#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xw9 s VAL 2 N 0.00 1.29 0.19 1.12 1.01 -1.26 -4.33 120.40 118.41 1xw9 s VAL 2 Ca 0.00 -2.93 -0.30 0.00 0.00 0.00 0.00 61.98 58.75 1xw9 s VAL 2 Cb 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 1xw9 s VAL 2 CO 0.00 -1.05 1.26 -0.47 0.00 0.00 0.00 175.10 174.85 1xw9 s TYR 3 N -0.12 3.32 -0.14 5.22 6.14 -1.18 -4.77 117.35 125.83 1xw9 s TYR 3 Ca 0.25 1.30 0.20 0.00 0.64 0.00 0.00 57.07 59.45 1xw9 s TYR 3 Cb -0.10 -3.53 0.39 0.00 0.42 0.00 0.00 41.96 39.14 1xw9 s TYR 3 CO -0.11 -1.61 1.60 0.37 0.64 0.00 0.00 175.55 176.44 1xw9 h GLN 4 N 5.37 0.00 -4.31 4.97 4.15 -1.91 0.71 115.11 124.10 1xw9 h GLN 4 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1xw9 h GLN 4 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1xw9 h GLN 4 CO 0.76 0.30 -0.89 0.28 -1.93 0.00 0.00 178.83 177.36 1xw9 n VAL 5 N -3.24-12.55 -4.36 2.39 0.31 -1.25 -4.07 118.33 95.57 1xw9 n VAL 5 Ca 0.02 3.00 -0.35 0.00 -0.01 0.00 0.00 64.34 67.00 1xw9 n VAL 5 Cb 0.60 -5.61 -0.09 0.00 -0.91 0.00 0.00 33.84 27.82 1xw9 n VAL 5 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1xw9 s LYS 6 N -0.79 3.01 0.13 5.55 -2.85 -1.26 -4.76 119.74 118.77 1xw9 s LYS 6 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 1xw9 s LYS 6 Cb 0.00 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 1xw9 s LYS 6 CO 0.00 0.70 0.00 -0.40 0.10 0.00 0.00 175.35 175.75 1xw9 n ASP 7 N 2.16 -2.04 -0.20 0.03 5.75 -1.26 -3.41 116.55 117.58 1xw9 n ASP 7 Ca -0.19 0.28 -0.06 0.00 -0.01 0.00 0.00 54.79 54.82 1xw9 n ASP 7 Cb 0.54 -2.30 0.10 0.00 -1.03 0.00 0.00 41.12 38.42 1xw9 n ASP 7 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1xw9 h LYS 8 N -1.10 1.00 -0.82 0.11 1.57 -1.98 -2.79 116.57 112.56 1xw9 h LYS 8 Ca -0.03 -0.25 0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1xw9 h LYS 8 Cb 0.85 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 1xw9 h LYS 8 CO 0.01 0.92 0.43 0.00 -0.57 0.00 0.00 179.45 180.25 1xw9 h ALA 9 N 1.16 1.19 -0.25 3.86 0.00 -1.86 0.13 119.26 123.49 1xw9 h ALA 9 Ca 0.19 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1xw9 h ALA 9 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xw9 h ALA 9 CO 0.01 -0.02 -0.18 0.22 0.00 0.00 0.00 179.25 179.28 1xw9 h ASP 10 N 0.67 0.59 0.10 0.00 3.58 -1.52 -3.16 116.42 116.68 1xw9 h ASP 10 Ca 0.42 -0.44 0.01 0.00 0.42 0.00 0.00 57.03 57.43 1xw9 h ASP 10 Cb 0.51 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1xw9 h ASP 10 CO -0.31 0.91 -0.13 0.25 -2.88 0.00 0.00 179.24 177.08 1xw9 h LEU 11 N 0.27 -0.35 -9.80 2.28 5.85 -1.07 -2.04 115.31 110.45 1xw9 h LEU 11 Ca 0.05 0.04 -0.53 0.00 0.84 0.00 0.00 57.88 58.28 1xw9 h LEU 11 Cb 0.71 0.13 0.07 0.00 0.37 0.00 0.00 40.66 41.94 1xw9 h LEU 11 CO 0.05 -0.19 0.76 -0.62 -0.34 0.00 0.00 178.44 178.10 1xw9 s ASP 12 N -4.96 6.59 0.00 1.25 -1.08 0.36 -1.36 116.67 117.47 1xw9 s ASP 12 Ca -0.15 2.76 0.00 0.00 -0.52 0.00 0.00 52.55 54.64 1xw9 s ASP 12 Cb 0.07 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1xw9 s ASP 12 CO 0.66 -0.73 0.00 0.61 0.52 0.00 0.00 175.17 176.23 1xw9 n GLY 13 N 1.78 2.72 0.33 2.66 0.00 -1.26 -4.60 105.19 106.82 1xw9 n GLY 13 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.45 1xw9 n GLY 13 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xw9 h GLN 14 N 0.00 0.73 -0.06 1.61 5.75 -0.51 1.85 115.11 124.48 1xw9 h GLN 14 Ca 0.00 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.31 1xw9 h GLN 14 Cb 0.00 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1xw9 h GLN 14 CO 0.00 0.48 -0.63 -0.07 -2.65 0.00 0.00 178.83 175.97 1xw9 h LEU 15 N 0.75 0.25 -0.06 -2.39 3.38 -1.47 -2.24 115.31 113.54 1xw9 h LEU 15 Ca 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1xw9 h LEU 15 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xw9 h LEU 15 CO -0.05 0.81 -0.12 0.74 0.09 0.00 0.00 178.44 179.91 1xw9 h THR 16 N 0.16 1.42 -0.86 0.22 2.02 -0.44 -3.10 112.91 112.32 1xw9 h THR 16 Ca -0.01 -1.43 0.09 0.00 0.77 0.00 0.00 66.41 65.83 1xw9 h THR 16 Cb 1.14 2.22 -0.06 0.00 -1.74 0.00 0.00 68.15 69.71 1xw9 h THR 16 CO 0.10 0.40 0.56 0.50 0.37 0.00 0.00 175.52 177.44 1xw9 h LYS 17 N -0.31 0.85 0.00 6.66 3.64 0.26 0.27 116.57 127.94 1xw9 h LYS 17 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xw9 h LYS 17 Cb 0.70 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1xw9 h LYS 17 CO 0.03 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 1xw9 n ALA 18 N -2.42 1.63 0.00 5.00 0.00 -0.85 -4.86 120.51 119.02 1xw9 n ALA 18 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xw9 n ALA 18 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1xw9 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xw9 n SER 19 N -1.38 0.00 -2.11 0.00 2.88 0.95 -0.95 113.62 113.01 1xw9 n SER 19 Ca 0.04 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.31 1xw9 n SER 19 Cb 0.11 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.66 1xw9 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xw9 n GLY 20 N 0.00 5.84 3.73 0.46 0.00 -1.26 -4.07 105.19 109.88 1xw9 n GLY 20 Ca 0.00 -2.22 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 1xw9 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xw9 s LYS 21 N -3.66 2.63 0.18 1.61 1.02 -0.13 -4.90 119.74 116.50 1xw9 s LYS 21 Ca 0.58 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 1xw9 s LYS 21 Cb 0.47 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1xw9 s LYS 21 CO 0.01 0.47 1.36 -1.17 -0.92 0.00 0.00 175.35 175.10 1xw9 s LEU 22 N -3.02 4.40 -0.13 3.17 2.96 -0.91 -4.44 118.68 120.70 1xw9 s LEU 22 Ca 0.29 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 1xw9 s LEU 22 Cb -0.10 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1xw9 s LEU 22 CO 0.21 -0.60 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.86 1xw9 s VAL 23 N 0.43 3.42 -0.25 1.68 1.01 0.23 -1.07 120.40 125.85 1xw9 s VAL 23 Ca 0.60 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1xw9 s VAL 23 Cb -0.38 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1xw9 s VAL 23 CO 0.36 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 175.24 1xw9 s VAL 24 N 0.22 2.94 -0.23 2.92 1.01 -0.05 -1.03 120.40 126.19 1xw9 s VAL 24 Ca -0.06 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1xw9 s VAL 24 Cb -0.15 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1xw9 s VAL 24 CO 0.04 0.22 0.18 -0.76 0.00 0.00 0.00 175.10 174.79 1xw9 s LEU 25 N 1.35 4.13 -0.39 3.92 1.43 -0.54 -0.25 118.68 128.33 1xw9 s LEU 25 Ca 0.01 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1xw9 s LEU 25 Cb -0.16 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 44.00 1xw9 s LEU 25 CO -0.04 0.06 0.18 -0.62 0.23 0.00 0.00 176.35 176.16 1xw9 s ASP 26 N 0.98 5.29 -0.25 2.29 2.15 0.18 -2.18 116.67 125.14 1xw9 s ASP 26 Ca 0.09 -1.72 -0.25 0.00 0.43 0.00 0.00 52.55 51.09 1xw9 s ASP 26 Cb -0.13 -1.85 -0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1xw9 s ASP 26 CO 0.04 -0.48 0.87 -0.36 -0.17 0.00 0.00 175.17 175.07 1xw9 s PHE 27 N 1.25 3.30 0.10 -5.34 0.08 -0.23 -1.53 117.98 115.61 1xw9 s PHE 27 Ca 0.04 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.26 1xw9 s PHE 27 Cb -0.22 -3.14 -0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1xw9 s PHE 27 CO -0.02 -0.45 0.11 1.97 -0.10 0.00 0.00 175.22 176.74 1xw9 n PHE 28 N 6.12 -0.47 -3.71 0.36 1.16 -1.03 -1.79 117.46 118.10 1xw9 n PHE 28 Ca 0.07 -0.78 -0.14 0.00 -1.87 0.00 0.00 57.45 54.72 1xw9 n PHE 28 Cb 0.47 0.12 -0.09 0.00 -1.61 0.00 0.00 39.48 38.38 1xw9 n PHE 28 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xw9 s ALA 29 N -2.19 -1.03 0.47 1.98 0.00 -1.26 -1.00 121.76 118.73 1xw9 s ALA 29 Ca 0.11 0.80 0.39 0.00 0.00 0.00 0.00 51.96 53.25 1xw9 s ALA 29 Cb 0.00 -0.22 1.99 0.00 0.00 0.00 0.00 23.12 24.89 1xw9 s ALA 29 CO 0.07 -0.26 2.22 1.79 0.00 0.00 0.00 175.76 179.59 1xw9 h THR 30 N 3.95 0.10 -0.01 0.00 1.35 -2.00 -2.19 112.91 114.11 1xw9 h THR 30 Ca -0.28 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1xw9 h THR 30 Cb 1.17 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1xw9 h THR 30 CO 0.34 0.02 -0.35 -2.67 -0.25 0.00 0.00 175.52 172.60 1xw9 n TRP 31 N -3.19 0.00 -2.67 4.73 4.27 -1.26 -4.88 117.44 114.44 1xw9 n TRP 31 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 1xw9 n TRP 31 Cb 0.16 -0.09 -0.02 0.00 -1.36 0.00 0.00 31.31 29.99 1xw9 n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xw9 h GLY 33 N 9.88 -0.87 1.61 0.00 0.00 -1.89 -2.98 103.07 108.81 1xw9 h GLY 33 Ca -0.20 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1xw9 h GLY 33 CO 1.01 -0.32 0.17 -0.56 0.00 0.00 0.00 176.54 176.84 1xw9 h PRO 34 N -0.99 0.00 -0.02 4.80 0.13 -1.93 -1.56 132.00 132.42 1xw9 h PRO 34 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1xw9 h PRO 34 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1xw9 h PRO 34 CO 0.14 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 177.89 1xw9 h LYS 36 N -0.41 0.00 -0.08 0.00 1.57 -1.23 -1.99 116.57 114.43 1xw9 h LYS 36 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1xw9 h LYS 36 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1xw9 h LYS 36 CO 0.01 0.21 -0.63 1.98 -0.57 0.00 0.00 179.45 180.45 1xw9 h MET 37 N 0.00 0.29 -0.02 3.15 4.05 -1.11 -3.26 114.93 118.03 1xw9 h MET 37 Ca -0.00 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1xw9 h MET 37 Cb 0.46 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1xw9 h MET 37 CO 0.03 0.83 -0.49 1.51 0.23 0.00 0.00 176.91 179.02 1xw9 n ILE 38 N -3.86 0.00 0.02 1.77 3.06 -0.72 -4.53 119.36 115.10 1xw9 n ILE 38 Ca -0.03 -0.25 -0.12 0.00 -2.50 0.00 0.00 62.75 59.85 1xw9 n ILE 38 Cb 0.64 1.24 -0.07 0.00 0.54 0.00 0.00 39.64 41.99 1xw9 n ILE 38 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1xw9 h SER 39 N 2.38 0.03 -0.70 9.51 0.87 -1.41 -1.60 113.55 122.63 1xw9 h SER 39 Ca 0.00 -0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.63 1xw9 h SER 39 Cb 0.75 -0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 62.59 1xw9 h SER 39 CO 0.00 0.10 0.06 -0.65 -0.53 0.00 0.00 176.83 175.80 1xw9 h PRO 40 N -0.05 0.15 -0.25 2.24 0.11 -1.80 0.47 132.00 132.87 1xw9 h PRO 40 Ca 0.01 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1xw9 h PRO 40 Cb 0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1xw9 h PRO 40 CO -0.00 0.10 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.48 1xw9 h LYS 41 N 0.16 0.45 -0.20 1.05 1.63 -1.82 -0.85 116.57 116.99 1xw9 h LYS 41 Ca 0.38 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.97 1xw9 h LYS 41 Cb 0.65 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1xw9 h LYS 41 CO -0.57 0.62 -0.20 1.25 -3.45 0.00 0.00 179.45 177.10 1xw9 h LEU 42 N 0.41 0.33 -0.02 5.20 5.85 0.83 0.33 115.31 128.24 1xw9 h LEU 42 Ca 0.07 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xw9 h LEU 42 Cb 0.56 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1xw9 h LEU 42 CO 0.04 0.55 -0.07 0.58 -0.34 0.00 0.00 178.44 179.19 1xw9 h VAL 43 N 0.31 1.48 -0.78 1.05 2.07 -0.19 -1.59 116.25 118.60 1xw9 h VAL 43 Ca 0.05 -1.52 0.09 0.00 0.82 0.00 0.00 66.70 66.15 1xw9 h VAL 43 Cb 0.53 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 1xw9 h VAL 43 CO 0.04 0.41 0.43 -0.08 0.02 0.00 0.00 177.57 178.38 1xw9 h GLU 44 N -0.49 0.71 -0.29 1.57 4.81 -0.99 -0.38 114.58 119.51 1xw9 h GLU 44 Ca -0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1xw9 h GLU 44 Cb 0.70 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1xw9 h GLU 44 CO 0.02 0.47 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.48 1xw9 h LEU 45 N 0.73 0.55 -0.78 1.64 3.38 -0.94 -1.29 115.31 118.59 1xw9 h LEU 45 Ca 0.38 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1xw9 h LEU 45 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xw9 h LEU 45 CO -0.25 0.77 0.02 -1.28 0.09 0.00 0.00 178.44 177.79 1xw9 h SER 46 N 0.49 0.91 0.44 -0.43 0.87 -0.06 -0.84 113.55 114.92 1xw9 h SER 46 Ca 0.08 -0.23 -0.27 0.00 -1.23 0.00 0.00 61.79 60.13 1xw9 h SER 46 Cb 0.64 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1xw9 h SER 46 CO 0.05 0.96 -1.20 0.71 -0.53 0.00 0.00 176.83 176.81 1xw9 h THR 47 N 0.88 1.42 -0.74 2.23 1.35 -1.11 -1.90 112.91 115.03 1xw9 h THR 47 Ca 0.17 -2.78 -0.04 0.00 -0.55 0.00 0.00 66.41 63.21 1xw9 h THR 47 Cb 0.48 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 1xw9 h THR 47 CO 0.02 0.82 0.30 -0.61 -0.25 0.00 0.00 175.52 175.80 1xw9 h GLN 48 N 0.15 1.10 -0.40 4.72 4.15 -1.09 -3.05 115.11 120.69 1xw9 h GLN 48 Ca -0.15 -0.19 -0.14 0.00 0.77 0.00 0.00 58.65 58.95 1xw9 h GLN 48 Cb 1.90 -0.18 -0.08 0.00 0.21 0.00 0.00 27.48 29.32 1xw9 h GLN 48 CO 0.21 0.89 0.04 1.19 -1.93 0.00 0.00 178.83 179.24 1xw9 n PHE 49 N -4.29 1.32 -0.60 3.99 3.01 -0.33 -5.02 117.46 115.54 1xw9 n PHE 49 Ca 0.07 -1.29 -0.30 0.00 1.01 0.00 0.00 57.45 56.94 1xw9 n PHE 49 Cb 0.18 -0.48 0.20 0.00 -0.01 0.00 0.00 39.48 39.38 1xw9 n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xw9 n ALA 50 N -0.78 -1.80 0.00 4.37 0.00 -0.71 -1.99 120.51 119.59 1xw9 n ALA 50 Ca 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1xw9 n ALA 50 Cb 1.07 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xw9 n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xw9 n ASP 51 N -4.37 0.00 -0.02 0.00 4.64 -1.26 -4.51 116.55 111.03 1xw9 n ASP 51 Ca 0.08 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.54 1xw9 n ASP 51 Cb 0.53 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.55 1xw9 n ASP 51 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1xw9 n ASN 52 N 1.77 0.57 -3.87 1.67 4.13 -1.05 -4.99 115.26 113.50 1xw9 n ASN 52 Ca 0.00 -0.79 -0.11 0.00 1.68 0.00 0.00 54.58 55.36 1xw9 n ASN 52 Cb 0.00 0.96 -0.11 0.00 -1.54 0.00 0.00 39.78 39.08 1xw9 n ASN 52 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xw9 s VAL 53 N -1.97 0.05 -0.06 2.41 1.01 -0.84 -2.13 120.40 118.87 1xw9 s VAL 53 Ca 0.05 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1xw9 s VAL 53 Cb 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.18 1xw9 s VAL 53 CO 0.43 -0.24 -0.16 0.54 0.00 0.00 0.00 175.10 175.68 1xw9 s VAL 54 N -0.77 1.39 -0.14 2.92 0.11 -0.24 -4.59 120.40 119.09 1xw9 s VAL 54 Ca -0.09 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 1xw9 s VAL 54 Cb -0.05 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1xw9 s VAL 54 CO 0.01 0.41 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.47 1xw9 s VAL 55 N 0.39 4.00 -0.10 2.04 1.01 -1.26 -0.87 120.40 125.62 1xw9 s VAL 55 Ca -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xw9 s VAL 55 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.52 1xw9 s VAL 55 CO 0.04 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 1xw9 s LEU 56 N 0.06 1.48 0.04 3.92 2.01 0.66 -3.10 118.68 123.75 1xw9 s LEU 56 Ca 0.01 -0.33 -0.10 0.00 0.01 0.00 0.00 54.13 53.71 1xw9 s LEU 56 Cb -0.13 -0.90 -0.05 0.00 0.01 0.00 0.00 46.19 45.12 1xw9 s LEU 56 CO 0.02 -0.03 0.37 -0.54 1.01 0.00 0.00 176.35 177.18 1xw9 s LYS 57 N 1.17 3.74 -0.24 1.70 1.02 0.24 -0.64 119.74 126.74 1xw9 s LYS 57 Ca -0.04 0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.08 1xw9 s LYS 57 Cb -0.14 -3.06 0.08 0.00 -0.52 0.00 0.00 37.83 34.18 1xw9 s LYS 57 CO -0.03 0.61 0.06 0.54 -0.92 0.00 0.00 175.35 175.61 1xw9 s VAL 58 N -1.31 0.61 -0.43 3.17 0.11 -0.58 -3.81 120.40 118.16 1xw9 s VAL 58 Ca 0.30 -0.86 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 1xw9 s VAL 58 Cb -0.14 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1xw9 s VAL 58 CO 0.16 -0.39 1.65 -0.62 -3.33 0.00 0.00 175.10 172.57 1xw9 s ASP 59 N 1.79 5.93 0.58 3.54 3.68 -1.26 -2.48 116.67 128.46 1xw9 s ASP 59 Ca 0.03 0.86 0.28 0.00 2.13 0.00 0.00 52.55 55.85 1xw9 s ASP 59 Cb -0.17 -2.53 1.57 0.00 -1.45 0.00 0.00 42.92 40.34 1xw9 s ASP 59 CO -0.16 -1.75 2.05 -0.37 0.13 0.00 0.00 175.17 175.07 1xw9 h VAL 60 N 6.67 0.51 0.07 1.11 -1.51 -1.35 0.42 116.25 122.17 1xw9 h VAL 60 Ca -0.30 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 64.93 1xw9 h VAL 60 Cb 1.14 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1xw9 h VAL 60 CO 1.10 0.00 -1.09 0.44 -1.23 0.00 0.00 177.57 176.79 1xw9 h ASP 61 N 0.00 0.44 1.03 4.19 3.32 -1.90 -2.33 116.42 121.17 1xw9 h ASP 61 Ca 0.13 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 1xw9 h ASP 61 Cb 0.67 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1xw9 h ASP 61 CO -0.00 1.26 -1.03 -0.08 -1.72 0.00 0.00 179.24 177.67 1xw9 h GLU 62 N 0.13 0.00 -1.70 3.56 4.57 -1.44 -3.38 114.58 116.32 1xw9 h GLU 62 Ca -0.10 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.55 1xw9 h GLU 62 Cb 1.77 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.95 1xw9 h GLU 62 CO 0.18 0.26 -0.87 0.00 -1.18 0.00 0.00 179.01 177.40 1xw9 h GLU 64 N 2.84 0.69 -0.61 0.00 5.08 -1.60 -0.58 114.58 120.40 1xw9 h GLU 64 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1xw9 h GLU 64 Cb 0.86 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1xw9 h GLU 64 CO 0.72 0.46 0.32 0.38 -1.00 0.00 0.00 179.01 179.88 1xw9 h ASP 65 N 0.71 0.75 0.37 1.42 -0.00 -1.91 0.17 116.42 117.93 1xw9 h ASP 65 Ca 0.51 -0.06 -0.21 0.00 -0.00 0.00 0.00 57.03 57.27 1xw9 h ASP 65 Cb 0.84 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 39.98 1xw9 h ASP 65 CO -0.27 0.61 -0.89 0.40 -0.00 0.00 0.00 179.24 179.10 1xw9 h ILE 66 N 0.85 1.41 -0.33 4.15 2.04 -1.54 -2.27 117.51 121.82 1xw9 h ILE 66 Ca 0.21 -2.42 -0.06 0.00 1.00 0.00 0.00 64.86 63.60 1xw9 h ILE 66 Cb 0.04 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1xw9 h ILE 66 CO -0.03 0.72 -0.05 0.00 0.00 0.00 0.00 178.15 178.79 1xw9 h ALA 67 N 0.82 1.31 -0.01 1.87 0.00 -0.48 -1.93 119.26 120.85 1xw9 h ALA 67 Ca -0.06 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1xw9 h ALA 67 Cb 1.51 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1xw9 h ALA 67 CO 0.15 0.47 -0.88 1.98 0.00 0.00 0.00 179.25 180.96 1xw9 h MET 68 N 0.50 0.33 -0.52 0.00 1.85 -0.93 -1.28 114.93 114.88 1xw9 h MET 68 Ca 0.10 -0.34 -0.03 0.00 -0.61 0.00 0.00 59.70 58.82 1xw9 h MET 68 Cb 0.40 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1xw9 h MET 68 CO 0.02 1.03 0.21 1.49 -0.40 0.00 0.00 176.91 179.25 1xw9 h GLU 69 N 0.19 0.77 -0.10 0.39 4.81 -0.88 -2.54 114.58 117.22 1xw9 h GLU 69 Ca -0.06 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1xw9 h GLU 69 Cb 1.51 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1xw9 h GLU 69 CO 0.15 0.68 0.00 0.66 -0.73 0.00 0.00 179.01 179.77 1xw9 n TYR 70 N -4.54 0.13 -3.50 0.92 4.02 -0.77 -4.94 117.16 108.48 1xw9 n TYR 70 Ca 0.02 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.90 57.64 1xw9 n TYR 70 Cb 0.16 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.56 1xw9 n TYR 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xw9 n ASN 71 N -0.05 -4.32 -4.76 7.72 5.03 -0.96 -4.96 115.26 112.97 1xw9 n ASN 71 Ca 0.16 -0.57 -0.41 0.00 0.87 0.00 0.00 54.58 54.64 1xw9 n ASN 71 Cb 0.25 -5.00 -0.03 0.00 -1.02 0.00 0.00 39.78 33.98 1xw9 n ASN 71 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xw9 s ILE 72 N -3.33 3.09 0.00 2.41 -1.09 -0.51 -4.89 121.20 116.88 1xw9 s ILE 72 Ca 0.31 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 1xw9 s ILE 72 Cb -0.14 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1xw9 s ILE 72 CO 0.72 0.22 0.00 -1.54 -1.23 0.00 0.00 174.94 173.10 1xw9 n SER 73 N 1.49 0.00 -3.84 3.58 3.41 -1.26 -4.91 113.62 112.09 1xw9 n SER 73 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1xw9 n SER 73 Cb 0.43 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1xw9 n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xw9 s SER 74 N 0.00 -0.04 0.06 4.04 0.15 -1.26 -5.17 113.70 111.48 1xw9 s SER 74 Ca 0.00 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.61 1xw9 s SER 74 Cb 0.00 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1xw9 s SER 74 CO 0.00 -0.36 -0.14 -0.04 1.20 0.00 0.00 173.24 173.90 1xw9 s MET 75 N -1.23 0.86 0.36 5.44 1.00 -1.26 -3.47 119.30 121.00 1xw9 s MET 75 Ca -0.13 -0.88 -0.21 0.00 0.00 0.00 0.00 55.69 54.46 1xw9 s MET 75 Cb -0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 34.83 33.79 1xw9 s MET 75 CO 0.02 0.20 0.89 -1.25 0.00 0.00 0.00 175.02 174.88 1xw9 s PRO 76 N -1.52 4.28 -0.15 2.03 0.04 -1.26 -4.61 135.00 133.80 1xw9 s PRO 76 Ca -0.01 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 1xw9 s PRO 76 Cb -0.09 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1xw9 s PRO 76 CO 0.02 0.12 -0.04 0.99 0.04 0.00 0.00 177.00 178.13 1xw9 s THR 77 N -1.94 3.83 -0.22 1.26 2.01 -0.74 -0.12 115.64 119.72 1xw9 s THR 77 Ca 0.56 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1xw9 s THR 77 Cb -0.12 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1xw9 s THR 77 CO 0.17 0.50 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.23 1xw9 s PHE 78 N 0.34 2.99 -0.10 4.92 0.08 0.16 -1.07 117.98 125.31 1xw9 s PHE 78 Ca -0.05 -0.77 0.04 0.00 0.12 0.00 0.00 56.93 56.27 1xw9 s PHE 78 Cb -0.14 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.17 1xw9 s PHE 78 CO 0.03 -0.47 -0.23 0.54 -0.10 0.00 0.00 175.22 174.99 1xw9 s VAL 79 N 1.46 2.15 -0.19 -0.44 0.11 -0.92 -0.44 120.40 122.13 1xw9 s VAL 79 Ca 0.05 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1xw9 s VAL 79 Cb -0.14 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.87 1xw9 s VAL 79 CO -0.01 0.56 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.92 1xw9 s PHE 80 N 0.27 2.98 0.08 1.54 0.40 0.35 -1.46 117.98 122.14 1xw9 s PHE 80 Ca -0.16 -0.59 0.09 0.00 -0.60 0.00 0.00 56.93 55.67 1xw9 s PHE 80 Cb -0.17 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 1xw9 s PHE 80 CO 0.08 -0.29 -0.24 -0.51 0.70 0.00 0.00 175.22 174.96 1xw9 s LEU 81 N 0.93 2.36 -0.20 -0.37 1.43 -0.20 -0.21 118.68 122.42 1xw9 s LEU 81 Ca -0.00 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1xw9 s LEU 81 Cb -0.15 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.83 1xw9 s LEU 81 CO 0.01 0.23 0.24 -0.54 0.23 0.00 0.00 176.35 176.52 1xw9 s LYS 82 N -1.61 0.20 -1.42 1.70 1.02 -0.03 0.75 119.74 120.35 1xw9 s LYS 82 Ca 0.14 0.29 -0.10 0.00 0.02 0.00 0.00 55.97 56.32 1xw9 s LYS 82 Cb -0.10 -1.01 0.03 0.00 -0.52 0.00 0.00 37.83 36.23 1xw9 s LYS 82 CO 0.05 -0.62 1.08 0.09 -0.92 0.00 0.00 175.35 175.03 1xw9 n ASN 83 N 5.33 -5.98 0.00 2.83 3.02 -1.26 -2.03 115.26 117.17 1xw9 n ASN 83 Ca -0.05 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1xw9 n ASN 83 Cb 0.50 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 1xw9 n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xw9 n GLY 84 N -1.88 2.28 3.79 7.41 0.00 -1.26 -5.02 105.19 110.50 1xw9 n GLY 84 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xw9 n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xw9 s VAL 85 N -2.42 5.27 -0.57 1.61 1.01 -0.86 -5.04 120.40 119.39 1xw9 s VAL 85 Ca 0.00 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 1xw9 s VAL 85 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1xw9 s VAL 85 CO 0.00 0.48 0.97 -0.75 0.00 0.00 0.00 175.10 175.80 1xw9 s LYS 86 N -0.24 3.31 0.15 2.72 2.20 -1.26 -0.85 119.74 125.77 1xw9 s LYS 86 Ca 0.18 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1xw9 s LYS 86 Cb -0.14 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 1xw9 s LYS 86 CO 0.07 -1.55 1.35 -0.24 -0.36 0.00 0.00 175.35 174.62 1xw9 h VAL 87 N 6.02 1.44 -1.38 4.02 3.04 -0.94 -3.49 116.25 124.97 1xw9 h VAL 87 Ca -0.26 -2.50 0.35 0.00 -1.01 0.00 0.00 66.70 63.28 1xw9 h VAL 87 Cb 1.07 2.41 -0.12 0.00 -2.01 0.00 0.00 31.29 32.64 1xw9 h VAL 87 CO 1.11 0.74 0.88 -0.70 -1.01 0.00 0.00 177.57 178.59 1xw9 s GLU 88 N -3.27 0.28 -0.14 4.17 2.12 -1.17 -5.00 118.70 115.70 1xw9 s GLU 88 Ca -0.04 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1xw9 s GLU 88 Cb 0.10 0.09 0.11 0.00 0.26 0.00 0.00 34.13 34.69 1xw9 s GLU 88 CO 0.85 -0.13 0.88 -1.83 -0.54 0.00 0.00 175.26 174.49 1xw9 s GLU 89 N -2.27 0.75 0.17 4.30 -1.05 -1.26 0.13 118.70 119.47 1xw9 s GLU 89 Ca 0.16 0.24 -0.18 0.00 -0.15 0.00 0.00 54.97 55.04 1xw9 s GLU 89 Cb 0.05 0.36 0.04 0.00 -0.44 0.00 0.00 34.13 34.14 1xw9 s GLU 89 CO -0.05 -0.22 0.49 -0.59 0.95 0.00 0.00 175.26 175.85 1xw9 s PHE 90 N -0.99 -0.21 0.22 4.83 -0.71 0.42 -4.98 117.98 116.56 1xw9 s PHE 90 Ca -0.04 -0.11 0.11 0.00 -1.04 0.00 0.00 56.93 55.85 1xw9 s PHE 90 Cb -0.01 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1xw9 s PHE 90 CO 0.04 -0.84 -0.17 0.00 -1.34 0.00 0.00 175.22 172.91 1xw9 s ALA 91 N -3.83 2.75 0.00 1.99 0.00 -1.26 0.35 121.76 121.76 1xw9 s ALA 91 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1xw9 s ALA 91 Cb -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1xw9 s ALA 91 CO -0.07 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1xw9 n GLY 92 N -0.12 2.81 2.43 0.00 0.00 0.83 -4.81 105.19 106.32 1xw9 n GLY 92 Ca -0.10 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.76 1xw9 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw9 n ALA 93 N 0.35 6.44 -2.87 4.61 0.00 -1.26 -4.58 120.51 123.20 1xw9 n ALA 93 Ca 0.00 -2.90 -0.44 0.00 0.00 0.00 0.00 53.44 50.10 1xw9 n ALA 93 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 1xw9 n ALA 93 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xw9 s ASN 94 N 0.53 6.82 0.24 0.00 3.84 -1.26 -4.87 114.94 120.24 1xw9 s ASN 94 Ca 0.60 -2.42 -0.07 0.00 0.21 0.00 0.00 52.86 51.17 1xw9 s ASN 94 Cb 0.38 -2.43 0.42 0.00 -0.55 0.00 0.00 41.25 39.06 1xw9 s ASN 94 CO -0.20 -0.98 1.66 0.00 -2.79 0.00 0.00 177.10 174.79 1xw9 h ALA 95 N 8.10 0.81 -0.65 1.71 0.00 -1.96 -0.06 119.26 127.22 1xw9 h ALA 95 Ca 0.26 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1xw9 h ALA 95 Cb 0.94 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1xw9 h ALA 95 CO 1.23 -0.39 0.40 -0.22 0.00 0.00 0.00 179.25 180.27 1xw9 h LYS 96 N 0.16 0.88 -0.58 0.00 1.63 -2.00 -1.24 116.57 115.42 1xw9 h LYS 96 Ca 0.39 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 60.03 1xw9 h LYS 96 Cb 0.68 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1xw9 h LYS 96 CO -0.58 0.62 0.01 -0.09 -3.45 0.00 0.00 179.45 175.96 1xw9 h ARG 97 N 0.88 0.99 -0.51 1.90 2.43 -1.66 -1.64 114.38 116.77 1xw9 h ARG 97 Ca 0.23 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1xw9 h ARG 97 Cb -0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1xw9 h ARG 97 CO -0.04 0.97 0.32 1.25 -1.51 0.00 0.00 179.97 180.95 1xw9 h LEU 98 N 0.91 0.52 -0.45 3.80 5.85 -0.52 -2.15 115.31 123.28 1xw9 h LEU 98 Ca 0.17 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 1xw9 h LEU 98 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xw9 h LEU 98 CO 0.03 0.37 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.15 1xw9 h GLU 99 N 0.63 0.97 -0.38 1.25 4.81 -1.05 -2.67 114.58 118.15 1xw9 h GLU 99 Ca 0.20 -0.45 0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1xw9 h GLU 99 Cb -0.01 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1xw9 h GLU 99 CO -0.08 1.12 0.03 -0.44 -0.73 0.00 0.00 179.01 178.91 1xw9 h ASP 100 N 0.81 -0.08 0.06 1.04 3.45 -0.97 0.65 116.42 121.38 1xw9 h ASP 100 Ca 0.09 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 1xw9 h ASP 100 Cb 0.85 0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1xw9 h ASP 100 CO 0.08 -0.01 -0.03 0.58 -1.57 0.00 0.00 179.24 178.29 1xw9 h VAL 101 N 0.14 0.95 0.25 -1.35 2.07 -1.32 0.17 116.25 117.17 1xw9 h VAL 101 Ca 0.18 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1xw9 h VAL 101 Cb 0.24 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xw9 h VAL 101 CO -0.28 0.00 -0.29 0.40 0.02 0.00 0.00 177.57 177.42 1xw9 h ILE 102 N -0.08 0.38 -0.76 4.57 2.04 -1.12 -0.60 117.51 121.94 1xw9 h ILE 102 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1xw9 h ILE 102 Cb 0.07 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1xw9 h ILE 102 CO 0.01 0.00 0.48 0.50 0.00 0.00 0.00 178.15 179.14 1xw9 h LYS 103 N -0.59 1.01 0.00 2.37 3.64 -0.77 -1.74 116.57 120.49 1xw9 h LYS 103 Ca -0.00 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1xw9 h LYS 103 Cb 0.56 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1xw9 h LYS 103 CO -0.09 0.69 -0.40 0.00 -2.27 0.00 0.00 179.45 177.38 1xw9 h ALA 104 N 1.49 1.00 -0.06 5.00 0.00 -0.30 -3.32 119.26 123.06 1xw9 h ALA 104 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xw9 h ALA 104 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xw9 h ALA 104 CO -0.06 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.79 1xw9 n ASN 105 N -3.57 2.49 0.00 0.00 4.13 -0.26 -5.07 115.26 112.98 1xw9 n ASN 105 Ca -0.00 -2.69 0.02 0.00 1.68 0.00 0.00 54.58 53.58 1xw9 n ASN 105 Cb 0.52 -0.31 0.13 0.00 -1.54 0.00 0.00 39.78 38.58 1xw9 n ASN 105 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84