#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dn7 s ASN -1 N 0.00 0.15 0.00 -3.46 2.20 -1.26 -5.03 114.94 107.54 3dn7 s ASN -1 Ca 0.00 -1.22 0.00 0.00 -0.94 0.00 0.00 52.86 50.70 3dn7 s ASN -1 Cb 0.00 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.73 3dn7 s ASN -1 CO 0.00 -0.99 0.00 0.00 -2.94 0.00 0.00 177.10 173.17 3dn7 n ALA 0 N -0.34 0.79 0.00 3.54 0.00 -1.26 -0.91 120.51 122.33 3dn7 n ALA 0 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dn7 n ALA 0 Cb 0.64 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3dn7 n ALA 0 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dn7 n HIS 2 N 0.19 0.00 -0.27 0.00 8.25 -1.26 -1.36 115.22 120.77 3dn7 n HIS 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3dn7 n HIS 2 Cb 0.00 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.27 3dn7 n HIS 2 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3dn7 h THR 3 N 0.00 0.88 -0.70 1.59 2.02 -1.43 -0.87 112.91 114.41 3dn7 h THR 3 Ca 0.00 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3dn7 h THR 3 Cb 0.00 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.47 3dn7 h THR 3 CO 0.00 0.13 0.46 0.00 0.37 0.00 0.00 175.52 176.48 3dn7 h ALA 4 N 1.45 0.89 -0.20 6.16 0.00 -1.47 -0.50 119.26 125.59 3dn7 h ALA 4 Ca 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3dn7 h ALA 4 Cb 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dn7 h ALA 4 CO -0.26 0.28 -0.10 1.25 0.00 0.00 0.00 179.25 180.42 3dn7 h LEU 5 N 0.92 0.43 -0.44 0.00 5.85 -1.71 -2.22 115.31 118.14 3dn7 h LEU 5 Ca 0.26 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3dn7 h LEU 5 Cb -0.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3dn7 h LEU 5 CO -0.07 0.75 0.26 0.40 -0.34 0.00 0.00 178.44 179.44 3dn7 h ILE 6 N 0.10 1.14 -0.54 4.05 2.04 -0.95 -0.55 117.51 122.80 3dn7 h ILE 6 Ca 0.04 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3dn7 h ILE 6 Cb 0.59 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3dn7 h ILE 6 CO 0.03 0.14 0.26 0.78 0.00 0.00 0.00 178.15 179.36 3dn7 h ASN 7 N 0.58 0.37 -0.29 1.72 2.35 -1.09 -0.20 115.58 119.01 3dn7 h ASN 7 Ca 0.16 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3dn7 h ASN 7 Cb -0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3dn7 h ASN 7 CO -0.03 0.25 0.07 -0.74 -1.65 0.00 0.00 177.43 175.33 3dn7 h HIS 8 N 0.51 0.50 -0.96 1.19 2.76 -1.02 -2.44 115.15 115.69 3dn7 h HIS 8 Ca 0.24 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3dn7 h HIS 8 Cb 0.17 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 3dn7 h HIS 8 CO -0.11 0.55 0.62 0.82 -1.30 0.00 0.00 177.93 178.51 3dn7 h ILE 9 N 0.31 1.25 0.00 6.26 2.04 -0.78 -1.94 117.51 124.65 3dn7 h ILE 9 Ca 0.09 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3dn7 h ILE 9 Cb 0.30 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3dn7 h ILE 9 CO 0.00 0.25 0.00 0.54 0.00 0.00 0.00 178.15 178.94 3dn7 n ARG 10 N -4.40 0.19 0.26 2.37 1.74 -0.12 -1.12 116.66 115.59 3dn7 n ARG 10 Ca 0.11 0.43 0.09 0.00 -0.77 0.00 0.00 57.85 57.71 3dn7 n ARG 10 Cb 0.02 -1.87 0.68 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 -0.88 -3.36 116.57 119.46 3dn7 h LYS 11 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3dn7 h LYS 11 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3dn7 h LYS 11 CO 0.00 0.05 -1.12 1.19 -0.57 0.00 0.00 179.45 179.00 3dn7 n PHE 12 N -4.26 0.00 -4.15 -1.35 3.72 -0.27 -5.07 117.46 106.07 3dn7 n PHE 12 Ca -0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 3dn7 n PHE 12 Cb 0.13 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.09 0.05 -0.01 4.37 -4.36 -0.71 -4.86 121.20 113.59 3dn7 s ILE 13 Ca -0.01 -1.88 -0.22 0.00 -0.26 0.00 0.00 60.65 58.28 3dn7 s ILE 13 Cb 0.01 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 3dn7 s ILE 13 CO 0.08 -0.24 0.65 0.12 0.24 0.00 0.00 174.94 175.79 3dn7 s PHE 14 N -4.09 3.67 -0.06 1.37 5.36 -1.26 -4.27 117.98 118.70 3dn7 s PHE 14 Ca 0.30 1.26 -0.03 0.00 -0.96 0.00 0.00 56.93 57.50 3dn7 s PHE 14 Cb 0.07 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.09 3dn7 s PHE 14 CO 0.06 0.27 0.12 -1.17 -1.46 0.00 0.00 175.22 173.05 3dn7 s LEU 15 N 0.07 0.22 0.80 6.12 2.96 -1.26 -4.99 118.68 122.60 3dn7 s LEU 15 Ca 0.34 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 3dn7 s LEU 15 Cb -0.19 0.16 0.07 0.00 0.50 0.00 0.00 46.19 46.74 3dn7 s LEU 15 CO 0.18 -0.22 1.10 0.42 -1.32 0.00 0.00 176.35 176.52 3dn7 s THR 16 N 1.96 3.01 0.35 3.68 -4.23 -1.26 -4.89 115.64 114.26 3dn7 s THR 16 Ca 0.00 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 3dn7 s THR 16 Cb -0.12 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.82 3dn7 s THR 16 CO -0.05 -0.43 1.93 0.44 -0.54 0.00 0.00 174.62 175.97 3dn7 h ASP 17 N -1.09 0.56 -0.53 3.99 3.32 -2.01 -0.83 116.42 119.84 3dn7 h ASP 17 Ca -0.47 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.43 3dn7 h ASP 17 Cb 1.27 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3dn7 h ASP 17 CO 0.60 0.54 0.01 -0.33 -1.72 0.00 0.00 179.24 178.34 3dn7 h GLU 18 N 0.61 0.93 -0.59 3.56 4.39 -2.00 -2.10 114.58 119.38 3dn7 h GLU 18 Ca 0.14 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3dn7 h GLU 18 Cb 0.18 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3dn7 h GLU 18 CO -0.01 0.94 0.36 -0.44 -1.16 0.00 0.00 179.01 178.70 3dn7 h ASP 19 N 0.80 0.70 -0.46 1.42 3.32 -1.80 -1.78 116.42 118.62 3dn7 h ASP 19 Ca 0.15 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3dn7 h ASP 19 Cb 0.52 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3dn7 h ASP 19 CO 0.03 0.55 0.22 0.00 -1.72 0.00 0.00 179.24 178.31 3dn7 h ALA 20 N 1.18 0.57 -0.17 3.45 0.00 -0.92 0.13 119.26 123.51 3dn7 h ALA 20 Ca 0.21 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3dn7 h ALA 20 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dn7 h ALA 20 CO -0.04 -0.14 0.08 0.78 0.00 0.00 0.00 179.25 179.93 3dn7 h GLY 21 N 0.44 0.22 0.60 0.00 0.00 -1.20 -1.09 103.07 102.03 3dn7 h GLY 21 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3dn7 h GLY 21 CO -0.15 0.05 -0.22 -0.84 0.00 0.00 0.00 176.54 175.37 3dn7 h THR 22 N 0.17 0.50 -0.66 4.70 2.02 -1.10 -2.43 112.91 116.11 3dn7 h THR 22 Ca 0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3dn7 h THR 22 Cb 0.02 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3dn7 h THR 22 CO -0.05 0.00 0.43 0.25 0.37 0.00 0.00 175.52 176.52 3dn7 h LEU 23 N -0.40 0.76 -1.08 2.58 6.46 -0.67 -2.78 115.31 120.18 3dn7 h LEU 23 Ca 0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3dn7 h LEU 23 Cb 0.43 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 3dn7 h LEU 23 CO -0.14 0.55 0.54 0.28 -0.62 0.00 0.00 178.44 179.06 3dn7 h SER 24 N 0.89 1.03 -0.86 1.25 0.02 -0.91 -1.92 113.55 113.05 3dn7 h SER 24 Ca 0.24 -0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.33 3dn7 h SER 24 Cb -0.09 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.13 3dn7 h SER 24 CO -0.05 0.77 0.57 0.00 -1.14 0.00 0.00 176.83 176.98 3dn7 h ALA 25 N 1.41 2.21 0.00 3.77 0.00 -1.15 -1.16 119.26 124.35 3dn7 h ALA 25 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3dn7 h ALA 25 Cb -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3dn7 h ALA 25 CO -0.06 -0.47 -0.10 0.74 0.00 0.00 0.00 179.25 179.36 3dn7 h PHE 26 N 0.39 0.00 -3.23 0.00 0.04 -1.41 -3.45 116.94 109.28 3dn7 h PHE 26 Ca 0.44 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.60 3dn7 h PHE 26 Cb 1.11 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.13 3dn7 h PHE 26 CO -0.00 0.10 -0.50 -0.06 -0.60 0.00 0.00 178.31 177.25 3dn7 s PHE 27 N -3.25 3.40 -0.13 -0.55 0.08 -0.44 -4.62 117.98 112.47 3dn7 s PHE 27 Ca 0.05 0.31 -0.05 0.00 0.12 0.00 0.00 56.93 57.36 3dn7 s PHE 27 Cb 0.06 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 3dn7 s PHE 27 CO 0.66 0.30 0.07 -0.65 -0.10 0.00 0.00 175.22 175.51 3dn7 s GLN 28 N 0.26 3.46 0.17 0.44 -0.21 0.02 -4.85 119.66 118.94 3dn7 s GLN 28 Ca 0.08 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 54.87 3dn7 s GLN 28 Cb -0.11 -3.07 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 3dn7 s GLN 28 CO -0.01 0.60 1.22 -0.51 -2.12 0.00 0.00 175.29 174.47 3dn7 s LEU 29 N -0.55 4.43 -0.04 2.90 1.02 -1.26 -0.81 118.68 124.37 3dn7 s LEU 29 Ca 0.11 2.23 -0.02 0.00 0.02 0.00 0.00 54.13 56.47 3dn7 s LEU 29 Cb -0.12 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.52 3dn7 s LEU 29 CO 0.02 -0.42 0.05 -0.75 0.02 0.00 0.00 176.35 175.28 3dn7 s LYS 30 N 0.01 -0.01 -0.14 1.70 2.47 0.09 -4.95 119.74 118.92 3dn7 s LYS 30 Ca 0.55 0.33 -0.03 0.00 -1.56 0.00 0.00 55.97 55.26 3dn7 s LYS 30 Cb -0.33 -0.53 -0.03 0.00 -1.46 0.00 0.00 37.83 35.48 3dn7 s LYS 30 CO 0.35 -0.31 -0.04 0.15 0.16 0.00 0.00 175.35 175.66 3dn7 s LYS 31 N 2.04 3.49 0.06 4.03 1.02 -1.26 -0.12 119.74 129.00 3dn7 s LYS 31 Ca 0.04 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.55 3dn7 s LYS 31 Cb -0.12 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 3dn7 s LYS 31 CO -0.03 0.33 -0.13 0.14 -0.92 0.00 0.00 175.35 174.74 3dn7 s VAL 32 N 0.12 1.00 0.70 3.17 -7.23 -0.86 -5.00 120.40 112.30 3dn7 s VAL 32 Ca -0.01 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 3dn7 s VAL 32 Cb -0.14 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3dn7 s VAL 32 CO 0.03 -0.23 1.07 -0.13 -0.31 0.00 0.00 175.10 175.53 3dn7 s ARG 33 N -1.63 2.93 0.65 4.82 1.81 -1.26 -0.99 118.95 125.28 3dn7 s ARG 33 Ca -0.03 0.70 -0.17 0.00 -1.72 0.00 0.00 55.73 54.51 3dn7 s ARG 33 Cb -0.10 -2.01 -0.02 0.00 -0.45 0.00 0.00 34.95 32.38 3dn7 s ARG 33 CO 0.02 -1.04 1.10 0.36 -0.68 0.00 0.00 175.30 175.05 3dn7 n LYS 34 N -3.05 0.87 -2.90 3.54 2.85 -1.25 -3.00 118.16 115.21 3dn7 n LYS 34 Ca 0.07 0.35 -0.22 0.00 -1.05 0.00 0.00 58.31 57.46 3dn7 n LYS 34 Cb 0.55 -2.33 0.02 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 -1.62 -4.14 -3.46 -1.58 5.02 -0.19 -4.96 118.16 107.23 3dn7 n LYS 35 Ca 0.15 0.91 -0.37 0.00 -2.02 0.00 0.00 58.31 56.97 3dn7 n LYS 35 Cb 0.48 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.70 3dn7 n LYS 35 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dn7 s GLU 36 N -5.58 4.22 -0.13 1.97 2.12 -1.16 -4.84 118.70 115.30 3dn7 s GLU 36 Ca 0.24 0.14 -0.26 0.00 0.36 0.00 0.00 54.97 55.46 3dn7 s GLU 36 Cb -0.11 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3dn7 s GLU 36 CO 0.30 0.10 0.83 0.99 -0.54 0.00 0.00 175.26 176.94 3dn7 s THR 37 N 0.89 4.91 -0.19 -1.70 2.01 -1.26 -1.02 115.64 119.27 3dn7 s THR 37 Ca 0.18 1.67 0.18 0.00 0.31 0.00 0.00 61.69 64.03 3dn7 s THR 37 Cb -0.14 -4.15 -0.27 0.00 0.01 0.00 0.00 72.50 67.95 3dn7 s THR 37 CO 0.06 0.08 0.48 0.18 -0.69 0.00 0.00 174.62 174.73 3dn7 n LEU 38 N 4.80 0.17 -3.67 4.42 4.77 0.10 -4.98 117.00 122.61 3dn7 n LEU 38 Ca 0.04 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 3dn7 n LEU 38 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 3dn7 n LEU 38 CO 0.49 0.04 0.30 -0.22 -1.33 0.00 0.00 177.39 176.66 3dn7 s LEU 39 N -4.00 -0.34 0.02 2.23 2.96 -1.10 -4.91 118.68 113.53 3dn7 s LEU 39 Ca -0.04 1.23 0.08 0.00 -0.22 0.00 0.00 54.13 55.18 3dn7 s LEU 39 Cb 0.12 2.08 -0.03 0.00 0.50 0.00 0.00 46.19 48.87 3dn7 s LEU 39 CO 0.77 -0.21 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.80 3dn7 s LYS 40 N 0.40 1.98 0.06 1.98 1.02 -1.26 -1.11 119.74 122.81 3dn7 s LYS 40 Ca -0.01 -1.01 -0.37 0.00 0.02 0.00 0.00 55.97 54.60 3dn7 s LYS 40 Cb -0.04 -2.05 -0.18 0.00 -0.52 0.00 0.00 37.83 35.03 3dn7 s LYS 40 CO -0.00 0.54 1.18 2.41 -0.92 0.00 0.00 175.35 178.56 3dn7 n THR 41 N 1.96 0.16 0.00 2.17 -1.04 -1.12 -1.76 114.28 114.66 3dn7 n THR 41 Ca -0.17 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 3dn7 n THR 41 Cb 0.52 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 2.03 3.40 3.74 3.41 0.00 0.65 -4.88 105.19 113.55 3dn7 n GLY 42 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3dn7 n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dn7 s GLU 43 N -0.81 4.79 0.08 1.61 2.12 -0.72 -4.47 118.70 121.30 3dn7 s GLU 43 Ca 0.00 1.50 -0.31 0.00 0.36 0.00 0.00 54.97 56.52 3dn7 s GLU 43 Cb 0.00 -3.31 -0.10 0.00 0.26 0.00 0.00 34.13 30.99 3dn7 s GLU 43 CO 0.00 0.40 1.92 -0.89 -0.54 0.00 0.00 175.26 176.15 3dn7 n ILE 44 N 1.90 0.60 -2.96 -3.70 2.08 -1.26 -0.57 119.36 115.44 3dn7 n ILE 44 Ca -0.01 -0.11 -0.42 0.00 0.56 0.00 0.00 62.75 62.78 3dn7 n ILE 44 Cb 0.48 -2.25 -0.05 0.00 -0.75 0.00 0.00 39.64 37.07 3dn7 n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3dn7 n ARG 46 N 6.26 -0.62 -4.94 0.00 1.74 -1.26 -4.02 116.66 113.82 3dn7 n ARG 46 Ca 0.03 -0.41 -0.28 0.00 -0.77 0.00 0.00 57.85 56.42 3dn7 n ARG 46 Cb 0.48 -0.88 -0.16 0.00 -1.02 0.00 0.00 32.46 30.88 3dn7 n ARG 46 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dn7 s ILE 47 N -0.03 1.62 -0.14 0.55 1.01 -1.26 -1.24 121.20 121.70 3dn7 s ILE 47 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 3dn7 s ILE 47 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3dn7 s ILE 47 CO 0.00 0.46 0.02 0.21 0.00 0.00 0.00 174.94 175.63 3dn7 s ASN 48 N 0.21 5.36 -0.10 3.58 2.47 0.10 -4.70 114.94 121.86 3dn7 s ASN 48 Ca -0.10 0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.26 3dn7 s ASN 48 Cb -0.14 -1.78 -0.02 0.00 -1.45 0.00 0.00 41.25 37.85 3dn7 s ASN 48 CO 0.04 0.25 -0.11 -0.31 -3.72 0.00 0.00 177.10 173.26 3dn7 s TYR 49 N -0.09 2.85 -0.19 0.43 2.02 -0.31 -1.50 117.35 120.55 3dn7 s TYR 49 Ca 0.05 -0.34 -0.08 0.00 -0.37 0.00 0.00 57.07 56.33 3dn7 s TYR 49 Cb -0.12 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3dn7 s TYR 49 CO 0.02 0.02 0.09 0.12 -1.57 0.00 0.00 175.55 174.23 3dn7 s PHE 50 N -0.13 3.31 -0.50 2.71 5.36 0.18 -0.26 117.98 128.65 3dn7 s PHE 50 Ca 0.00 0.16 -0.22 0.00 -0.96 0.00 0.00 56.93 55.91 3dn7 s PHE 50 Cb -0.13 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 3dn7 s PHE 50 CO 0.03 0.19 0.78 0.08 -1.46 0.00 0.00 175.22 174.84 3dn7 s VAL 51 N 0.42 4.64 -0.09 3.12 1.01 -0.66 -1.01 120.40 127.84 3dn7 s VAL 51 Ca 0.05 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 3dn7 s VAL 51 Cb -0.12 -4.38 -0.21 0.00 0.00 0.00 0.00 36.38 31.67 3dn7 s VAL 51 CO -0.00 -0.87 0.90 0.58 0.00 0.00 0.00 175.10 175.71 3dn7 h VAL 52 N 5.95 1.43 -3.65 2.92 2.07 -1.04 0.35 116.25 124.28 3dn7 h VAL 52 Ca -0.26 -1.72 -0.18 0.00 0.82 0.00 0.00 66.70 65.37 3dn7 h VAL 52 Cb 1.09 2.53 -0.23 0.00 -1.52 0.00 0.00 31.29 33.15 3dn7 h VAL 52 CO 1.00 0.42 -0.60 -0.75 0.02 0.00 0.00 177.57 177.66 3dn7 s LYS 53 N -3.00 0.29 0.00 1.57 2.20 -0.85 -4.57 119.74 115.37 3dn7 s LYS 53 Ca -0.16 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3dn7 s LYS 53 Cb -0.01 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3dn7 s LYS 53 CO 0.61 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.96 3dn7 n GLY 54 N 2.11 -0.12 3.62 5.54 0.00 -1.26 -0.51 105.19 114.57 3dn7 n GLY 54 Ca -0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 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 2.45 3.81 0.06 0.00 1.43 -0.20 -0.11 118.68 126.12 3dn7 s LEU 56 Ca -0.07 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 3dn7 s LEU 56 Cb -0.09 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3dn7 s LEU 56 CO -0.19 0.10 -0.16 0.00 0.23 0.00 0.00 176.35 176.33 3dn7 s ARG 57 N -2.90 0.96 -0.18 1.70 1.70 -0.02 -0.66 118.95 119.55 3dn7 s ARG 57 Ca 0.30 -0.90 -0.04 0.00 -0.47 0.00 0.00 55.73 54.62 3dn7 s ARG 57 Cb -0.11 -1.02 -0.02 0.00 -0.57 0.00 0.00 34.95 33.23 3dn7 s ARG 57 CO 0.23 0.24 -0.02 -1.17 -1.08 0.00 0.00 175.30 173.51 3dn7 s LEU 58 N -1.45 3.24 0.16 -1.89 2.96 -0.05 -1.65 118.68 120.01 3dn7 s LEU 58 Ca 0.02 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3dn7 s LEU 58 Cb -0.09 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3dn7 s LEU 58 CO 0.02 0.10 0.26 0.72 -1.32 0.00 0.00 176.35 176.14 3dn7 s PHE 59 N 0.76 0.47 0.19 5.38 -0.12 -0.40 -0.87 117.98 123.39 3dn7 s PHE 59 Ca -0.01 -0.83 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3dn7 s PHE 59 Cb -0.14 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 3dn7 s PHE 59 CO 0.02 -0.70 0.07 -0.59 -0.05 0.00 0.00 175.22 173.96 3dn7 s PHE 60 N -3.98 1.20 -0.20 3.49 -0.12 -0.80 0.18 117.98 117.74 3dn7 s PHE 60 Ca 0.19 -1.20 -0.08 0.00 -0.05 0.00 0.00 56.93 55.79 3dn7 s PHE 60 Cb 0.04 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 3dn7 s PHE 60 CO 0.01 -0.42 0.07 0.42 -0.05 0.00 0.00 175.22 175.25 3dn7 s ILE 61 N -3.90 4.70 0.61 -4.49 -1.09 -1.26 -0.66 121.20 115.11 3dn7 s ILE 61 Ca 0.31 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3dn7 s ILE 61 Cb 0.07 -3.14 0.12 0.00 -1.58 0.00 0.00 42.46 37.93 3dn7 s ILE 61 CO 0.08 0.42 0.83 -0.90 -1.23 0.00 0.00 174.94 174.14 3dn7 n ASP 62 N 3.91 0.91 0.29 3.58 5.68 -0.49 -4.89 116.55 125.54 3dn7 n ASP 62 Ca -0.16 -1.82 0.20 0.00 -0.50 0.00 0.00 54.79 52.51 3dn7 n ASP 62 Cb 0.52 -0.56 1.00 0.00 -1.14 0.00 0.00 41.12 40.95 3dn7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dn7 h GLU 63 N 0.00 0.00 -0.04 0.11 5.08 -1.99 -1.06 114.58 116.68 3dn7 h GLU 63 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3dn7 h GLU 63 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3dn7 h GLU 63 CO 0.27 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3dn7 n LYS 64 N -2.92 1.77 -0.88 2.33 5.02 -1.26 -4.92 118.16 117.29 3dn7 n LYS 64 Ca -0.02 -1.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 3dn7 n LYS 64 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3dn7 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dn7 n GLY 65 N 1.20 0.50 3.68 0.72 0.00 -0.40 -5.04 105.19 105.85 3dn7 n GLY 65 Ca 0.18 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 5.08 0.13 -0.61 1.01 -1.26 -4.77 121.20 118.78 3dn7 s ILE 66 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 3dn7 s ILE 66 Cb 0.00 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 3dn7 s ILE 66 CO 0.00 0.46 1.70 -1.61 0.00 0.00 0.00 174.94 175.49 3dn7 s GLU 67 N 0.32 4.17 -0.23 2.79 2.02 -1.26 -1.39 118.70 125.11 3dn7 s GLU 67 Ca 0.06 2.47 -0.02 0.00 0.02 0.00 0.00 54.97 57.50 3dn7 s GLU 67 Cb -0.12 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.73 3dn7 s GLU 67 CO -0.01 -0.74 -0.08 -0.65 0.02 0.00 0.00 175.26 173.80 3dn7 s GLN 68 N 2.07 3.05 -0.18 1.61 -1.52 0.16 -4.96 119.66 119.88 3dn7 s GLN 68 Ca 0.75 -0.83 -0.22 0.00 -1.95 0.00 0.00 55.36 53.11 3dn7 s GLN 68 Cb -0.44 -2.92 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 3dn7 s GLN 68 CO 0.33 -0.30 0.67 0.99 -0.25 0.00 0.00 175.29 176.73 3dn7 s THR 69 N 1.37 5.00 -0.08 -0.19 2.01 -1.26 -1.91 115.64 120.57 3dn7 s THR 69 Ca 0.03 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.39 3dn7 s THR 69 Cb -0.15 -3.99 -0.24 0.00 0.01 0.00 0.00 72.50 68.13 3dn7 s THR 69 CO -0.06 0.10 0.51 0.41 -0.69 0.00 0.00 174.62 174.90 3dn7 n THR 70 N 4.64 1.63 -3.75 -0.82 -1.04 -0.05 -5.00 114.28 109.89 3dn7 n THR 70 Ca -0.00 -0.76 -0.02 0.00 -2.04 0.00 0.00 64.05 61.23 3dn7 n THR 70 Cb 0.50 -1.18 -0.01 0.00 -1.82 0.00 0.00 70.33 67.82 3dn7 n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dn7 s GLN 71 N -2.58 1.00 0.37 -2.82 -2.07 -1.20 -5.02 119.66 107.34 3dn7 s GLN 71 Ca -0.11 -0.57 0.07 0.00 -1.82 0.00 0.00 55.36 52.93 3dn7 s GLN 71 Cb 0.07 0.33 -0.07 0.00 -1.09 0.00 0.00 33.01 32.25 3dn7 s GLN 71 CO 0.80 -0.46 -0.02 -0.06 -1.32 0.00 0.00 175.29 174.23 3dn7 s PHE 72 N -2.85 2.35 -0.08 9.60 0.08 -1.26 -0.87 117.98 124.95 3dn7 s PHE 72 Ca 0.15 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 3dn7 s PHE 72 Cb -0.00 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 3dn7 s PHE 72 CO 0.01 0.41 0.07 0.00 -0.10 0.00 0.00 175.22 175.62 3dn7 s ALA 73 N -2.79 0.25 0.26 5.36 0.00 0.17 -4.96 121.76 120.06 3dn7 s ALA 73 Ca 0.34 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.41 3dn7 s ALA 73 Cb 0.07 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dn7 s ALA 73 CO 0.17 -0.67 0.30 0.44 0.00 0.00 0.00 175.76 176.00 3dn7 n ILE 74 N 5.30 0.00 -1.54 0.00 -5.35 -1.26 -1.03 119.36 115.47 3dn7 n ILE 74 Ca -0.04 -0.67 -0.54 0.00 -0.27 0.00 0.00 62.75 61.23 3dn7 n ILE 74 Cb 0.50 -0.90 -0.06 0.00 -1.74 0.00 0.00 39.64 37.44 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 -1.49 0.64 -0.94 6.28 0.00 -1.21 -1.86 120.64 122.05 3dn7 n GLU 75 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3dn7 n GLU 75 Cb 0.22 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 29.90 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 2.02 -1.83 -4.92 -1.84 3.02 0.12 -5.00 115.26 106.82 3dn7 n ASN 76 Ca 0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.54 3dn7 n ASN 76 Cb 0.16 -0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 3dn7 n ASN 76 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3dn7 s TRP 77 N -2.53 2.93 0.09 3.10 0.52 -0.78 -4.91 118.94 117.36 3dn7 s TRP 77 Ca 0.00 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.89 3dn7 s TRP 77 Cb 0.00 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 3dn7 s TRP 77 CO 0.00 0.00 -0.18 -1.58 0.02 0.00 0.00 176.95 175.21 3dn7 s TRP 78 N -2.29 2.55 -0.08 -1.98 0.52 -1.26 -1.65 118.94 114.75 3dn7 s TRP 78 Ca 0.45 -0.26 -0.07 0.00 0.02 0.00 0.00 56.10 56.24 3dn7 s TRP 78 Cb -0.07 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.88 3dn7 s TRP 78 CO 0.29 0.34 0.20 -1.17 0.02 0.00 0.00 176.95 176.64 3dn7 s LEU 79 N -1.91 1.18 0.00 2.99 2.96 0.64 -4.93 118.68 119.62 3dn7 s LEU 79 Ca 0.17 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 3dn7 s LEU 79 Cb -0.11 0.69 0.05 0.00 0.50 0.00 0.00 46.19 47.32 3dn7 s LEU 79 CO 0.09 -0.08 0.68 -0.24 -1.32 0.00 0.00 176.35 175.48 3dn7 n SER 80 N 3.05 -1.97 -4.40 3.68 2.88 -1.26 -1.16 113.62 114.44 3dn7 n SER 80 Ca -0.13 -2.49 -0.44 0.00 -1.33 0.00 0.00 58.87 54.47 3dn7 n SER 80 Cb 0.58 3.32 -0.04 0.00 -0.75 0.00 0.00 64.21 67.32 3dn7 n SER 80 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dn7 s ASP 81 N -2.90 6.29 0.00 -3.46 -1.08 -1.26 -5.05 116.67 109.21 3dn7 s ASP 81 Ca 0.16 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.66 3dn7 s ASP 81 Cb -0.04 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3dn7 s ASP 81 CO 0.12 -1.13 0.82 -1.22 0.52 0.00 0.00 175.17 174.28 3dn7 n TYR 82 N 6.46 0.00 0.00 -5.34 4.01 -1.26 -0.25 117.16 120.79 3dn7 n TYR 82 Ca -0.01 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 3dn7 n TYR 82 Cb 0.44 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 1.36 0.00 0.10 -0.72 0.00 -1.26 -1.37 120.51 118.61 3dn7 n ALA 84 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3dn7 n ALA 84 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.46 0.00 0.00 3.57 -0.75 0.20 116.94 119.49 3dn7 h PHE 85 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3dn7 h PHE 85 Cb 0.00 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3dn7 h PHE 85 CO 0.00 -0.26 -0.42 -0.56 -2.23 0.00 0.00 178.31 174.84 3dn7 h GLN 86 N -0.34 0.00 -0.00 1.11 3.07 -1.47 -2.89 115.11 114.59 3dn7 h GLN 86 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 3dn7 h GLN 86 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 3dn7 h GLN 86 CO -0.10 0.42 -0.49 1.63 0.09 0.00 0.00 178.83 180.38 3dn7 n LYS 87 N -3.52 0.33 -3.46 0.06 4.76 -1.17 -4.97 118.16 110.19 3dn7 n LYS 87 Ca -0.00 -0.21 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 3dn7 n LYS 87 Cb 0.55 -1.50 0.09 0.00 -1.84 0.00 0.00 35.03 32.33 3dn7 n LYS 87 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dn7 n GLN 88 N -1.15 -6.65 -4.33 1.97 6.02 0.58 -5.01 117.38 108.81 3dn7 n GLN 88 Ca 0.08 0.84 -0.18 0.00 -0.01 0.00 0.00 57.00 57.72 3dn7 n GLN 88 Cb 0.35 -5.83 -0.10 0.00 1.02 0.00 0.00 30.24 25.67 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 -5.48 1.50 0.39 -1.09 -2.07 -0.56 -4.90 119.66 107.46 3dn7 s GLN 89 Ca 0.05 -1.84 -0.26 0.00 -1.82 0.00 0.00 55.36 51.49 3dn7 s GLN 89 Cb -0.02 -0.23 -0.11 0.00 -1.09 0.00 0.00 33.01 31.56 3dn7 s GLN 89 CO 0.73 -0.36 1.24 -2.30 -1.32 0.00 0.00 175.29 173.29 3dn7 n PRO 90 N -0.53 1.93 -2.46 9.60 -0.02 -1.26 -2.22 135.00 140.04 3dn7 n PRO 90 Ca 0.00 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.79 3dn7 n PRO 90 Cb 0.66 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.16 3.13 -0.29 3.55 0.00 0.26 -4.75 121.76 122.50 3dn7 s ALA 91 Ca 0.59 0.79 0.20 0.00 0.00 0.00 0.00 51.96 53.55 3dn7 s ALA 91 Cb -0.54 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.41 3dn7 s ALA 91 CO 0.60 -0.30 1.35 -0.44 0.00 0.00 0.00 175.76 176.96 3dn7 h ASP 92 N 2.65 0.00 -2.71 0.00 3.32 -1.90 0.19 116.42 117.97 3dn7 h ASP 92 Ca -0.48 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.04 3dn7 h ASP 92 Cb 1.22 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 3dn7 h ASP 92 CO 0.63 0.19 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.25 3dn7 s PHE 93 N -3.15 2.01 0.25 4.55 0.08 -1.26 -4.72 117.98 115.74 3dn7 s PHE 93 Ca 0.03 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.46 3dn7 s PHE 93 Cb 0.07 -0.98 -0.08 0.00 -0.57 0.00 0.00 43.02 41.47 3dn7 s PHE 93 CO 0.73 0.48 0.60 0.71 -0.10 0.00 0.00 175.22 177.64 3dn7 s TYR 94 N -2.79 3.42 -0.08 0.36 2.02 0.13 -2.78 117.35 117.61 3dn7 s TYR 94 Ca 0.27 0.97 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 3dn7 s TYR 94 Cb -0.01 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3dn7 s TYR 94 CO 0.11 0.23 -0.22 0.42 -1.57 0.00 0.00 175.55 174.52 3dn7 s ILE 95 N -1.85 2.26 -0.05 2.71 1.01 -0.27 -1.27 121.20 123.75 3dn7 s ILE 95 Ca 0.49 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3dn7 s ILE 95 Cb -0.11 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3dn7 s ILE 95 CO 0.20 0.56 0.21 -1.58 0.00 0.00 0.00 174.94 174.33 3dn7 s GLN 96 N 0.07 0.37 0.42 2.79 0.74 -0.66 0.02 119.66 123.41 3dn7 s GLN 96 Ca -0.10 0.04 -0.24 0.00 0.05 0.00 0.00 55.36 55.11 3dn7 s GLN 96 Cb -0.16 0.17 -0.08 0.00 1.10 0.00 0.00 33.01 34.04 3dn7 s GLN 96 CO 0.06 -0.07 1.14 -1.54 -0.55 0.00 0.00 175.29 174.32 3dn7 s SER 97 N -0.49 6.47 -0.25 6.67 1.04 -0.19 -0.84 113.70 126.11 3dn7 s SER 97 Ca -0.06 2.26 0.02 0.00 0.48 0.00 0.00 55.95 58.65 3dn7 s SER 97 Cb -0.04 -2.60 -0.18 0.00 0.10 0.00 0.00 66.02 63.30 3dn7 s SER 97 CO 0.01 -0.71 -0.18 0.52 0.98 0.00 0.00 173.24 173.86 3dn7 n VAL 98 N -0.13 1.50 -4.62 5.02 0.31 0.84 -1.02 118.33 120.23 3dn7 n VAL 98 Ca 0.05 -0.59 -0.28 0.00 -0.01 0.00 0.00 64.34 63.52 3dn7 n VAL 98 Cb 0.48 -1.39 -0.10 0.00 -0.91 0.00 0.00 33.84 31.92 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 -2.52 1.97 0.33 5.55 2.02 -1.21 -4.49 118.70 120.36 3dn7 s GLU 99 Ca -0.33 -2.17 -0.29 0.00 0.02 0.00 0.00 54.97 52.20 3dn7 s GLU 99 Cb 0.09 -1.33 -0.12 0.00 0.10 0.00 0.00 34.13 32.87 3dn7 s GLU 99 CO 0.62 -0.23 1.44 0.09 0.02 0.00 0.00 175.26 177.20 3dn7 n ASN 100 N -1.05 3.39 -4.24 -0.19 3.02 -1.26 -3.81 115.26 111.12 3dn7 n ASN 100 Ca -0.09 1.20 -0.19 0.00 -0.03 0.00 0.00 54.58 55.47 3dn7 n ASN 100 Cb 0.67 -1.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.17 3dn7 n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dn7 s GLU 102 N -2.50 3.11 0.14 0.00 2.02 0.33 -2.03 118.70 119.78 3dn7 s GLU 102 Ca 0.08 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.34 3dn7 s GLU 102 Cb -0.06 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3dn7 s GLU 102 CO 0.03 -0.03 -0.17 -0.51 0.02 0.00 0.00 175.26 174.60 3dn7 s LEU 103 N 0.89 2.40 -0.11 1.80 1.43 0.82 -0.35 118.68 125.56 3dn7 s LEU 103 Ca -0.04 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3dn7 s LEU 103 Cb -0.15 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3dn7 s LEU 103 CO -0.02 -0.07 -0.13 -0.76 0.23 0.00 0.00 176.35 175.60 3dn7 s LEU 104 N -2.45 2.74 0.07 1.79 1.43 -0.18 -0.73 118.68 121.35 3dn7 s LEU 104 Ca 0.11 -0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3dn7 s LEU 104 Cb -0.06 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3dn7 s LEU 104 CO 0.05 0.22 -0.24 -0.94 0.23 0.00 0.00 176.35 175.67 3dn7 s SER 105 N 0.05 3.42 0.02 2.29 1.04 0.01 -0.65 113.70 119.87 3dn7 s SER 105 Ca -0.05 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.81 3dn7 s SER 105 Cb -0.14 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 3dn7 s SER 105 CO 0.04 0.24 -0.03 -0.51 0.98 0.00 0.00 173.24 173.95 3dn7 s ILE 106 N -0.92 0.21 0.49 -1.02 2.07 -0.56 -0.80 121.20 120.67 3dn7 s ILE 106 Ca 0.13 -0.62 -0.06 0.00 -1.41 0.00 0.00 60.65 58.70 3dn7 s ILE 106 Cb -0.10 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 3dn7 s ILE 106 CO 0.04 -0.26 0.81 0.42 -1.91 0.00 0.00 174.94 174.04 3dn7 s THR 107 N -0.89 4.88 0.17 4.00 -4.23 -1.26 -0.72 115.64 117.59 3dn7 s THR 107 Ca -0.08 0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.55 3dn7 s THR 107 Cb -0.06 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 70.01 3dn7 s THR 107 CO -0.00 -0.86 1.66 0.22 -0.54 0.00 0.00 174.62 175.10 3dn7 h TYR 108 N 0.25 -0.25 -0.67 3.99 3.20 -1.53 0.29 116.97 122.24 3dn7 h TYR 108 Ca -0.47 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 3dn7 h TYR 108 Cb 1.20 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 3dn7 h TYR 108 CO 0.59 -0.19 0.17 1.15 -1.64 0.00 0.00 178.16 178.24 3dn7 h THR 109 N -0.02 1.26 -0.45 1.81 2.02 -1.94 -0.65 112.91 114.93 3dn7 h THR 109 Ca 0.19 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 3dn7 h THR 109 Cb 0.31 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3dn7 h THR 109 CO -0.42 0.36 0.03 -0.33 0.37 0.00 0.00 175.52 175.54 3dn7 h GLU 110 N 1.00 0.77 -0.66 6.66 5.08 -1.84 -1.52 114.58 124.08 3dn7 h GLU 110 Ca 0.21 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3dn7 h GLU 110 Cb 0.36 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3dn7 h GLU 110 CO 0.00 0.82 0.34 0.37 -1.00 0.00 0.00 179.01 179.54 3dn7 h GLN 111 N 0.63 0.93 -0.45 2.33 4.15 -0.06 0.38 115.11 123.01 3dn7 h GLN 111 Ca 0.13 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3dn7 h GLN 111 Cb 0.45 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 3dn7 h GLN 111 CO 0.02 0.72 0.24 0.93 -1.93 0.00 0.00 178.83 178.80 3dn7 h GLU 112 N 0.90 0.46 -0.81 1.69 4.39 -0.98 -1.20 114.58 119.03 3dn7 h GLU 112 Ca 0.23 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.94 3dn7 h GLU 112 Cb 0.08 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 3dn7 h GLU 112 CO -0.03 0.30 0.51 -0.97 -1.16 0.00 0.00 179.01 177.66 3dn7 h ASN 113 N 0.47 0.84 -0.52 1.42 -1.24 -0.90 -2.78 115.58 112.88 3dn7 h ASN 113 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 3dn7 h ASN 113 Cb 0.08 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3dn7 h ASN 113 CO -0.13 0.57 0.28 0.25 -1.29 0.00 0.00 177.43 177.11 3dn7 h LEU 114 N 0.98 0.65 -1.06 0.34 5.85 -0.50 0.52 115.31 122.09 3dn7 h LEU 114 Ca 0.33 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.06 3dn7 h LEU 114 Cb 0.05 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 3dn7 h LEU 114 CO -0.13 0.56 0.62 -0.26 -0.34 0.00 0.00 178.44 178.89 3dn7 h PHE 115 N 0.69 1.10 -0.14 1.25 0.04 -1.07 0.30 116.94 119.12 3dn7 h PHE 115 Ca 0.18 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 3dn7 h PHE 115 Cb 0.05 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 3dn7 h PHE 115 CO -0.02 0.48 -0.05 1.49 -0.60 0.00 0.00 178.31 179.62 3dn7 h GLU 116 N 1.00 0.27 -0.35 1.51 4.81 -1.10 -3.09 114.58 117.62 3dn7 h GLU 116 Ca 0.46 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3dn7 h GLU 116 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3dn7 h GLU 116 CO -0.22 0.58 -0.17 0.00 -0.73 0.00 0.00 179.01 178.47 3dn7 h ARG 117 N -0.05 0.74 -2.91 1.92 2.47 -0.32 -3.37 114.38 112.86 3dn7 h ARG 117 Ca 0.03 -0.32 -0.61 0.00 -1.26 0.00 0.00 59.98 57.82 3dn7 h ARG 117 Cb 0.49 -0.02 -0.41 0.00 -1.65 0.00 0.00 29.97 28.38 3dn7 h ARG 117 CO 0.02 0.93 -0.71 0.42 0.56 0.00 0.00 179.97 181.19 3dn7 s ILE 118 N -4.63 1.93 0.38 2.04 1.01 0.10 -4.96 121.20 117.07 3dn7 s ILE 118 Ca -0.12 -3.44 0.36 0.00 0.00 0.00 0.00 60.65 57.44 3dn7 s ILE 118 Cb 0.10 -2.30 0.39 0.00 0.01 0.00 0.00 42.46 40.66 3dn7 s ILE 118 CO 0.82 -1.02 2.15 -0.65 0.00 0.00 0.00 174.94 176.24 3dn7 h PRO 119 N 5.82 0.00 -0.58 2.79 0.11 -1.71 -1.62 132.00 136.82 3dn7 h PRO 119 Ca 0.13 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.40 3dn7 h PRO 119 Cb 0.84 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3dn7 h PRO 119 CO 0.58 0.03 0.51 0.00 -0.21 0.00 0.00 178.00 178.91 3dn7 h ALA 120 N 1.97 2.41 0.00 -0.75 0.00 -1.93 -1.50 119.26 119.46 3dn7 h ALA 120 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dn7 h ALA 120 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dn7 h ALA 120 CO 0.00 -0.81 0.00 -0.07 0.00 0.00 0.00 179.25 178.38 3dn7 h LEU 121 N 0.00 0.00 -0.56 0.00 3.38 -1.63 -2.39 115.31 114.11 3dn7 h LEU 121 Ca 0.28 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.31 3dn7 h LEU 121 Cb 1.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3dn7 h LEU 121 CO -0.00 0.00 0.26 -0.33 0.09 0.00 0.00 178.44 178.46 3dn7 h GLU 122 N 0.00 0.48 -0.62 1.13 4.39 -1.48 -0.38 114.58 118.10 3dn7 h GLU 122 Ca 0.00 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3dn7 h GLU 122 Cb 0.18 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3dn7 h GLU 122 CO 0.00 0.32 0.21 -0.09 -1.16 0.00 0.00 179.01 178.28 3dn7 h ARG 123 N 0.49 0.95 0.22 2.33 2.43 -1.63 0.12 114.38 119.31 3dn7 h ARG 123 Ca 0.26 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dn7 h ARG 123 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3dn7 h ARG 123 CO -0.21 0.84 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.96 3dn7 h TYR 124 N 0.88 -0.56 0.00 2.20 3.20 -1.44 -1.12 116.97 120.13 3dn7 h TYR 124 Ca 0.20 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3dn7 h TYR 124 Cb 0.27 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3dn7 h TYR 124 CO 0.02 -0.32 -0.42 0.74 -1.64 0.00 0.00 178.16 176.55 3dn7 h PHE 125 N -0.46 0.00 -0.45 -3.82 0.04 -1.03 -0.27 116.94 110.94 3dn7 h PHE 125 Ca -0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.80 3dn7 h PHE 125 Cb 0.43 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.54 3dn7 h PHE 125 CO -0.15 0.42 0.23 -0.09 -0.60 0.00 0.00 178.31 178.12 3dn7 h ARG 126 N 0.00 0.45 -0.43 1.51 1.12 -0.55 0.29 114.38 116.77 3dn7 h ARG 126 Ca -0.00 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.78 3dn7 h ARG 126 Cb 0.84 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 3dn7 h ARG 126 CO 0.05 0.30 0.03 -0.07 -3.11 0.00 0.00 179.97 177.18 3dn7 h LEU 127 N 0.46 0.71 -0.18 3.80 3.38 -0.73 0.37 115.31 123.12 3dn7 h LEU 127 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dn7 h LEU 127 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3dn7 h LEU 127 CO -0.13 0.82 0.11 0.58 0.09 0.00 0.00 178.44 179.91 3dn7 h VAL 128 N 0.57 1.04 -0.10 1.22 2.07 -0.84 -1.63 116.25 118.58 3dn7 h VAL 128 Ca 0.12 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.42 3dn7 h VAL 128 Cb 0.44 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3dn7 h VAL 128 CO 0.02 0.04 -0.58 1.88 0.02 0.00 0.00 177.57 178.95 3dn7 h TYR 129 N 0.23 0.39 -0.26 1.57 0.05 -0.90 0.86 116.97 118.92 3dn7 h TYR 129 Ca 0.07 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 3dn7 h TYR 129 Cb -0.02 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3dn7 h TYR 129 CO -0.07 0.81 0.14 0.37 -1.05 0.00 0.00 178.16 178.36 3dn7 h GLN 130 N 0.24 0.36 -0.53 4.88 4.15 -0.79 0.77 115.11 124.19 3dn7 h GLN 130 Ca -0.00 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3dn7 h GLN 130 Cb 1.08 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 3dn7 h GLN 130 CO 0.09 0.32 -0.09 0.87 -1.93 0.00 0.00 178.83 178.09 3dn7 h LYS 131 N 0.31 1.00 -0.47 1.69 1.57 -1.15 -0.83 116.57 118.69 3dn7 h LYS 131 Ca 0.09 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3dn7 h LYS 131 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dn7 h LYS 131 CO -0.01 1.04 0.17 0.77 -0.57 0.00 0.00 179.45 180.85 3dn7 h SER 132 N 0.87 0.67 -0.49 0.86 0.02 -0.64 -1.44 113.55 113.41 3dn7 h SER 132 Ca 0.14 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 3dn7 h SER 132 Cb 0.66 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3dn7 h SER 132 CO 0.05 0.68 0.12 0.15 -1.14 0.00 0.00 176.83 176.69 3dn7 h PHE 133 N 0.63 0.82 -0.54 3.45 3.57 -0.77 -0.40 116.94 123.68 3dn7 h PHE 133 Ca 0.16 -0.10 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3dn7 h PHE 133 Cb 0.23 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 3dn7 h PHE 133 CO 0.01 0.73 0.10 0.00 -2.23 0.00 0.00 178.31 176.92 3dn7 h ALA 134 N 0.99 0.62 -0.52 2.41 0.00 -0.99 0.04 119.26 121.80 3dn7 h ALA 134 Ca 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3dn7 h ALA 134 Cb 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dn7 h ALA 134 CO 0.00 -0.31 0.24 0.00 0.00 0.00 0.00 179.25 179.18 3dn7 h ALA 135 N 1.43 0.68 -0.84 0.00 0.00 -1.02 -2.47 119.26 117.04 3dn7 h ALA 135 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dn7 h ALA 135 Cb 0.40 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3dn7 h ALA 135 CO -0.37 0.25 0.45 0.00 0.00 0.00 0.00 179.25 179.58 3dn7 h ALA 136 N 1.08 1.08 -0.25 0.00 0.00 -0.38 -0.31 119.26 120.47 3dn7 h ALA 136 Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dn7 h ALA 136 Cb 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3dn7 h ALA 136 CO -0.02 0.60 0.00 1.96 0.00 0.00 0.00 179.25 181.79 3dn7 h GLN 137 N 1.17 0.08 -0.79 0.00 4.20 -0.76 -1.64 115.11 117.37 3dn7 h GLN 137 Ca 0.29 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.02 3dn7 h GLN 137 Cb 0.05 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3dn7 h GLN 137 CO -0.05 0.05 0.52 -0.07 -0.67 0.00 0.00 178.83 178.61 3dn7 h LEU 138 N 0.08 0.88 -1.48 1.46 3.38 -1.23 -2.23 115.31 116.17 3dn7 h LEU 138 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dn7 h LEU 138 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3dn7 h LEU 138 CO -0.20 0.63 0.32 0.03 0.09 0.00 0.00 178.44 179.31 3dn7 h ARG 139 N 1.04 0.67 -0.74 1.13 3.08 -0.61 -1.86 114.38 117.10 3dn7 h ARG 139 Ca 0.30 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 3dn7 h ARG 139 Cb -0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3dn7 h ARG 139 CO -0.08 0.45 0.28 0.66 -1.07 0.00 0.00 179.97 180.21 3dn7 h SER 140 N 0.68 1.03 -0.84 7.04 4.64 -0.69 0.54 113.55 125.95 3dn7 h SER 140 Ca 0.18 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3dn7 h SER 140 Cb -0.06 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.72 3dn7 h SER 140 CO -0.04 0.92 0.50 0.50 -0.87 0.00 0.00 176.83 177.84 3dn7 h LYS 141 N 1.08 1.15 0.06 4.77 3.64 -1.15 0.51 116.57 126.64 3dn7 h LYS 141 Ca 0.25 -0.11 -0.24 0.00 -1.27 0.00 0.00 60.65 59.27 3dn7 h LYS 141 Cb 0.23 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3dn7 h LYS 141 CO -0.02 0.81 -1.14 0.74 -2.27 0.00 0.00 179.45 177.58 3dn7 h PHE 142 N 1.16 0.25 -0.29 1.91 0.04 -0.93 -3.16 116.94 115.91 3dn7 h PHE 142 Ca 0.30 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 3dn7 h PHE 142 Cb -0.03 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3dn7 h PHE 142 CO -0.00 1.14 0.00 1.96 -0.60 0.00 0.00 178.31 180.82 3dn7 h GLN 143 N 0.04 0.44 -0.00 1.51 4.20 0.34 -3.52 115.11 118.12 3dn7 h GLN 143 Ca -0.08 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3dn7 h GLN 143 Cb 1.88 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3dn7 h GLN 143 CO 0.17 0.47 0.00 0.72 -0.67 0.00 0.00 178.83 179.51