#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxu s HIS 2 N 0.00 2.88 -0.02 3.17 5.04 -1.26 -4.56 115.29 120.55 1dxu s HIS 2 Ca 0.00 -0.42 0.05 0.00 -1.54 0.00 0.00 55.06 53.15 1dxu s HIS 2 Cb 0.00 -3.92 -0.01 0.00 0.04 0.00 0.00 32.58 28.69 1dxu s HIS 2 CO 0.00 -1.29 -0.17 -0.51 -2.34 0.00 0.00 174.74 170.43 1dxu s LEU 3 N 3.36 2.02 0.64 8.88 1.43 -1.26 -5.09 118.68 128.66 1dxu s LEU 3 Ca 0.21 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1dxu s LEU 3 Cb -0.17 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1dxu s LEU 3 CO 0.13 0.20 1.05 0.42 0.23 0.00 0.00 176.35 178.39 1dxu s THR 4 N -0.35 3.95 0.28 5.49 -4.23 -1.26 -4.80 115.64 114.71 1dxu s THR 4 Ca 0.06 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1dxu s THR 4 Cb -0.07 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1dxu s THR 4 CO -0.00 -0.68 1.71 -0.65 -0.54 0.00 0.00 174.62 174.45 1dxu h PRO 5 N -0.07 0.41 -0.28 3.99 0.11 -2.00 0.72 132.00 134.88 1dxu h PRO 5 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1dxu h PRO 5 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1dxu h PRO 5 CO 0.57 0.27 -0.25 0.93 -0.21 0.00 0.00 178.00 179.31 1dxu h GLU 6 N 0.42 0.55 -0.30 1.05 4.39 -1.99 -1.64 114.58 117.06 1dxu h GLU 6 Ca 0.51 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 1dxu h GLU 6 Cb 0.90 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1dxu h GLU 6 CO -0.49 0.75 -0.05 0.93 -1.16 0.00 0.00 179.01 178.99 1dxu h GLU 7 N 0.48 0.56 0.01 2.33 5.08 -1.27 -1.40 114.58 120.37 1dxu h GLU 7 Ca 0.07 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1dxu h GLU 7 Cb 0.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1dxu h GLU 7 CO 0.05 0.74 -0.00 0.87 -1.00 0.00 0.00 179.01 179.67 1dxu h LYS 8 N 0.33 -0.01 -0.46 2.33 1.79 -1.08 -1.81 116.57 117.67 1dxu h LYS 8 Ca 0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1dxu h LYS 8 Cb 0.52 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1dxu h LYS 8 CO 0.03 0.05 0.21 0.66 -1.08 0.00 0.00 179.45 179.32 1dxu h SER 9 N -0.08 0.57 -0.37 0.86 4.64 -1.27 -0.09 113.55 117.81 1dxu h SER 9 Ca -0.00 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1dxu h SER 9 Cb 0.07 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1dxu h SER 9 CO 0.00 0.49 0.21 0.00 -0.87 0.00 0.00 176.83 176.67 1dxu h ALA 10 N 1.60 0.47 0.30 5.18 0.00 -0.78 -1.15 119.26 124.88 1dxu h ALA 10 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dxu h ALA 10 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dxu h ALA 10 CO -0.02 -0.13 -0.14 0.28 0.00 0.00 0.00 179.25 179.23 1dxu h VAL 11 N 0.43 0.73 -0.68 0.00 2.07 -0.69 -2.85 116.25 115.26 1dxu h VAL 11 Ca 0.15 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1dxu h VAL 11 Cb 0.01 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1dxu h VAL 11 CO -0.07 0.10 0.43 0.74 0.02 0.00 0.00 177.57 178.78 1dxu h THR 12 N -0.68 1.10 -0.20 2.57 2.02 -0.99 -1.63 112.91 115.09 1dxu h THR 12 Ca -0.04 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1dxu h THR 12 Cb 0.47 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1dxu h THR 12 CO 0.07 0.15 0.09 0.00 0.37 0.00 0.00 175.52 176.20 1dxu h ALA 13 N 1.29 0.26 -0.54 6.16 0.00 -1.25 -2.60 119.26 122.58 1dxu h ALA 13 Ca 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dxu h ALA 13 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1dxu h ALA 13 CO -0.10 -0.16 0.09 1.25 0.00 0.00 0.00 179.25 180.32 1dxu h LEU 14 N 0.19 0.86 -1.75 0.00 7.12 -1.36 -3.00 115.31 117.37 1dxu h LEU 14 Ca 0.07 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.79 1dxu h LEU 14 Cb 0.14 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1dxu h LEU 14 CO -0.01 0.91 -0.10 -0.25 -0.13 0.00 0.00 178.44 178.86 1dxu h TRP 15 N 0.79 0.03 -0.05 1.25 2.91 -1.16 -1.98 115.95 117.74 1dxu h TRP 15 Ca 0.16 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.20 1dxu h TRP 15 Cb 0.41 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 1dxu h TRP 15 CO 0.03 0.13 0.05 0.78 -1.03 0.00 0.00 178.44 178.40 1dxu h GLY 16 N 0.36 0.00 -0.73 2.65 0.00 -1.31 -1.21 103.07 102.84 1dxu h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1dxu h GLY 16 CO 0.01 0.00 -0.19 0.28 0.00 0.00 0.00 176.54 176.64 1dxu n LYS 17 N -4.02 1.47 -2.94 4.80 5.02 -0.75 -4.93 118.16 116.82 1dxu n LYS 17 Ca -0.02 -1.06 -0.40 0.00 -2.02 0.00 0.00 58.31 54.81 1dxu n LYS 17 Cb 0.15 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1dxu n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dxu s VAL 18 N -2.26 4.83 -0.59 -0.18 1.01 -0.46 -4.98 120.40 117.77 1dxu s VAL 18 Ca 0.27 1.68 -0.22 0.00 0.00 0.00 0.00 61.98 63.71 1dxu s VAL 18 Cb 0.20 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1dxu s VAL 18 CO 0.44 0.30 0.85 0.21 0.00 0.00 0.00 175.10 176.90 1dxu s ASN 19 N 0.36 6.23 0.30 3.32 3.84 -1.26 -4.92 114.94 122.81 1dxu s ASN 19 Ca 0.41 -0.87 0.03 0.00 0.21 0.00 0.00 52.86 52.65 1dxu s ASN 19 Cb -0.20 -2.38 0.62 0.00 -0.55 0.00 0.00 41.25 38.74 1dxu s ASN 19 CO 0.23 -1.23 1.84 0.58 -2.79 0.00 0.00 177.10 175.74 1dxu h VAL 20 N 5.96 0.90 0.41 -5.21 2.07 -1.95 -1.51 116.25 116.91 1dxu h VAL 20 Ca -0.28 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1dxu h VAL 20 Cb 1.08 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1dxu h VAL 20 CO 1.10 0.17 -0.23 0.44 0.02 0.00 0.00 177.57 179.07 1dxu h ASP 21 N 0.92 -0.55 -0.29 0.57 3.32 -1.91 -0.97 116.42 117.51 1dxu h ASP 21 Ca 0.49 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.53 1dxu h ASP 21 Cb 0.54 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1dxu h ASP 21 CO -0.25 -0.37 0.04 -0.08 -1.72 0.00 0.00 179.24 176.85 1dxu h GLU 22 N -0.59 0.48 -0.41 3.56 4.81 -1.86 -2.62 114.58 117.95 1dxu h GLU 22 Ca -0.05 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1dxu h GLU 22 Cb 0.48 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1dxu h GLU 22 CO 0.06 0.60 -0.31 0.28 -0.73 0.00 0.00 179.01 178.91 1dxu h VAL 23 N 0.29 1.27 -0.16 0.32 2.07 -1.32 -2.54 116.25 116.18 1dxu h VAL 23 Ca 0.09 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1dxu h VAL 23 Cb 0.36 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1dxu h VAL 23 CO 0.01 0.50 0.02 1.23 0.02 0.00 0.00 177.57 179.35 1dxu h GLY 24 N 0.85 0.16 1.05 2.17 0.00 -1.16 0.92 103.07 107.07 1dxu h GLY 24 Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1dxu h GLY 24 CO 0.08 -0.01 0.30 -1.33 0.00 0.00 0.00 176.54 175.58 1dxu h GLY 25 N 0.08 1.28 0.80 4.60 0.00 -1.45 -1.30 103.07 107.08 1dxu h GLY 25 Ca 0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1dxu h GLY 25 CO -0.10 0.67 -0.01 0.83 0.00 0.00 0.00 176.54 177.92 1dxu h GLU 26 N 1.16 0.34 0.19 4.80 4.39 -1.03 -1.62 114.58 122.81 1dxu h GLU 26 Ca 0.26 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1dxu h GLU 26 Cb 0.24 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1dxu h GLU 26 CO -0.02 0.57 -0.09 0.00 -1.16 0.00 0.00 179.01 178.31 1dxu h ALA 27 N 0.76 -0.26 -0.52 3.43 0.00 -0.69 -0.31 119.26 121.67 1dxu h ALA 27 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1dxu h ALA 27 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1dxu h ALA 27 CO 0.01 -0.65 0.18 1.25 0.00 0.00 0.00 179.25 180.05 1dxu h LEU 28 N -0.26 0.74 -0.47 0.00 5.85 -1.28 -1.44 115.31 118.44 1dxu h LEU 28 Ca -0.03 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1dxu h LEU 28 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1dxu h LEU 28 CO 0.04 0.73 0.30 1.23 -0.34 0.00 0.00 178.44 180.40 1dxu h GLY 29 N 0.70 0.66 1.35 3.75 0.00 -1.14 -2.19 103.07 106.20 1dxu h GLY 29 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1dxu h GLY 29 CO -0.01 0.21 0.05 3.21 0.00 0.00 0.00 176.54 180.00 1dxu h ARG 30 N 0.60 0.81 -0.45 4.80 3.08 -0.91 -1.82 114.38 120.49 1dxu h ARG 30 Ca 0.18 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1dxu h ARG 30 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1dxu h ARG 30 CO -0.06 0.78 0.26 1.25 -1.07 0.00 0.00 179.97 181.13 1dxu h LEU 31 N 0.76 0.42 -1.44 3.04 5.85 -0.87 0.12 115.31 123.19 1dxu h LEU 31 Ca 0.16 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1dxu h LEU 31 Cb 0.39 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1dxu h LEU 31 CO 0.01 0.30 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.10 1dxu h LEU 32 N 0.52 0.00 0.00 2.25 4.07 -1.02 -0.74 115.31 120.39 1dxu h LEU 32 Ca 0.18 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.02 1dxu h LEU 32 Cb 0.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1dxu h LEU 32 CO -0.09 0.24 -0.69 0.58 -1.08 0.00 0.00 178.44 177.41 1dxu h VAL 33 N 0.00 1.27 -0.22 1.22 2.07 -0.83 -3.27 116.25 116.48 1dxu h VAL 33 Ca -0.00 -2.22 -0.17 0.00 0.82 0.00 0.00 66.70 65.13 1dxu h VAL 33 Cb 0.59 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1dxu h VAL 33 CO 0.03 0.43 -0.54 0.58 0.02 0.00 0.00 177.57 178.09 1dxu h VAL 34 N -1.00 1.31 -2.69 2.57 2.07 -0.79 -3.35 116.25 114.36 1dxu h VAL 34 Ca -0.19 -1.76 -0.61 0.00 0.82 0.00 0.00 66.70 64.96 1dxu h VAL 34 Cb 1.14 1.71 -0.41 0.00 -1.52 0.00 0.00 31.29 32.21 1dxu h VAL 34 CO -0.11 0.56 -0.72 -1.22 0.02 0.00 0.00 177.57 176.09 1dxu n TYR 35 N -3.98 1.90 0.29 1.57 4.01 -0.29 -4.99 117.16 115.68 1dxu n TYR 35 Ca -0.03 -3.96 0.17 0.00 -0.16 0.00 0.00 57.90 53.91 1dxu n TYR 35 Cb 0.61 -0.35 0.96 0.00 -0.31 0.00 0.00 39.34 40.24 1dxu n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dxu h PRO 36 N 5.20 0.00 0.00 -0.72 0.13 -1.71 -1.08 132.00 133.82 1dxu h PRO 36 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1dxu h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1dxu h PRO 36 CO 0.62 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.49 1dxu h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -0.12 115.95 115.56 1dxu h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1dxu h TRP 37 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.35 1dxu h TRP 37 CO 0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.79 1dxu n THR 38 N -3.54 0.99 0.35 0.12 -2.24 -0.41 -2.37 114.28 107.18 1dxu n THR 38 Ca -0.03 0.33 0.10 0.00 -2.27 0.00 0.00 64.05 62.18 1dxu n THR 38 Cb 0.09 -1.23 0.43 0.00 -2.10 0.00 0.00 70.33 67.52 1dxu n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dxu n GLN 39 N -2.00 0.13 0.33 -0.78 6.02 -0.06 -3.02 117.38 118.00 1dxu n GLN 39 Ca 0.02 0.42 0.21 0.00 -0.01 0.00 0.00 57.00 57.64 1dxu n GLN 39 Cb 0.17 -1.78 1.12 0.00 1.02 0.00 0.00 30.24 30.77 1dxu n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1dxu h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.68 -0.69 114.38 111.02 1dxu h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dxu h ARG 40 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1dxu h ARG 40 CO 0.00 0.00 -0.35 1.19 0.10 0.00 0.00 179.97 180.91 1dxu n PHE 41 N -3.10 0.00 -2.19 4.08 3.72 -1.17 -4.41 117.46 114.38 1dxu n PHE 41 Ca -0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 1dxu n PHE 41 Cb 0.14 -0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1dxu n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dxu n PHE 42 N -0.75 1.74 0.02 1.38 3.72 -0.27 -4.84 117.46 118.47 1dxu n PHE 42 Ca 0.10 -1.96 0.12 0.00 -0.05 0.00 0.00 57.45 55.66 1dxu n PHE 42 Cb 0.36 -0.28 0.56 0.00 -0.94 0.00 0.00 39.48 39.17 1dxu n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1dxu h GLU 43 N 2.01 0.25 -0.09 -1.08 4.39 -1.77 -1.63 114.58 116.67 1dxu h GLU 43 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1dxu h GLU 43 Cb 1.42 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1dxu h GLU 43 CO 0.45 0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.33 1dxu n SER 44 N -4.47 0.83 0.02 1.42 3.41 -1.26 -4.16 113.62 109.41 1dxu n SER 44 Ca 0.06 -1.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.19 1dxu n SER 44 Cb 0.31 -0.06 0.50 0.00 -0.26 0.00 0.00 64.21 64.71 1dxu n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dxu n PHE 45 N -0.22 0.17 0.00 7.33 3.01 -0.61 -5.04 117.46 122.10 1dxu n PHE 45 Ca 0.14 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1dxu n PHE 45 Cb 0.19 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1dxu n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxu n GLY 46 N 1.46 0.10 3.65 1.37 0.00 -1.26 -4.68 105.19 105.84 1dxu n GLY 46 Ca 0.06 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1dxu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dxu s ASP 47 N -4.00 6.86 -0.09 1.61 2.15 -1.26 -4.87 116.67 117.06 1dxu s ASP 47 Ca 0.00 1.39 0.13 0.00 0.43 0.00 0.00 52.55 54.49 1dxu s ASP 47 Cb 0.00 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.30 1dxu s ASP 47 CO 0.00 -0.89 1.11 0.18 -0.17 0.00 0.00 175.17 175.40 1dxu n LEU 48 N 7.00 1.61 0.06 -1.34 4.77 -1.26 -4.08 117.00 123.75 1dxu n LEU 48 Ca 0.14 -2.48 0.01 0.00 -0.03 0.00 0.00 56.01 53.65 1dxu n LEU 48 Cb 0.46 -0.29 0.36 0.00 -2.33 0.00 0.00 43.42 41.61 1dxu n LEU 48 CO 0.59 0.62 0.93 0.77 -1.33 0.00 0.00 177.39 178.97 1dxu h SER 49 N 0.12 0.36 -5.23 -1.43 4.64 -1.93 -3.44 113.55 106.63 1dxu h SER 49 Ca -0.01 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1dxu h SER 49 Cb 1.16 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 1dxu h SER 49 CO 0.00 0.45 -0.54 0.42 -0.87 0.00 0.00 176.83 176.30 1dxu s THR 50 N -4.90 0.17 0.27 2.95 -4.23 -1.26 -5.04 115.64 103.60 1dxu s THR 50 Ca -0.07 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1dxu s THR 50 Cb 0.16 -1.53 0.26 0.00 1.34 0.00 0.00 72.50 72.74 1dxu s THR 50 CO 0.75 -0.77 1.82 -0.65 -0.54 0.00 0.00 174.62 175.22 1dxu h PRO 51 N 2.94 0.87 -0.59 3.99 0.11 -1.98 -0.09 132.00 137.24 1dxu h PRO 51 Ca -0.34 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1dxu h PRO 51 Cb 1.17 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1dxu h PRO 51 CO 0.61 0.57 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.52 1dxu h ASP 52 N 0.89 1.02 -0.08 -2.05 3.32 -1.98 -0.00 116.42 117.53 1dxu h ASP 52 Ca 0.48 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1dxu h ASP 52 Cb 0.51 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1dxu h ASP 52 CO -0.28 1.07 0.04 0.00 -1.72 0.00 0.00 179.24 178.35 1dxu h ALA 53 N 1.03 0.11 0.19 3.45 0.00 -1.61 -1.28 119.26 121.15 1dxu h ALA 53 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dxu h ALA 53 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dxu h ALA 53 CO 0.03 -0.31 -0.11 0.28 0.00 0.00 0.00 179.25 179.14 1dxu h VAL 54 N -0.01 0.76 -0.60 0.00 2.07 -0.84 -1.67 116.25 115.96 1dxu h VAL 54 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1dxu h VAL 54 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1dxu h VAL 54 CO -0.00 0.00 0.21 0.24 0.02 0.00 0.00 177.57 178.04 1dxu h MET 55 N -0.29 0.88 -0.01 1.57 2.07 -0.98 -2.70 114.93 115.47 1dxu h MET 55 Ca -0.02 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.46 1dxu h MET 55 Cb 0.24 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 1dxu h MET 55 CO 0.02 0.74 -0.10 0.41 1.07 0.00 0.00 176.91 179.06 1dxu n GLY 56 N -0.98 -0.47 3.67 8.32 0.00 -0.49 -4.86 105.19 110.38 1dxu n GLY 56 Ca 0.05 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1dxu n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxu s ASN 57 N -2.24 6.76 0.37 1.61 3.84 -0.64 -4.88 114.94 119.76 1dxu s ASN 57 Ca 0.33 2.15 0.09 0.00 0.21 0.00 0.00 52.86 55.64 1dxu s ASN 57 Cb 0.20 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 39.07 1dxu s ASN 57 CO 0.42 -0.83 1.86 1.55 -2.79 0.00 0.00 177.10 177.31 1dxu h PRO 58 N 8.60 0.20 -0.19 0.43 0.13 -1.90 -1.66 132.00 137.60 1dxu h PRO 58 Ca -0.37 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1dxu h PRO 58 Cb 1.17 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1dxu h PRO 58 CO 0.94 0.42 -0.44 0.87 -0.23 0.00 0.00 178.00 179.55 1dxu h LYS 59 N 0.18 0.47 -0.26 0.86 1.57 -1.90 0.92 116.57 118.42 1dxu h LYS 59 Ca 0.03 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1dxu h LYS 59 Cb 0.51 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1dxu h LYS 59 CO 0.03 0.82 0.03 0.28 -0.57 0.00 0.00 179.45 180.04 1dxu h VAL 60 N 0.38 1.24 -0.67 0.50 2.07 -1.77 -0.39 116.25 117.61 1dxu h VAL 60 Ca 0.03 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1dxu h VAL 60 Cb 0.93 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1dxu h VAL 60 CO 0.08 0.26 0.32 0.11 0.02 0.00 0.00 177.57 178.37 1dxu h LYS 61 N 0.24 0.96 -0.10 1.57 1.57 -1.16 0.14 116.57 119.78 1dxu h LYS 61 Ca 0.08 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dxu h LYS 61 Cb 0.36 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1dxu h LYS 61 CO 0.01 0.76 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 1dxu h ALA 62 N 1.15 0.13 -0.27 3.86 0.00 -0.63 -1.99 119.26 121.51 1dxu h ALA 62 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dxu h ALA 62 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dxu h ALA 62 CO -0.03 -0.32 0.09 1.25 0.00 0.00 0.00 179.25 180.24 1dxu h HIS 63 N 0.06 0.43 -0.83 0.00 -0.00 -0.90 -2.50 115.15 111.41 1dxu h HIS 63 Ca 0.04 -0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.53 1dxu h HIS 63 Cb 0.10 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 27.28 1dxu h HIS 63 CO -0.04 0.46 0.38 0.78 -0.00 0.00 0.00 177.93 179.51 1dxu h GLY 64 N 0.28 1.34 1.03 5.26 0.00 -0.63 0.25 103.07 110.60 1dxu h GLY 64 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1dxu h GLY 64 CO -0.00 -0.12 0.22 1.70 0.00 0.00 0.00 176.54 178.34 1dxu h LYS 65 N 0.50 1.06 -0.16 4.80 3.64 -1.08 -1.50 116.57 123.83 1dxu h LYS 65 Ca 0.47 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1dxu h LYS 65 Cb 0.76 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1dxu h LYS 65 CO -0.42 0.91 0.07 -0.22 -2.27 0.00 0.00 179.45 177.52 1dxu h LYS 66 N 1.00 0.23 0.03 1.90 3.64 -0.76 -1.27 116.57 121.35 1dxu h LYS 66 Ca 0.22 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1dxu h LYS 66 Cb 0.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1dxu h LYS 66 CO -0.01 0.29 -0.01 0.28 -2.27 0.00 0.00 179.45 177.73 1dxu h VAL 67 N 0.12 1.08 0.00 2.00 2.07 -0.88 -2.27 116.25 118.36 1dxu h VAL 67 Ca 0.05 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1dxu h VAL 67 Cb 0.14 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1dxu h VAL 67 CO -0.01 0.08 -0.38 -0.07 0.02 0.00 0.00 177.57 177.21 1dxu h LEU 68 N -0.18 0.00 -0.41 2.57 -0.00 -1.26 -0.37 115.31 115.66 1dxu h LEU 68 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1dxu h LEU 68 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1dxu h LEU 68 CO 0.01 0.38 0.16 1.23 -0.00 0.00 0.00 178.44 180.21 1dxu h GLY 69 N 1.43 0.67 1.18 0.83 0.00 -1.13 0.61 103.07 106.65 1dxu h GLY 69 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1dxu h GLY 69 CO 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 176.54 176.89 1dxu h ALA 70 N 1.00 0.88 -0.41 3.60 0.00 -0.90 -2.07 119.26 121.35 1dxu h ALA 70 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1dxu h ALA 70 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1dxu h ALA 70 CO -0.01 0.65 0.24 0.35 0.00 0.00 0.00 179.25 180.48 1dxu h PHE 71 N 0.89 0.44 -0.83 0.00 3.04 -0.70 -2.49 116.94 117.29 1dxu h PHE 71 Ca 0.15 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.16 1dxu h PHE 71 Cb 0.58 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.90 1dxu h PHE 71 CO 0.04 0.25 0.52 0.77 -2.02 0.00 0.00 178.31 177.87 1dxu h SER 72 N 0.48 0.84 -0.90 0.41 0.02 0.86 -1.68 113.55 113.58 1dxu h SER 72 Ca 0.17 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1dxu h SER 72 Cb 0.02 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 1dxu h SER 72 CO -0.08 0.56 0.56 0.44 -1.14 0.00 0.00 176.83 177.17 1dxu h ASP 73 N 0.98 0.87 0.12 3.07 3.32 -0.97 -1.04 116.42 122.77 1dxu h ASP 73 Ca 0.35 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 1dxu h ASP 73 Cb 0.09 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1dxu h ASP 73 CO -0.14 0.53 -0.18 1.23 -1.72 0.00 0.00 179.24 178.96 1dxu h GLY 74 N 0.99 0.13 2.00 2.75 0.00 -0.92 -1.34 103.07 106.68 1dxu h GLY 74 Ca 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1dxu h GLY 74 CO -0.20 0.07 -0.07 1.41 0.00 0.00 0.00 176.54 177.76 1dxu h LEU 75 N 0.11 0.00 0.00 3.11 4.07 -0.86 0.95 115.31 122.69 1dxu h LEU 75 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1dxu h LEU 75 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1dxu h LEU 75 CO 0.03 0.07 -0.11 0.00 -1.08 0.00 0.00 178.44 177.35 1dxu n ALA 76 N -2.29 2.49 -2.57 1.53 0.00 -0.51 -3.99 120.51 115.17 1dxu n ALA 76 Ca -0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1dxu n ALA 76 Cb 0.17 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.24 1dxu n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxu n HIS 77 N -1.80 1.88 0.17 0.00 8.25 0.30 -4.90 115.22 119.11 1dxu n HIS 77 Ca 0.06 -2.56 0.19 0.00 -0.26 0.00 0.00 57.72 55.14 1dxu n HIS 77 Cb 0.38 -0.27 0.80 0.00 1.12 0.00 0.00 29.99 32.01 1dxu n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dxu h LEU 78 N 2.67 0.00 -0.65 2.41 4.07 -1.63 -0.28 115.31 121.90 1dxu h LEU 78 Ca 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 1dxu h LEU 78 Cb 1.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 1dxu h LEU 78 CO 0.51 0.00 -0.36 0.44 -1.08 0.00 0.00 178.44 177.95 1dxu h ASP 79 N 0.00 0.00 -1.74 -0.43 3.32 -1.89 0.39 116.42 116.07 1dxu h ASP 79 Ca 0.13 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.68 1dxu h ASP 79 Cb 0.77 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.96 1dxu h ASP 79 CO -0.00 0.36 -1.05 -3.20 -1.72 0.00 0.00 179.24 173.62 1dxu n ASN 80 N -3.37 -0.02 -0.03 6.45 5.15 -0.12 -2.80 115.26 120.52 1dxu n ASN 80 Ca 0.01 -2.88 -0.11 0.00 -0.60 0.00 0.00 54.58 51.00 1dxu n ASN 80 Cb 0.56 -0.31 -0.04 0.00 -0.53 0.00 0.00 39.78 39.46 1dxu n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dxu h LEU 81 N 3.67 0.19 -0.41 1.20 3.38 -1.72 -1.31 115.31 120.31 1dxu h LEU 81 Ca 0.05 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1dxu h LEU 81 Cb 0.93 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1dxu h LEU 81 CO 0.45 0.18 0.01 0.11 0.09 0.00 0.00 178.44 179.28 1dxu h LYS 82 N 0.19 0.12 -0.59 1.13 1.57 -1.91 -0.83 116.57 116.25 1dxu h LYS 82 Ca 0.06 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1dxu h LYS 82 Cb 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1dxu h LYS 82 CO -0.01 0.08 0.20 0.78 -0.57 0.00 0.00 179.45 179.93 1dxu h GLY 83 N 0.12 0.98 0.77 3.86 0.00 -1.91 -2.11 103.07 104.78 1dxu h GLY 83 Ca 0.20 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.00 1dxu h GLY 83 CO -0.32 0.54 0.34 -0.84 0.00 0.00 0.00 176.54 176.25 1dxu h THR 84 N 0.84 1.01 -0.58 4.70 2.02 -0.50 -3.11 112.91 117.29 1dxu h THR 84 Ca 0.19 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1dxu h THR 84 Cb 0.27 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1dxu h THR 84 CO -0.01 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1dxu n PHE 85 N -4.79 0.76 -0.15 3.16 3.72 -0.39 -4.64 117.46 115.13 1dxu n PHE 85 Ca 0.06 -0.38 -0.03 0.00 -0.05 0.00 0.00 57.45 57.05 1dxu n PHE 85 Cb 0.12 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1dxu n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dxu h ALA 86 N 4.35 0.45 0.01 4.37 0.00 -1.31 0.39 119.26 127.53 1dxu h ALA 86 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dxu h ALA 86 Cb 0.94 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1dxu h ALA 86 CO 0.00 -0.39 -0.01 1.15 0.00 0.00 0.00 179.25 180.01 1dxu h THR 87 N 0.11 1.10 0.00 0.00 2.02 -1.83 -1.86 112.91 112.45 1dxu h THR 87 Ca 0.24 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1dxu h THR 87 Cb 0.36 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1dxu h THR 87 CO -0.40 0.09 -0.28 -0.07 0.37 0.00 0.00 175.52 175.23 1dxu h LEU 88 N -0.16 0.00 0.13 2.58 3.38 -1.78 -1.46 115.31 117.99 1dxu h LEU 88 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dxu h LEU 88 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1dxu h LEU 88 CO 0.00 0.28 -0.06 -1.28 0.09 0.00 0.00 178.44 177.47 1dxu h SER 89 N 0.00 -0.14 -0.82 -0.43 0.87 0.13 -0.49 113.55 112.68 1dxu h SER 89 Ca -0.00 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1dxu h SER 89 Cb 0.50 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 1dxu h SER 89 CO 0.04 -0.01 0.53 -0.33 -0.53 0.00 0.00 176.83 176.53 1dxu h GLU 90 N -0.27 1.01 -0.26 2.24 5.08 -1.12 -1.66 114.58 119.60 1dxu h GLU 90 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dxu h GLU 90 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1dxu h GLU 90 CO 0.03 0.67 0.15 1.25 -1.00 0.00 0.00 179.01 180.10 1dxu h LEU 91 N 1.04 0.31 -1.55 1.33 5.85 -1.11 0.11 115.31 121.29 1dxu h LEU 91 Ca 0.32 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1dxu h LEU 91 Cb -0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1dxu h LEU 91 CO -0.10 0.29 -0.23 0.45 -0.34 0.00 0.00 178.44 178.51 1dxu h HIS 92 N 0.31 0.00 0.00 1.25 3.86 -0.81 -1.00 115.15 118.76 1dxu h HIS 92 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1dxu h HIS 92 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1dxu h HIS 92 CO -0.04 0.23 -0.01 0.00 0.86 0.00 0.00 177.93 178.98 1dxu h ASP 94 N -0.43 0.75 0.01 0.00 3.32 -0.85 -2.92 116.42 116.29 1dxu h ASP 94 Ca 0.00 -0.35 -0.39 0.00 0.02 0.00 0.00 57.03 56.31 1dxu h ASP 94 Cb 0.01 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 1dxu h ASP 94 CO 0.00 0.92 -2.44 0.29 -1.72 0.00 0.00 179.24 176.29 1dxu n LYS 95 N -4.37 0.66 0.07 3.56 4.76 -0.49 -4.67 118.16 117.67 1dxu n LYS 95 Ca -0.01 0.16 0.07 0.00 -2.87 0.00 0.00 58.31 55.66 1dxu n LYS 95 Cb 0.34 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 1dxu n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dxu n LEU 96 N -3.28 0.78 -3.64 -0.35 4.77 -0.55 -4.99 117.00 109.75 1dxu n LEU 96 Ca -0.45 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.62 1dxu n LEU 96 Cb 0.99 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.14 1dxu n LEU 96 CO 0.27 -0.05 0.09 1.41 -1.33 0.00 0.00 177.39 177.79 1dxu n HIS 97 N -2.72 -2.30 -3.28 -1.77 8.25 -0.42 -4.96 115.22 108.01 1dxu n HIS 97 Ca -0.04 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 1dxu n HIS 97 Cb 0.66 -4.67 -0.08 0.00 1.12 0.00 0.00 29.99 27.03 1dxu n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dxu s VAL 98 N -3.43 5.11 0.11 1.59 1.01 -0.43 -5.03 120.40 119.33 1dxu s VAL 98 Ca 0.27 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.75 1dxu s VAL 98 Cb -0.13 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1dxu s VAL 98 CO 0.77 0.13 1.86 -0.67 0.00 0.00 0.00 175.10 177.20 1dxu n ASP 99 N 5.28 4.05 0.19 3.32 -0.08 -1.26 -4.77 116.55 123.29 1dxu n ASP 99 Ca -0.05 0.97 0.13 0.00 -1.51 0.00 0.00 54.79 54.33 1dxu n ASP 99 Cb 0.50 -1.54 0.70 0.00 2.34 0.00 0.00 41.12 43.12 1dxu n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxu h PRO 100 N 8.89 0.00 -0.13 -0.67 0.11 -1.97 -1.45 132.00 136.78 1dxu h PRO 100 Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1dxu h PRO 100 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1dxu h PRO 100 CO 0.95 0.00 0.09 1.49 -0.21 0.00 0.00 178.00 180.32 1dxu h GLU 101 N 0.00 0.06 -0.57 1.05 4.57 -1.98 -0.43 114.58 117.28 1dxu h GLU 101 Ca 0.00 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1dxu h GLU 101 Cb 0.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1dxu h GLU 101 CO 0.00 0.04 0.38 -0.91 -1.18 0.00 0.00 179.01 177.34 1dxu h ASN 102 N 0.06 0.54 -0.75 1.04 4.21 -1.63 -1.91 115.58 117.14 1dxu h ASN 102 Ca 0.06 -0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 1dxu h ASN 102 Cb 0.16 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1dxu h ASN 102 CO -0.01 0.36 0.25 -0.26 -1.29 0.00 0.00 177.43 176.48 1dxu h PHE 103 N 0.62 1.20 -0.30 1.19 0.04 -1.26 -0.91 116.94 117.52 1dxu h PHE 103 Ca 0.24 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1dxu h PHE 103 Cb 0.16 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1dxu h PHE 103 CO -0.00 0.94 0.07 0.00 -0.60 0.00 0.00 178.31 178.71 1dxu h ARG 104 N 1.12 0.48 -0.29 1.51 3.08 -1.41 -1.37 114.38 117.51 1dxu h ARG 104 Ca 0.24 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1dxu h ARG 104 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1dxu h ARG 104 CO -0.01 0.56 0.14 -0.07 -1.07 0.00 0.00 179.97 179.52 1dxu h LEU 105 N 0.32 0.38 -0.97 3.04 3.38 -1.14 -2.21 115.31 118.10 1dxu h LEU 105 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dxu h LEU 105 Cb 0.30 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1dxu h LEU 105 CO 0.00 0.40 0.64 0.25 0.09 0.00 0.00 178.44 179.83 1dxu h LEU 106 N 0.33 1.08 -0.49 1.67 5.85 -1.06 -1.11 115.31 121.59 1dxu h LEU 106 Ca 0.10 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1dxu h LEU 106 Cb 0.13 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1dxu h LEU 106 CO -0.01 0.76 0.21 1.23 -0.34 0.00 0.00 178.44 180.29 1dxu h GLY 107 N 1.27 0.67 0.92 3.75 0.00 -0.94 0.16 103.07 108.90 1dxu h GLY 107 Ca 0.37 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1dxu h GLY 107 CO -0.10 0.06 -0.07 3.43 0.00 0.00 0.00 176.54 179.85 1dxu h ASN 108 N 0.42 0.65 -0.74 0.19 2.35 -0.80 -2.21 115.58 115.43 1dxu h ASN 108 Ca 0.23 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1dxu h ASN 108 Cb 0.19 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1dxu h ASN 108 CO -0.20 0.85 0.35 0.58 -1.65 0.00 0.00 177.43 177.36 1dxu h VAL 109 N 0.43 1.24 -0.67 2.81 2.07 -0.93 -1.96 116.25 119.24 1dxu h VAL 109 Ca 0.09 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1dxu h VAL 109 Cb 0.56 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1dxu h VAL 109 CO 0.03 0.29 0.41 0.25 0.02 0.00 0.00 177.57 178.57 1dxu h LEU 110 N 1.05 0.67 -0.81 2.57 5.85 -0.45 -0.59 115.31 123.60 1dxu h LEU 110 Ca 0.25 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1dxu h LEU 110 Cb 0.13 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1dxu h LEU 110 CO -0.03 0.46 0.52 0.58 -0.34 0.00 0.00 178.44 179.63 1dxu h VAL 111 N 0.80 1.15 -0.61 1.05 2.07 -0.98 -0.70 116.25 119.03 1dxu h VAL 111 Ca 0.27 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1dxu h VAL 111 Cb 0.03 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1dxu h VAL 111 CO -0.11 0.19 0.40 0.00 0.02 0.00 0.00 177.57 178.06 1dxu h VAL 113 N 0.83 1.17 -0.34 0.00 2.07 -0.33 -0.56 116.25 119.10 1dxu h VAL 113 Ca 0.22 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1dxu h VAL 113 Cb -0.08 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1dxu h VAL 113 CO -0.05 0.18 0.21 -0.07 0.02 0.00 0.00 177.57 177.87 1dxu h LEU 114 N 0.47 0.40 -0.73 2.57 3.38 -0.99 0.21 115.31 120.61 1dxu h LEU 114 Ca 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1dxu h LEU 114 Cb 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1dxu h LEU 114 CO -0.02 0.32 0.37 0.00 0.09 0.00 0.00 178.44 179.20 1dxu h ALA 115 N 1.10 0.95 -0.33 1.53 0.00 -1.04 0.71 119.26 122.17 1dxu h ALA 115 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dxu h ALA 115 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dxu h ALA 115 CO -0.02 0.50 0.18 1.25 0.00 0.00 0.00 179.25 181.15 1dxu h HIS 116 N 1.03 0.46 -0.12 0.00 -0.00 -0.62 -0.31 115.15 115.59 1dxu h HIS 116 Ca 0.25 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.53 1dxu h HIS 116 Cb 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1dxu h HIS 116 CO 0.01 0.37 -0.25 1.25 -0.00 0.00 0.00 177.93 179.31 1dxu h HIS 117 N 0.41 0.47 0.00 5.26 6.17 -0.34 -3.35 115.15 123.77 1dxu h HIS 117 Ca 0.12 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.02 1dxu h HIS 117 Cb 0.07 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.91 1dxu h HIS 117 CO -0.03 0.86 -0.86 1.19 0.71 0.00 0.00 177.93 179.81 1dxu n PHE 118 N -4.47 0.30 -2.11 5.26 3.72 0.22 -5.04 117.46 115.34 1dxu n PHE 118 Ca -0.07 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1dxu n PHE 118 Cb 0.44 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1dxu n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxu n GLY 119 N 1.38 3.18 0.34 1.37 0.00 -0.13 -2.67 105.19 108.66 1dxu n GLY 119 Ca 0.03 -0.21 0.18 0.00 0.00 0.00 0.00 46.02 46.01 1dxu n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dxu h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.16 116.57 118.48 1dxu h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1dxu h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dxu h LYS 120 CO 0.00 0.00 -0.16 0.93 -2.00 0.00 0.00 179.45 178.22 1dxu h GLU 121 N 0.00 0.00 -3.69 0.07 5.08 -1.91 -3.31 114.58 110.82 1dxu h GLU 121 Ca 0.06 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.68 1dxu h GLU 121 Cb 0.52 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 1dxu h GLU 121 CO -0.00 0.16 2.34 0.34 -1.00 0.00 0.00 179.01 180.84 1dxu n PHE 122 N -3.46 3.17 -1.41 4.33 7.35 0.04 -4.93 117.46 122.55 1dxu n PHE 122 Ca -0.01 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 1dxu n PHE 122 Cb 0.32 -2.13 0.10 0.00 0.35 0.00 0.00 39.48 38.12 1dxu n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxu s THR 123 N 1.25 3.06 0.20 -2.13 -4.23 -1.25 -4.69 115.64 107.86 1dxu s THR 123 Ca 0.42 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 61.10 1dxu s THR 123 Cb 0.11 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 71.15 1dxu s THR 123 CO -0.02 -0.45 1.60 -0.65 -0.54 0.00 0.00 174.62 174.56 1dxu h PRO 124 N -1.20 -0.09 -0.39 3.99 0.11 -1.93 0.24 132.00 132.73 1dxu h PRO 124 Ca -0.47 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1dxu h PRO 124 Cb 1.26 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1dxu h PRO 124 CO 0.57 -0.06 0.09 -1.35 -0.21 0.00 0.00 178.00 177.03 1dxu h PRO 125 N -0.10 0.57 -0.26 1.05 0.11 -1.99 -1.06 132.00 130.32 1dxu h PRO 125 Ca 0.27 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1dxu h PRO 125 Cb 0.53 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1dxu h PRO 125 CO -0.68 0.53 -0.07 0.28 -0.21 0.00 0.00 178.00 177.84 1dxu h VAL 126 N 0.56 1.29 -0.37 3.15 2.07 -1.40 -2.32 116.25 119.22 1dxu h VAL 126 Ca 0.13 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1dxu h VAL 126 Cb 0.23 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1dxu h VAL 126 CO -0.00 0.34 0.09 -0.61 0.02 0.00 0.00 177.57 177.42 1dxu h GLN 127 N 0.25 0.22 -0.98 1.57 4.15 -0.14 -1.55 115.11 118.63 1dxu h GLN 127 Ca 0.06 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1dxu h GLN 127 Cb 0.55 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 1dxu h GLN 127 CO 0.03 0.15 0.62 0.00 -1.93 0.00 0.00 178.83 177.69 1dxu h ALA 128 N 1.26 1.44 -0.44 3.38 0.00 -1.09 0.35 119.26 124.17 1dxu h ALA 128 Ca 0.17 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1dxu h ALA 128 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dxu h ALA 128 CO -0.21 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.08 1dxu h ALA 129 N 1.51 0.62 -0.25 0.00 0.00 -0.85 -2.41 119.26 117.88 1dxu h ALA 129 Ca 0.47 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1dxu h ALA 129 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dxu h ALA 129 CO -0.24 0.61 -0.23 1.88 0.00 0.00 0.00 179.25 181.27 1dxu h TYR 130 N 0.76 0.51 -0.75 0.00 0.05 -0.30 -2.43 116.97 114.82 1dxu h TYR 130 Ca 0.09 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1dxu h TYR 130 Cb 0.81 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 1dxu h TYR 130 CO 0.06 0.66 0.27 1.96 -1.05 0.00 0.00 178.16 180.06 1dxu h GLN 131 N 0.41 1.14 -0.35 4.88 1.08 -0.10 -1.05 115.11 121.12 1dxu h GLN 131 Ca 0.06 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1dxu h GLN 131 Cb 0.63 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1dxu h GLN 131 CO 0.04 0.94 0.20 0.87 -0.95 0.00 0.00 178.83 179.93 1dxu h LYS 132 N 1.10 0.49 0.10 1.46 1.57 -1.06 -2.49 116.57 117.75 1dxu h LYS 132 Ca 0.25 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1dxu h LYS 132 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1dxu h LYS 132 CO -0.02 0.40 -0.05 0.28 -0.57 0.00 0.00 179.45 179.49 1dxu h VAL 133 N 0.45 0.96 -0.80 0.50 2.07 -1.11 -0.69 116.25 117.63 1dxu h VAL 133 Ca 0.12 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1dxu h VAL 133 Cb 0.05 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1dxu h VAL 133 CO -0.02 0.06 0.49 1.62 0.02 0.00 0.00 177.57 179.74 1dxu h VAL 134 N -0.25 1.07 -0.56 2.57 3.04 -1.21 0.25 116.25 121.16 1dxu h VAL 134 Ca -0.01 -0.32 -0.08 0.00 -1.01 0.00 0.00 66.70 65.27 1dxu h VAL 134 Cb 0.20 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.51 1dxu h VAL 134 CO 0.02 0.17 0.03 0.00 -1.01 0.00 0.00 177.57 176.79 1dxu h ALA 135 N 1.36 0.76 -0.11 3.17 0.00 -1.36 -0.64 119.26 122.44 1dxu h ALA 135 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dxu h ALA 135 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dxu h ALA 135 CO -0.15 0.56 0.07 0.78 0.00 0.00 0.00 179.25 180.51 1dxu h GLY 136 N 0.86 0.15 0.91 0.00 0.00 -0.21 0.03 103.07 104.81 1dxu h GLY 136 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1dxu h GLY 136 CO 0.02 0.06 0.00 -2.08 0.00 0.00 0.00 176.54 174.54 1dxu h VAL 137 N 0.14 1.08 -0.89 4.60 2.07 -0.38 0.41 116.25 123.28 1dxu h VAL 137 Ca 0.04 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1dxu h VAL 137 Cb -0.01 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1dxu h VAL 137 CO -0.01 0.06 0.57 0.00 0.02 0.00 0.00 177.57 178.21 1dxu h ALA 138 N 0.91 1.22 -0.56 1.67 0.00 -0.98 -0.85 119.26 120.67 1dxu h ALA 138 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1dxu h ALA 138 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1dxu h ALA 138 CO -0.00 0.36 -0.02 -0.91 0.00 0.00 0.00 179.25 178.68 1dxu h ASN 139 N 1.06 0.95 -0.74 0.00 2.35 -0.64 -2.23 115.58 116.33 1dxu h ASN 139 Ca 0.38 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1dxu h ASN 139 Cb 0.12 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1dxu h ASN 139 CO -0.16 1.02 0.35 0.00 -1.65 0.00 0.00 177.43 176.99 1dxu h ALA 140 N 1.08 0.96 0.00 -0.83 0.00 -0.09 -2.28 119.26 118.09 1dxu h ALA 140 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1dxu h ALA 140 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1dxu h ALA 140 CO 0.03 0.53 -0.38 -0.07 0.00 0.00 0.00 179.25 179.35 1dxu h LEU 141 N 1.04 0.00 -0.08 0.00 3.38 -0.97 -3.06 115.31 115.63 1dxu h LEU 141 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1dxu h LEU 141 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dxu h LEU 141 CO -0.03 0.38 -0.47 0.00 0.09 0.00 0.00 178.44 178.42 1dxu n ALA 142 N -2.29 3.49 -0.36 1.53 0.00 -0.86 -4.44 120.51 117.59 1dxu n ALA 142 Ca -0.00 -0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1dxu n ALA 142 Cb 0.53 -1.12 0.22 0.00 0.00 0.00 0.00 19.45 19.08 1dxu n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dxu h HIS 143 N 0.18 1.15 -0.46 0.00 6.17 -1.30 -2.57 115.15 118.33 1dxu h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1dxu h HIS 143 Cb 0.50 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.06 1dxu h HIS 143 CO 0.00 0.51 0.00 1.63 0.71 0.00 0.00 177.93 180.78 1dxu n LYS 144 N -4.56 2.17 -2.29 5.26 4.76 -1.26 -4.94 118.16 117.30 1dxu n LYS 144 Ca 0.17 -1.69 -0.38 0.00 -2.87 0.00 0.00 58.31 53.54 1dxu n LYS 144 Cb 0.29 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1dxu n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dxu s TYR 145 N -1.43 3.06 0.00 2.13 1.51 -0.97 -4.75 117.35 116.89 1dxu s TYR 145 Ca 0.31 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 1dxu s TYR 145 Cb 0.17 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1dxu s TYR 145 CO 0.20 -1.34 0.00 -2.39 -1.11 0.00 0.00 175.55 170.91