 116.44 3dn7 h ASN 113 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3dn7 h ASN 113 Cb 0.35 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3dn7 h ASN 113 CO 0.00 0.48 0.33 0.25 -1.65 0.00 0.00 177.43 176.85 3dn7 h LEU 114 N 0.84 0.82 -1.63 1.61 5.85 -0.36 -0.47 115.31 121.97 3dn7 h LEU 114 Ca 0.29 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3dn7 h LEU 114 Cb 0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3dn7 h LEU 114 CO -0.12 0.69 0.28 -0.26 -0.34 0.00 0.00 178.44 178.70 3dn7 h PHE 115 N 0.88 0.47 -0.24 1.25 0.04 -0.83 0.24 116.94 118.76 3dn7 h PHE 115 Ca 0.22 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.91 3dn7 h PHE 115 Cb 0.07 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 3dn7 h PHE 115 CO -0.00 0.28 -0.23 0.93 -0.60 0.00 0.00 178.31 178.69 3dn7 h GLU 116 N 0.50 0.58 0.03 1.51 5.08 -0.98 -3.08 114.58 118.23 3dn7 h GLU 116 Ca 0.17 -0.30 -0.25 0.00 -1.00 0.00 0.00 59.36 57.98 3dn7 h GLU 116 Cb 0.06 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3dn7 h GLU 116 CO -0.04 0.89 -1.04 -0.09 -1.00 0.00 0.00 179.01 177.73 3dn7 h ARG 117 N 0.29 0.47 -2.56 2.33 9.65 -0.63 -3.39 114.38 120.54 3dn7 h ARG 117 Ca 0.04 -0.55 -0.60 0.00 -1.10 0.00 0.00 59.98 57.77 3dn7 h ARG 117 Cb 0.78 0.17 -0.40 0.00 -1.39 0.00 0.00 29.97 29.13 3dn7 h ARG 117 CO 0.06 1.20 -0.84 -0.89 2.80 0.00 0.00 179.97 182.30 3dn7 n ILE 118 N -3.74 -0.06 0.30 1.20 5.41 0.81 -4.97 119.36 118.31 3dn7 n ILE 118 Ca -0.09 -4.04 0.18 0.00 1.00 0.00 0.00 62.75 59.81 3dn7 n ILE 118 Cb 0.89 -1.88 0.96 0.00 -0.71 0.00 0.00 39.64 38.91 3dn7 n ILE 118 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3dn7 h PRO 119 N 5.33 0.00 -0.03 0.38 0.11 -1.74 -1.65 132.00 134.40 3dn7 h PRO 119 Ca 0.21 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.33 3dn7 h PRO 119 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3dn7 h PRO 119 CO 0.52 0.03 0.05 0.00 -0.21 0.00 0.00 178.00 178.39 3dn7 h ALA 120 N 1.97 1.38 0.00 -0.75 0.00 -1.93 -1.30 119.26 118.63 3dn7 h ALA 120 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dn7 h ALA 120 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dn7 h ALA 120 CO 0.00 -0.07 0.00 1.25 0.00 0.00 0.00 179.25 180.44 3dn7 h LEU 121 N 0.00 0.00 -1.07 0.00 5.85 -1.64 -2.80 115.31 115.65 3dn7 h LEU 121 Ca 0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3dn7 h LEU 121 Cb 0.12 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3dn7 h LEU 121 CO -0.00 0.00 0.63 -0.33 -0.34 0.00 0.00 178.44 178.40 3dn7 h GLU 122 N 0.00 1.20 -0.40 1.25 4.39 -1.43 -1.44 114.58 118.14 3dn7 h GLU 122 Ca 0.00 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 3dn7 h GLU 122 Cb 0.49 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3dn7 h GLU 122 CO 0.00 0.79 -0.18 -0.09 -1.16 0.00 0.00 179.01 178.38 3dn7 h ARG 123 N 1.23 0.82 -0.11 2.33 2.43 -1.68 0.05 114.38 119.46 3dn7 h ARG 123 Ca 0.37 -0.35 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3dn7 h ARG 123 Cb -0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 3dn7 h ARG 123 CO -0.10 0.98 -0.15 -0.92 -1.51 0.00 0.00 179.97 178.27 3dn7 h TYR 124 N 0.63 -0.37 0.00 2.20 3.20 -1.45 -1.72 116.97 119.46 3dn7 h TYR 124 Ca 0.09 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3dn7 h TYR 124 Cb 0.73 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3dn7 h TYR 124 CO 0.06 -0.21 -0.42 0.74 -1.64 0.00 0.00 178.16 176.69 3dn7 h PHE 125 N -0.19 0.00 -0.44 -3.82 0.04 -1.21 -0.15 116.94 111.17 3dn7 h PHE 125 Ca 0.09 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.90 3dn7 h PHE 125 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3dn7 h PHE 125 CO -0.25 0.42 0.18 -0.09 -0.60 0.00 0.00 178.31 177.96 3dn7 h ARG 126 N 0.00 0.36 -0.21 1.51 1.12 -0.73 0.29 114.38 116.72 3dn7 h ARG 126 Ca -0.00 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.69 3dn7 h ARG 126 Cb 0.84 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.72 3dn7 h ARG 126 CO 0.05 0.24 -0.46 -0.07 -3.11 0.00 0.00 179.97 176.62 3dn7 h LEU 127 N 0.37 0.77 -0.20 3.80 3.38 -0.83 0.09 115.31 122.69 3dn7 h LEU 127 Ca 0.20 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3dn7 h LEU 127 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3dn7 h LEU 127 CO -0.18 1.18 -0.01 0.58 0.09 0.00 0.00 178.44 180.11 3dn7 h VAL 128 N 0.39 0.85 -0.08 1.22 2.07 -0.75 -1.39 116.25 118.57 3dn7 h VAL 128 Ca 0.00 -0.02 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 3dn7 h VAL 128 Cb 1.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3dn7 h VAL 128 CO 0.10 0.01 -0.63 1.88 0.02 0.00 0.00 177.57 178.95 3dn7 h TYR 129 N 0.05 0.37 -0.24 1.57 0.05 -0.34 -0.19 116.97 118.24 3dn7 h TYR 129 Ca 0.09 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.73 3dn7 h TYR 129 Cb 0.12 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3dn7 h TYR 129 CO -0.18 0.84 0.14 0.37 -1.05 0.00 0.00 178.16 178.28 3dn7 h GLN 130 N 0.21 0.29 -0.44 4.88 4.15 -0.85 0.57 115.11 123.91 3dn7 h GLN 130 Ca -0.01 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 3dn7 h GLN 130 Cb 1.16 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3dn7 h GLN 130 CO 0.10 0.19 -0.21 0.87 -1.93 0.00 0.00 178.83 177.85 3dn7 h LYS 131 N 0.30 0.90 -0.69 1.69 1.57 -1.13 -0.67 116.57 118.53 3dn7 h LYS 131 Ca 0.09 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3dn7 h LYS 131 Cb -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3dn7 h LYS 131 CO -0.04 1.02 0.29 0.77 -0.57 0.00 0.00 179.45 180.92 3dn7 h SER 132 N 0.78 0.95 -0.36 0.86 0.02 -0.80 -1.08 113.55 113.92 3dn7 h SER 132 Ca 0.10 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3dn7 h SER 132 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3dn7 h SER 132 CO 0.06 0.85 0.04 0.15 -1.14 0.00 0.00 176.83 176.79 3dn7 h PHE 133 N 0.98 0.66 -0.22 3.45 3.57 -0.70 -0.32 116.94 124.36 3dn7 h PHE 133 Ca 0.23 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3dn7 h PHE 133 Cb 0.19 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3dn7 h PHE 133 CO 0.01 0.68 0.10 0.00 -2.23 0.00 0.00 178.31 176.88 3dn7 h ALA 134 N 0.89 0.26 -1.00 2.41 0.00 -0.96 -0.05 119.26 120.80 3dn7 h ALA 134 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dn7 h ALA 134 Cb 0.40 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3dn7 h ALA 134 CO 0.01 -0.31 0.66 0.00 0.00 0.00 0.00 179.25 179.61 3dn7 h ALA 135 N 1.12 1.30 -0.61 0.00 0.00 -1.09 -2.06 119.26 117.92 3dn7 h ALA 135 Ca 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3dn7 h ALA 135 Cb 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3dn7 h ALA 135 CO -0.07 0.64 0.09 0.00 0.00 0.00 0.00 179.25 179.91 3dn7 h ALA 136 N 1.39 0.80 -0.23 0.00 0.00 -0.28 0.56 119.26 121.51 3dn7 h ALA 136 Ca 0.37 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3dn7 h ALA 136 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3dn7 h ALA 136 CO -0.09 0.56 0.00 1.96 0.00 0.00 0.00 179.25 181.69 3dn7 h GLN 137 N 0.91 0.07 -0.56 0.00 4.20 -0.70 -2.15 115.11 116.89 3dn7 h GLN 137 Ca 0.18 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3dn7 h GLN 137 Cb 0.43 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3dn7 h GLN 137 CO 0.01 0.05 0.22 -0.07 -0.67 0.00 0.00 178.83 178.37 3dn7 h LEU 138 N 0.08 0.77 -1.07 1.46 3.38 -1.11 -2.15 115.31 116.66 3dn7 h LEU 138 Ca 0.11 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.04 3dn7 h LEU 138 Cb 0.13 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 3dn7 h LEU 138 CO -0.18 0.73 0.62 0.03 0.09 0.00 0.00 178.44 179.73 3dn7 h ARG 139 N 0.76 0.86 -0.65 1.13 3.08 -0.72 0.78 114.38 119.62 3dn7 h ARG 139 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3dn7 h ARG 139 Cb 0.20 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3dn7 h ARG 139 CO -0.01 0.57 0.32 1.03 -1.07 0.00 0.00 179.97 180.80 3dn7 h SER 140 N 0.89 0.84 0.01 7.04 0.87 -0.72 0.18 113.55 122.67 3dn7 h SER 140 Ca 0.50 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3dn7 h SER 140 Cb 0.62 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3dn7 h SER 140 CO -0.27 0.73 -0.01 0.50 -0.53 0.00 0.00 176.83 177.25 3dn7 h LYS 141 N 0.89 -0.02 -0.27 2.24 3.64 -1.15 -3.13 116.57 118.78 3dn7 h LYS 141 Ca 0.22 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3dn7 h LYS 141 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3dn7 h LYS 141 CO -0.03 0.38 -0.15 0.74 -2.27 0.00 0.00 179.45 178.12 3dn7 h PHE 142 N -0.42 0.50 -0.73 1.91 0.04 -0.57 -2.56 116.94 115.10 3dn7 h PHE 142 Ca -0.00 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3dn7 h PHE 142 Cb 0.41 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3dn7 h PHE 142 CO 0.06 0.60 0.33 1.96 -0.60 0.00 0.00 178.31 180.66 3dn7 h GLN 143 N 0.43 1.07 0.00 1.51 1.08 -0.74 0.20 115.11 118.65 3dn7 h GLN 143 Ca 0.08 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3dn7 h GLN 143 Cb 0.52 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3dn7 h GLN 143 CO 0.03 0.85 0.00 1.58 -0.95 0.00 0.00 178.83 180.35 3dn7 n HIS 144 N -4.38 0.00 0.00 2.96 -0.00 -0.96 -5.11 115.22 107.72 3dn7 n HIS 144 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 3dn7 n HIS 144 Cb 0.15 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 3dn7 n HIS 144 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46