#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx5 s PRO 6 N 0.00 0.92 -0.24 2.12 0.02 -1.26 -4.74 135.00 131.82 3kx5 s PRO 6 Ca 0.00 1.11 -0.16 0.00 0.02 0.00 0.00 61.00 61.96 3kx5 s PRO 6 Cb 0.00 -1.75 0.07 0.00 0.02 0.00 0.00 34.50 32.84 3kx5 s PRO 6 CO 0.00 -2.56 0.62 -1.14 -0.33 0.00 0.00 177.00 173.59 3kx5 s GLN 7 N -4.75 0.65 1.18 5.54 0.74 -1.26 -1.38 119.66 120.39 3kx5 s GLN 7 Ca 0.65 1.03 -0.20 0.00 0.05 0.00 0.00 55.36 56.89 3kx5 s GLN 7 Cb -0.21 0.17 0.29 0.00 1.10 0.00 0.00 33.01 34.36 3kx5 s GLN 7 CO 0.59 -0.13 1.17 -1.25 -0.55 0.00 0.00 175.29 175.11 3kx5 s PRO 8 N 1.19 -1.11 0.16 1.67 0.04 -1.26 -4.93 135.00 130.76 3kx5 s PRO 8 Ca -0.07 -0.26 -0.34 0.00 0.04 0.00 0.00 61.00 60.37 3kx5 s PRO 8 Cb -0.05 -1.63 -0.15 0.00 0.04 0.00 0.00 34.50 32.71 3kx5 s PRO 8 CO -0.12 -3.60 1.36 1.17 0.04 0.00 0.00 177.00 175.85 3kx5 n LYS 9 N -4.64 1.58 -3.91 4.56 4.81 -1.26 -4.95 118.16 114.34 3kx5 n LYS 9 Ca 0.15 0.57 -0.21 0.00 -0.87 0.00 0.00 58.31 57.95 3kx5 n LYS 9 Cb 0.60 -2.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.41 3kx5 n LYS 9 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kx5 s THR 10 N 0.28 3.87 -0.29 3.15 -4.23 -1.26 -4.49 115.64 112.67 3kx5 s THR 10 Ca 0.76 -1.37 0.20 0.00 -1.18 0.00 0.00 61.69 60.10 3kx5 s THR 10 Cb -0.80 -3.27 0.48 0.00 1.34 0.00 0.00 72.50 70.26 3kx5 s THR 10 CO 0.47 -0.24 1.04 0.49 -0.54 0.00 0.00 174.62 175.84 3kx5 n PHE 11 N -1.31 1.29 -0.58 3.99 3.01 0.25 -4.95 117.46 119.16 3kx5 n PHE 11 Ca -0.04 -2.45 0.00 0.00 1.01 0.00 0.00 57.45 55.97 3kx5 n PHE 11 Cb 0.59 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3kx5 n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kx5 n GLY 12 N -0.36 0.00 5.00 1.37 0.00 -1.26 -2.76 105.19 107.18 3kx5 n GLY 12 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3kx5 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kx5 n GLU 13 N -0.36 0.00 0.07 1.61 -0.58 -1.26 -3.67 120.64 116.45 3kx5 n GLU 13 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3kx5 n GLU 13 Cb 0.00 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.16 3kx5 n GLU 13 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kx5 n LEU 14 N 0.00 0.71 0.00 -4.62 4.77 -1.11 -4.34 117.00 112.41 3kx5 n LEU 14 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3kx5 n LEU 14 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3kx5 n LEU 14 CO 0.00 -0.09 0.00 0.29 -1.33 0.00 0.00 177.39 176.26 3kx5 n LYS 15 N -2.12 0.00 0.00 3.23 4.76 -1.24 -1.47 118.16 121.32 3kx5 n LYS 15 Ca 0.04 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.60 3kx5 n LYS 15 Cb 0.43 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.84 3kx5 n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kx5 n ASN 16 N 6.95 0.93 -0.17 4.39 5.03 0.99 0.87 115.26 134.25 3kx5 n ASN 16 Ca 0.00 -0.73 -0.01 0.00 0.87 0.00 0.00 54.58 54.71 3kx5 n ASN 16 Cb 0.00 0.32 0.07 0.00 -1.02 0.00 0.00 39.78 39.16 3kx5 n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kx5 h LEU 17 N 0.73 -0.21 -2.14 3.41 5.85 -1.21 -0.49 115.31 121.26 3kx5 h LEU 17 Ca 0.00 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3kx5 h LEU 17 Cb 0.53 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3kx5 h LEU 17 CO 0.00 -0.08 0.30 -0.65 -0.34 0.00 0.00 178.44 177.68 3kx5 h PRO 18 N 0.13 0.00 0.00 5.25 0.11 -1.81 -0.16 132.00 135.51 3kx5 h PRO 18 Ca 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 3kx5 h PRO 18 Cb 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3kx5 h PRO 18 CO -0.45 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.27 3kx5 h LEU 19 N 0.00 0.00 -2.24 2.35 3.38 -1.42 -1.27 115.31 116.11 3kx5 h LEU 19 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kx5 h LEU 19 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kx5 h LEU 19 CO -0.00 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.72 3kx5 n LEU 20 N -4.07 3.34 -3.56 1.67 4.77 -0.08 -4.57 117.00 114.51 3kx5 n LEU 20 Ca -0.03 -1.40 -0.39 0.00 -0.03 0.00 0.00 56.01 54.16 3kx5 n LEU 20 Cb 0.09 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3kx5 n LEU 20 CO 0.30 0.69 2.68 -3.20 -1.33 0.00 0.00 177.39 176.52 3kx5 n ASN 21 N 1.44 4.71 -3.74 -1.43 5.15 -0.48 -4.77 115.26 116.14 3kx5 n ASN 21 Ca 0.18 -2.69 -0.11 0.00 -0.60 0.00 0.00 54.58 51.36 3kx5 n ASN 21 Cb 0.60 -1.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.33 3kx5 n ASN 21 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3kx5 s THR 22 N 3.41 0.09 -1.48 -0.44 -1.32 -1.26 -5.04 115.64 109.60 3kx5 s THR 22 Ca 0.53 -0.76 0.28 0.00 -1.21 0.00 0.00 61.69 60.53 3kx5 s THR 22 Cb 0.15 -1.10 0.51 0.00 -1.51 0.00 0.00 72.50 70.54 3kx5 s THR 22 CO -0.03 -0.42 1.96 -0.90 -2.21 0.00 0.00 174.62 173.02 3kx5 n ASP 23 N 0.19 0.00 -3.19 8.08 5.75 -1.26 -4.11 116.55 122.01 3kx5 n ASP 23 Ca -0.17 -0.17 -0.23 0.00 -0.01 0.00 0.00 54.79 54.21 3kx5 n ASP 23 Cb 0.61 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.39 3kx5 n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kx5 n LYS 24 N -1.26 1.48 -0.31 0.11 5.02 -1.26 -4.03 118.16 117.91 3kx5 n LYS 24 Ca 0.14 -3.76 -0.05 0.00 -2.02 0.00 0.00 58.31 52.62 3kx5 n LYS 24 Cb 0.21 -1.71 0.08 0.00 -0.02 0.00 0.00 35.03 33.59 3kx5 n LYS 24 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kx5 h PRO 25 N 3.53 1.21 -0.26 1.97 0.11 -1.86 -1.63 132.00 135.06 3kx5 h PRO 25 Ca 0.11 -0.17 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 3kx5 h PRO 25 Cb 0.82 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3kx5 h PRO 25 CO 0.59 0.91 -0.55 0.28 -0.21 0.00 0.00 178.00 179.02 3kx5 h VAL 26 N 1.20 1.28 -0.08 3.15 2.07 -1.96 -0.19 116.25 121.73 3kx5 h VAL 26 Ca 0.29 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.96 3kx5 h VAL 26 Cb 0.09 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3kx5 h VAL 26 CO -0.04 0.57 -0.39 1.56 0.02 0.00 0.00 177.57 179.29 3kx5 h GLN 27 N 0.61 0.16 0.04 1.57 4.20 -1.96 -0.02 115.11 119.71 3kx5 h GLN 27 Ca 0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kx5 h GLN 27 Cb 1.15 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3kx5 h GLN 27 CO 0.12 0.53 -0.02 0.00 -0.67 0.00 0.00 178.83 178.79 3kx5 h ALA 28 N 1.47 -0.05 -0.07 3.87 0.00 -0.96 -2.18 119.26 121.35 3kx5 h ALA 28 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kx5 h ALA 28 Cb 0.75 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kx5 h ALA 28 CO 0.06 -0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 3kx5 h LEU 29 N -0.10 0.09 -0.35 0.00 3.38 -0.61 -1.98 115.31 115.73 3kx5 h LEU 29 Ca -0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3kx5 h LEU 29 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kx5 h LEU 29 CO 0.01 0.14 -0.31 0.24 0.09 0.00 0.00 178.44 178.61 3kx5 h MET 30 N 0.10 0.83 -0.55 1.13 2.86 -0.77 -0.99 114.93 117.54 3kx5 h MET 30 Ca 0.02 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3kx5 h MET 30 Cb 0.13 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3kx5 h MET 30 CO 0.01 1.06 0.30 0.87 1.06 0.00 0.00 176.91 180.20 3kx5 h LYS 31 N 0.62 0.77 -0.34 1.72 6.56 -0.94 -0.10 116.57 124.86 3kx5 h LYS 31 Ca 0.06 -0.09 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 3kx5 h LYS 31 Cb 0.89 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.38 3kx5 h LYS 31 CO 0.08 0.60 0.21 0.82 -2.06 0.00 0.00 179.45 179.10 3kx5 h ILE 32 N 0.74 1.05 -0.75 1.86 2.04 -1.32 -2.28 117.51 118.85 3kx5 h ILE 32 Ca 0.19 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3kx5 h ILE 32 Cb 0.06 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3kx5 h ILE 32 CO -0.03 0.08 0.49 0.00 0.00 0.00 0.00 178.15 178.69 3kx5 h ALA 33 N 1.15 1.63 -0.86 1.87 0.00 -0.68 0.30 119.26 122.66 3kx5 h ALA 33 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kx5 h ALA 33 Cb -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3kx5 h ALA 33 CO -0.05 0.27 0.57 -0.44 0.00 0.00 0.00 179.25 179.60 3kx5 h ASP 34 N 0.84 0.91 0.14 0.00 3.32 -0.44 -0.76 116.42 120.45 3kx5 h ASP 34 Ca 0.31 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.10 3kx5 h ASP 34 Cb 0.16 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kx5 h ASP 34 CO -0.10 0.62 -1.23 -0.08 -1.72 0.00 0.00 179.24 176.73 3kx5 h GLU 35 N 1.05 0.30 0.00 3.56 4.57 -1.11 -3.40 114.58 119.56 3kx5 h GLU 35 Ca 0.35 -0.52 -0.12 0.00 -1.18 0.00 0.00 59.36 57.89 3kx5 h GLU 35 Cb 0.07 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3kx5 h GLU 35 CO -0.11 1.25 -1.16 -0.07 -1.18 0.00 0.00 179.01 177.74 3kx5 h LEU 36 N -0.26 0.00 0.00 1.64 3.38 -0.84 -3.51 115.31 115.72 3kx5 h LEU 36 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kx5 h LEU 36 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3kx5 h LEU 36 CO 0.12 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.70 3kx5 n GLY 37 N 1.32 -0.49 0.25 0.83 0.00 -0.30 -4.70 105.19 102.10 3kx5 n GLY 37 Ca -0.06 -2.01 0.15 0.00 0.00 0.00 0.00 46.02 44.11 3kx5 n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kx5 h GLU 38 N 0.00 0.00 -2.87 1.61 4.11 -1.93 -3.44 114.58 112.07 3kx5 h GLU 38 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3kx5 h GLU 38 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 3kx5 h GLU 38 CO 0.00 0.00 -0.34 -1.50 0.07 0.00 0.00 179.01 177.24 3kx5 s ILE 39 N -3.50 -0.01 0.03 -1.06 2.07 -1.26 -0.97 121.20 116.50 3kx5 s ILE 39 Ca 0.03 0.05 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 3kx5 s ILE 39 Cb 0.08 -0.49 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 3kx5 s ILE 39 CO 0.57 0.02 0.15 0.72 -1.91 0.00 0.00 174.94 174.49 3kx5 s PHE 40 N 0.67 0.09 -0.02 3.50 -0.12 -1.05 -4.28 117.98 116.77 3kx5 s PHE 40 Ca -0.04 -0.30 -0.15 0.00 -0.05 0.00 0.00 56.93 56.39 3kx5 s PHE 40 Cb -0.05 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 3kx5 s PHE 40 CO -0.04 -0.37 0.42 0.21 -0.05 0.00 0.00 175.22 175.39 3kx5 s LYS 41 N -2.24 4.02 -0.14 1.99 2.20 -0.48 -1.09 119.74 124.00 3kx5 s LYS 41 Ca -0.08 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.94 3kx5 s LYS 41 Cb -0.03 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 3kx5 s LYS 41 CO -0.02 0.58 -0.03 0.12 -0.36 0.00 0.00 175.35 175.64 3kx5 s PHE 42 N -0.73 1.32 -0.09 4.03 2.19 0.28 -4.32 117.98 120.67 3kx5 s PHE 42 Ca 0.24 -0.78 -0.01 0.00 0.33 0.00 0.00 56.93 56.71 3kx5 s PHE 42 Cb -0.16 -1.14 -0.03 0.00 -1.31 0.00 0.00 43.02 40.38 3kx5 s PHE 42 CO 0.13 -0.53 -0.04 -1.21 1.83 0.00 0.00 175.22 175.39 3kx5 s GLU 43 N 1.76 3.04 0.40 10.12 2.02 -1.26 -1.88 118.70 132.90 3kx5 s GLU 43 Ca 0.02 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.57 3kx5 s GLU 43 Cb -0.14 -2.73 -0.07 0.00 0.10 0.00 0.00 34.13 31.29 3kx5 s GLU 43 CO -0.07 0.57 0.03 0.00 0.02 0.00 0.00 175.26 175.81 3kx5 s ALA 44 N -0.55 3.08 -0.10 5.21 0.00 -0.96 -0.01 121.76 128.44 3kx5 s ALA 44 Ca 0.09 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 49.80 3kx5 s ALA 44 Cb -0.12 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 3kx5 s ALA 44 CO 0.02 -0.16 2.01 -2.14 0.00 0.00 0.00 175.76 175.49 3kx5 s PRO 45 N -3.78 3.70 0.00 0.00 0.02 -1.26 -2.57 135.00 131.12 3kx5 s PRO 45 Ca 0.31 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3kx5 s PRO 45 Cb 0.08 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.38 3kx5 s PRO 45 CO 0.15 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 3kx5 n GLY 46 N 5.02 0.79 3.21 0.52 0.00 -1.26 -5.03 105.19 108.44 3kx5 n GLY 46 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3kx5 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kx5 s ARG 47 N -0.32 0.84 0.01 1.61 1.70 -1.06 -5.17 118.95 116.56 3kx5 s ARG 47 Ca 0.00 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.36 3kx5 s ARG 47 Cb 0.00 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3kx5 s ARG 47 CO 0.00 -0.27 -0.03 0.08 -1.08 0.00 0.00 175.30 174.00 3kx5 s VAL 48 N -3.70 0.19 -0.05 4.99 1.01 -1.26 -2.27 120.40 119.30 3kx5 s VAL 48 Ca 0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3kx5 s VAL 48 Cb 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3kx5 s VAL 48 CO -0.10 -0.17 0.17 -0.89 0.00 0.00 0.00 175.10 174.11 3kx5 s THR 49 N -0.62 0.02 -0.19 3.92 2.01 -0.79 -4.45 115.64 115.54 3kx5 s THR 49 Ca -0.05 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3kx5 s THR 49 Cb -0.05 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 3kx5 s THR 49 CO -0.00 -0.10 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.65 3kx5 s ARG 50 N -0.31 3.49 -0.20 4.92 0.52 -0.83 -0.56 118.95 125.98 3kx5 s ARG 50 Ca -0.04 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 3kx5 s ARG 50 Cb -0.03 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3kx5 s ARG 50 CO 0.01 -0.02 0.37 0.71 0.02 0.00 0.00 175.30 176.38 3kx5 s TYR 51 N 1.03 3.39 -0.10 -0.53 1.51 -0.25 -0.40 117.35 121.99 3kx5 s TYR 51 Ca 0.01 0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 3kx5 s TYR 51 Cb -0.15 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.19 3kx5 s TYR 51 CO 0.00 0.04 0.01 -0.51 -1.11 0.00 0.00 175.55 173.98 3kx5 s LEU 52 N 1.15 3.62 0.00 -1.29 1.43 0.11 -2.52 118.68 121.17 3kx5 s LEU 52 Ca 0.18 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3kx5 s LEU 52 Cb -0.14 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3kx5 s LEU 52 CO 0.07 0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.79 3kx5 n SER 53 N 2.41 2.39 -4.88 2.29 7.64 -0.14 -0.92 113.62 122.41 3kx5 n SER 53 Ca -0.18 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.32 3kx5 n SER 53 Cb 0.53 0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 64.30 3kx5 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kx5 s SER 54 N -1.09 6.16 0.46 6.43 1.04 -1.25 -2.80 113.70 122.65 3kx5 s SER 54 Ca 0.00 0.21 0.15 0.00 0.48 0.00 0.00 55.95 56.79 3kx5 s SER 54 Cb 0.00 -1.85 1.05 0.00 0.10 0.00 0.00 66.02 65.32 3kx5 s SER 54 CO 0.00 0.18 2.01 -0.61 0.98 0.00 0.00 173.24 175.81 3kx5 h GLN 55 N 3.22 0.00 -0.63 4.02 -0.00 -1.91 -0.93 115.11 118.88 3kx5 h GLN 55 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.18 3kx5 h GLN 55 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.61 3kx5 h GLN 55 CO 0.73 0.16 0.36 -0.09 0.00 0.00 0.00 178.83 179.99 3kx5 h ARG 56 N 0.00 0.87 0.09 1.69 2.43 -1.96 -1.08 114.38 116.43 3kx5 h ARG 56 Ca -0.00 -0.09 -0.31 0.00 -0.81 0.00 0.00 59.98 58.77 3kx5 h ARG 56 Cb 0.28 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3kx5 h ARG 56 CO 0.02 0.64 -1.63 -0.07 -1.51 0.00 0.00 179.97 177.43 3kx5 h LEU 57 N 0.86 0.31 -0.99 3.80 3.38 -1.90 -3.35 115.31 117.41 3kx5 h LEU 57 Ca 0.22 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3kx5 h LEU 57 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kx5 h LEU 57 CO -0.04 1.42 -0.36 0.40 0.09 0.00 0.00 178.44 179.95 3kx5 h ILE 58 N 0.05 1.29 -0.50 1.22 2.04 -1.07 -1.74 117.51 118.81 3kx5 h ILE 58 Ca -0.27 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 3kx5 h ILE 58 Cb 2.01 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 3kx5 h ILE 58 CO 0.13 0.43 0.27 0.07 0.00 0.00 0.00 178.15 179.05 3kx5 h LYS 59 N 0.23 0.69 -0.29 2.37 2.10 -1.33 -1.47 116.57 118.86 3kx5 h LYS 59 Ca 0.03 -0.07 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 3kx5 h LYS 59 Cb 0.75 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3kx5 h LYS 59 CO 0.06 0.51 -0.48 0.93 -2.00 0.00 0.00 179.45 178.47 3kx5 h GLU 60 N 0.70 0.84 0.00 0.07 5.08 -1.55 -3.07 114.58 116.66 3kx5 h GLU 60 Ca 0.18 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3kx5 h GLU 60 Cb 0.03 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kx5 h GLU 60 CO -0.03 1.15 -0.01 0.00 -1.00 0.00 0.00 179.01 179.12 3kx5 h ALA 61 N 0.69 1.79 -0.04 3.43 0.00 -0.76 -2.05 119.26 122.31 3kx5 h ALA 61 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kx5 h ALA 61 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kx5 h ALA 61 CO 0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3kx5 s ASP 63 N -1.85 6.05 0.07 0.00 -1.08 -0.77 -4.88 116.67 114.21 3kx5 s ASP 63 Ca 0.38 0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.88 3kx5 s ASP 63 Cb 0.19 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.75 3kx5 s ASP 63 CO 0.31 -1.76 1.46 -0.62 0.52 0.00 0.00 175.17 175.08 3kx5 n GLU 64 N 8.70 0.05 0.23 4.34 1.02 -1.26 -1.16 120.64 132.56 3kx5 n GLU 64 Ca 0.13 0.35 0.14 0.00 -0.02 0.00 0.00 57.16 57.76 3kx5 n GLU 64 Cb 0.49 -1.61 0.41 0.00 -0.02 0.00 0.00 31.44 30.71 3kx5 n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kx5 h SER 65 N 0.00 0.00 0.00 1.62 4.64 -1.97 -3.36 113.55 114.49 3kx5 h SER 65 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3kx5 h SER 65 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3kx5 h SER 65 CO 0.00 0.00 -1.51 0.54 -0.87 0.00 0.00 176.83 174.99 3kx5 n ARG 66 N -2.98 1.76 -3.90 4.77 1.74 -0.31 -4.93 116.66 112.81 3kx5 n ARG 66 Ca 0.03 -0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3kx5 n ARG 66 Cb 0.42 -1.21 -0.11 0.00 -1.02 0.00 0.00 32.46 30.53 3kx5 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kx5 s PHE 67 N -2.36 0.08 0.21 -1.55 0.08 -0.68 -1.52 117.98 112.24 3kx5 s PHE 67 Ca -0.04 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 56.90 3kx5 s PHE 67 Cb 0.04 -0.08 -0.05 0.00 -0.57 0.00 0.00 43.02 42.36 3kx5 s PHE 67 CO 0.35 -0.17 -0.08 0.34 -0.10 0.00 0.00 175.22 175.57 3kx5 s ASP 68 N -0.94 2.15 0.22 1.36 2.15 -0.90 -4.21 116.67 116.51 3kx5 s ASP 68 Ca -0.10 -1.10 -0.32 0.00 0.43 0.00 0.00 52.55 51.45 3kx5 s ASP 68 Cb -0.06 -0.06 -0.13 0.00 -0.30 0.00 0.00 42.92 42.37 3kx5 s ASP 68 CO 0.00 -0.35 1.60 1.17 -0.17 0.00 0.00 175.17 177.43 3kx5 n LYS 69 N -0.37 2.47 -4.06 4.34 4.81 -1.26 -1.15 118.16 122.94 3kx5 n LYS 69 Ca -0.07 0.89 -0.35 0.00 -0.87 0.00 0.00 58.31 57.90 3kx5 n LYS 69 Cb 0.62 -2.67 -0.07 0.00 0.02 0.00 0.00 35.03 32.94 3kx5 n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3kx5 s ASN 70 N 0.79 5.94 -0.70 3.14 2.47 0.01 -4.69 114.94 121.90 3kx5 s ASN 70 Ca 0.72 0.30 -0.26 0.00 0.42 0.00 0.00 52.86 54.04 3kx5 s ASN 70 Cb -0.57 -1.81 0.04 0.00 -1.45 0.00 0.00 41.25 37.45 3kx5 s ASN 70 CO 0.41 0.35 1.19 -0.76 -3.72 0.00 0.00 177.10 174.57 3kx5 s LEU 71 N -1.27 3.49 1.06 3.21 1.43 -1.26 -4.55 118.68 120.78 3kx5 s LEU 71 Ca 0.18 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 3kx5 s LEU 71 Cb -0.12 -2.58 0.22 0.00 0.03 0.00 0.00 46.19 43.74 3kx5 s LEU 71 CO 0.08 -1.71 1.07 -0.94 0.23 0.00 0.00 176.35 175.08 3kx5 s SER 72 N 3.64 1.92 0.29 2.29 1.04 -1.26 -4.66 113.70 116.95 3kx5 s SER 72 Ca 0.32 1.60 0.02 0.00 0.48 0.00 0.00 55.95 58.38 3kx5 s SER 72 Cb -0.10 -2.28 0.60 0.00 0.10 0.00 0.00 66.02 64.34 3kx5 s SER 72 CO 0.15 -3.63 1.81 -0.61 0.98 0.00 0.00 173.24 171.94 3kx5 h GLN 73 N -2.23 0.88 -0.34 4.02 5.75 -1.99 0.06 115.11 121.25 3kx5 h GLN 73 Ca -0.55 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.88 3kx5 h GLN 73 Cb 1.31 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3kx5 h GLN 73 CO 0.50 0.58 0.17 0.00 -2.65 0.00 0.00 178.83 177.44 3kx5 h ALA 74 N 1.57 0.44 -0.36 3.38 0.00 -1.92 -1.88 119.26 120.49 3kx5 h ALA 74 Ca 0.52 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 3kx5 h ALA 74 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kx5 h ALA 74 CO -0.31 -0.01 -0.17 -0.07 0.00 0.00 0.00 179.25 178.69 3kx5 h LEU 75 N 0.42 0.66 -1.02 0.00 3.38 -1.61 -1.20 115.31 115.94 3kx5 h LEU 75 Ca 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kx5 h LEU 75 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3kx5 h LEU 75 CO -0.02 0.84 0.45 0.11 0.09 0.00 0.00 178.44 179.92 3kx5 h LYS 76 N 0.59 1.14 -0.18 1.13 1.57 -0.77 -0.71 116.57 119.34 3kx5 h LYS 76 Ca 0.10 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3kx5 h LYS 76 Cb 0.63 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3kx5 h LYS 76 CO 0.04 0.83 -0.55 0.74 -0.57 0.00 0.00 179.45 179.94 3kx5 h PHE 77 N 1.15 0.69 -0.03 -1.35 0.04 -0.89 -2.97 116.94 113.58 3kx5 h PHE 77 Ca 0.29 -0.25 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 3kx5 h PHE 77 Cb 0.02 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3kx5 h PHE 77 CO 0.01 0.98 -0.38 0.28 -0.60 0.00 0.00 178.31 178.59 3kx5 h VAL 78 N 0.42 1.28 -0.07 -0.55 2.07 -0.90 -2.75 116.25 115.75 3kx5 h VAL 78 Ca 0.01 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.20 3kx5 h VAL 78 Cb 1.10 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3kx5 h VAL 78 CO 0.10 0.39 0.12 -0.09 0.02 0.00 0.00 177.57 178.12 3kx5 h ARG 79 N 0.05 0.00 0.00 1.57 2.43 -0.96 -0.08 114.38 117.38 3kx5 h ARG 79 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kx5 h ARG 79 Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3kx5 h ARG 79 CO 0.05 0.00 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.07 3kx5 h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.58 -0.14 116.42 114.22 3kx5 h ASP 80 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kx5 h ASP 80 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kx5 h ASP 80 CO -0.00 0.00 -0.39 2.22 -1.72 0.00 0.00 179.24 179.35 3kx5 n PHE 81 N -3.11 0.00 1.04 4.55 -1.74 -0.45 -4.74 117.46 113.01 3kx5 n PHE 81 Ca -0.03 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.97 3kx5 n PHE 81 Cb 0.09 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.14 3kx5 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kx5 n ALA 82 N -0.92 3.89 -0.70 1.98 0.00 -0.17 -4.92 120.51 119.67 3kx5 n ALA 82 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3kx5 n ALA 82 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3kx5 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx5 n GLY 83 N 1.44 2.20 2.03 0.00 0.00 -0.07 -2.00 105.19 108.79 3kx5 n GLY 83 Ca 0.07 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3kx5 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kx5 n ASP 84 N -0.53 6.65 -4.17 1.61 5.75 -1.26 -4.60 116.55 120.00 3kx5 n ASP 84 Ca 0.00 -3.30 -0.29 0.00 -0.01 0.00 0.00 54.79 51.19 3kx5 n ASP 84 Cb 0.00 -1.01 0.22 0.00 -1.03 0.00 0.00 41.12 39.30 3kx5 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kx5 s GLY 85 N -0.52 1.56 0.43 6.12 0.00 -0.85 -4.74 107.32 109.33 3kx5 s GLY 85 Ca 0.42 -0.68 0.10 0.00 0.00 0.00 0.00 44.72 44.56 3kx5 s GLY 85 CO -0.00 0.10 2.05 1.41 0.00 0.00 0.00 173.10 176.66 3kx5 h LEU 86 N -2.38 0.29 -0.21 0.66 3.38 -1.88 -2.93 115.31 112.24 3kx5 h LEU 86 Ca -0.50 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 3kx5 h LEU 86 Cb 1.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3kx5 h LEU 86 CO 0.44 0.27 -0.76 0.15 0.09 0.00 0.00 178.44 178.62 3kx5 h PHE 87 N 0.33 0.00 -0.01 1.13 3.57 -1.93 -3.33 116.94 116.70 3kx5 h PHE 87 Ca 0.09 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kx5 h PHE 87 Cb 0.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3kx5 h PHE 87 CO 0.00 0.76 -0.09 0.25 -2.23 0.00 0.00 178.31 177.00 3kx5 n THR 88 N -3.41 1.96 -4.15 4.41 -2.24 -1.12 -5.02 114.28 104.72 3kx5 n THR 88 Ca 0.00 -2.45 -0.29 0.00 -2.27 0.00 0.00 64.05 59.05 3kx5 n THR 88 Cb 0.80 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3kx5 n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kx5 s SER 89 N -2.92 4.97 0.53 3.42 0.01 -1.16 -4.80 113.70 113.74 3kx5 s SER 89 Ca 0.33 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 3kx5 s SER 89 Cb 0.30 -1.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.32 3kx5 s SER 89 CO 0.01 0.14 1.04 0.26 0.41 0.00 0.00 173.24 175.10 3kx5 s TRP 90 N -1.49 3.01 0.45 2.43 0.52 -1.26 -4.94 118.94 117.66 3kx5 s TRP 90 Ca 0.27 1.54 0.10 0.00 0.02 0.00 0.00 56.10 58.03 3kx5 s TRP 90 Cb -0.11 -3.03 1.00 0.00 -1.15 0.00 0.00 33.47 30.18 3kx5 s TRP 90 CO 0.19 -0.94 2.08 1.15 0.02 0.00 0.00 176.95 179.45 3kx5 h THR 91 N 1.05 1.05 -0.46 2.01 2.02 -1.98 -1.80 112.91 114.79 3kx5 h THR 91 Ca -0.48 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3kx5 h THR 91 Cb 1.22 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3kx5 h THR 91 CO 0.58 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.54 3kx5 n HIS 92 N -4.49 0.61 -2.40 3.16 -0.00 -1.26 -4.54 115.22 106.30 3kx5 n HIS 92 Ca 0.02 -0.31 -0.42 0.00 -0.00 0.00 0.00 57.72 57.02 3kx5 n HIS 92 Cb 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.06 3kx5 n HIS 92 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 3kx5 s GLU 93 N -1.39 4.45 0.26 -1.40 2.12 -0.68 -4.94 118.70 117.12 3kx5 s GLU 93 Ca 0.37 1.81 -0.01 0.00 0.36 0.00 0.00 54.97 57.50 3kx5 s GLU 93 Cb 0.20 -3.32 0.52 0.00 0.26 0.00 0.00 34.13 31.80 3kx5 s GLU 93 CO 0.28 -0.21 1.78 0.87 -0.54 0.00 0.00 175.26 177.43 3kx5 h LYS 94 N 6.39 0.67 0.00 4.30 1.57 -1.89 -0.08 116.57 127.53 3kx5 h LYS 94 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kx5 h LYS 94 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3kx5 h LYS 94 CO 0.80 0.44 0.00 -0.91 -0.57 0.00 0.00 179.45 179.21 3kx5 h ASN 95 N 0.69 0.00 0.36 0.86 2.35 -1.92 -2.40 115.58 115.52 3kx5 h ASN 95 Ca 0.46 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.19 3kx5 h ASN 95 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3kx5 h ASN 95 CO -0.33 0.00 -0.17 -0.25 -1.65 0.00 0.00 177.43 175.02 3kx5 h TRP 96 N 0.00 -0.45 -0.68 1.19 7.01 -1.27 -1.93 115.95 119.83 3kx5 h TRP 96 Ca 0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3kx5 h TRP 96 Cb 0.45 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 3kx5 h TRP 96 CO 0.00 -0.13 0.41 0.87 -2.79 0.00 0.00 178.44 176.80 3kx5 h LYS 97 N -0.76 0.92 0.06 2.65 1.57 -1.50 0.87 116.57 120.38 3kx5 h LYS 97 Ca -0.05 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3kx5 h LYS 97 Cb 0.51 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kx5 h LYS 97 CO 0.08 0.65 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.36 3kx5 h LYS 98 N 0.92 -0.08 -0.52 3.15 3.64 -1.50 -1.05 116.57 121.13 3kx5 h LYS 98 Ca 0.24 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3kx5 h LYS 98 Cb -0.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3kx5 h LYS 98 CO -0.05 0.15 -0.04 0.00 -2.27 0.00 0.00 179.45 177.24 3kx5 h ALA 99 N 0.62 0.94 -0.14 5.00 0.00 -1.18 -1.82 119.26 122.68 3kx5 h ALA 99 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kx5 h ALA 99 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kx5 h ALA 99 CO 0.01 0.63 0.01 1.25 0.00 0.00 0.00 179.25 181.15 3kx5 h HIS 100 N 0.84 0.01 -0.61 0.00 -0.00 -0.66 0.96 115.15 115.68 3kx5 h HIS 100 Ca 0.15 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3kx5 h HIS 100 Cb 0.55 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 3kx5 h HIS 100 CO 0.03 -0.01 0.36 -0.91 -0.00 0.00 0.00 177.93 177.41 3kx5 h ASN 101 N 0.06 0.74 -0.29 3.26 2.35 -0.93 -1.76 115.58 119.01 3kx5 h ASN 101 Ca 0.06 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 3kx5 h ASN 101 Cb 0.07 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3kx5 h ASN 101 CO -0.10 0.59 -0.34 0.40 -1.65 0.00 0.00 177.43 176.33 3kx5 h ILE 102 N 0.83 1.30 0.00 2.81 2.04 -1.06 -3.31 117.51 120.12 3kx5 h ILE 102 Ca 0.22 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3kx5 h ILE 102 Cb -0.01 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3kx5 h ILE 102 CO -0.04 0.49 -0.28 -0.07 0.00 0.00 0.00 178.15 178.25 3kx5 h LEU 103 N 0.48 0.00 -0.58 1.44 3.38 -0.70 -3.37 115.31 115.97 3kx5 h LEU 103 Ca 0.04 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.12 3kx5 h LEU 103 Cb 0.92 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 3kx5 h LEU 103 CO 0.08 0.00 -0.15 0.25 0.09 0.00 0.00 178.44 178.72 3kx5 h LEU 104 N 0.00 -0.55 -1.44 1.67 5.85 -1.41 0.61 115.31 120.03 3kx5 h LEU 104 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3kx5 h LEU 104 Cb 0.98 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3kx5 h LEU 104 CO 0.00 -0.19 0.00 1.55 -0.34 0.00 0.00 178.44 179.46 3kx5 h PRO 105 N -0.01 0.00 0.00 5.25 0.13 -1.81 -1.71 132.00 133.85 3kx5 h PRO 105 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 3kx5 h PRO 105 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 3kx5 h PRO 105 CO -0.60 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 177.60 3kx5 n SER 106 N -2.68 0.04 -0.02 1.44 7.64 0.20 -3.56 113.62 116.68 3kx5 n SER 106 Ca 0.00 0.51 0.01 0.00 1.01 0.00 0.00 58.87 60.40 3kx5 n SER 106 Cb 0.20 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.90 3kx5 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kx5 n PHE 107 N -1.54 0.00 -1.69 1.43 3.72 -0.65 -4.86 117.46 113.86 3kx5 n PHE 107 Ca 0.05 -0.50 -0.29 0.00 -0.05 0.00 0.00 57.45 56.66 3kx5 n PHE 107 Cb 0.27 -0.06 0.10 0.00 -0.94 0.00 0.00 39.48 38.86 3kx5 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kx5 s SER 108 N -1.12 4.25 0.32 4.37 1.04 -1.19 -4.59 113.70 116.77 3kx5 s SER 108 Ca 0.04 0.99 -0.00 0.00 0.48 0.00 0.00 55.95 57.46 3kx5 s SER 108 Cb 0.03 -1.60 0.51 0.00 0.10 0.00 0.00 66.02 65.06 3kx5 s SER 108 CO 0.00 -2.09 1.96 -0.61 0.98 0.00 0.00 173.24 173.48 3kx5 h GLN 109 N -1.18 0.94 -0.52 4.02 5.75 -1.94 -2.06 115.11 120.11 3kx5 h GLN 109 Ca -0.48 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 57.89 3kx5 h GLN 109 Cb 1.31 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 3kx5 h GLN 109 CO 0.63 0.66 0.12 1.96 -2.65 0.00 0.00 178.83 179.54 3kx5 h GLN 110 N 0.96 0.80 0.00 1.69 1.08 -1.92 -2.17 115.11 115.54 3kx5 h GLN 110 Ca 0.25 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3kx5 h GLN 110 Cb -0.04 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 3kx5 h GLN 110 CO -0.05 0.73 -0.12 0.00 -0.95 0.00 0.00 178.83 178.45 3kx5 h ALA 111 N 1.36 1.76 0.00 3.87 0.00 -1.60 -2.27 119.26 122.38 3kx5 h ALA 111 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kx5 h ALA 111 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kx5 h ALA 111 CO -0.00 0.15 -0.10 0.52 0.00 0.00 0.00 179.25 179.82 3kx5 h MET 112 N 0.00 0.00 -0.25 0.00 2.86 -1.06 -0.83 114.93 115.65 3kx5 h MET 112 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3kx5 h MET 112 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3kx5 h MET 112 CO 0.02 0.10 -0.10 0.87 1.06 0.00 0.00 176.91 178.85 3kx5 h LYS 113 N 0.00 0.40 0.07 1.72 1.57 -1.47 -1.35 116.57 117.50 3kx5 h LYS 113 Ca -0.00 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 3kx5 h LYS 113 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kx5 h LYS 113 CO 0.01 0.51 -1.11 0.78 -0.57 0.00 0.00 179.45 179.07 3kx5 h GLY 114 N 0.85 0.18 2.00 3.86 0.00 -1.30 -3.28 103.07 105.38 3kx5 h GLY 114 Ca 0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3kx5 h GLY 114 CO 0.02 0.39 -0.09 -0.97 0.00 0.00 0.00 176.54 175.89 3kx5 h TYR 115 N 0.05 0.00 -0.63 5.60 0.05 -1.14 -3.38 116.97 117.52 3kx5 h TYR 115 Ca -0.08 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.83 3kx5 h TYR 115 Cb 1.85 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.50 3kx5 h TYR 115 CO 0.04 0.09 0.13 1.25 -1.05 0.00 0.00 178.16 178.61 3kx5 h HIS 116 N 0.00 0.20 -0.72 4.88 2.76 -1.31 -1.71 115.15 119.26 3kx5 h HIS 116 Ca -0.00 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3kx5 h HIS 116 Cb 0.95 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.86 3kx5 h HIS 116 CO 0.00 -0.05 0.42 0.00 -1.30 0.00 0.00 177.93 177.01 3kx5 h ALA 117 N 1.51 0.96 -0.58 5.26 0.00 -1.81 0.63 119.26 125.22 3kx5 h ALA 117 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3kx5 h ALA 117 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kx5 h ALA 117 CO -0.43 0.14 0.08 0.52 0.00 0.00 0.00 179.25 179.56 3kx5 h MET 118 N 0.79 0.97 -0.66 0.00 2.07 -1.61 -0.94 114.93 115.55 3kx5 h MET 118 Ca 0.31 -0.27 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 3kx5 h MET 118 Cb 0.14 -0.11 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 3kx5 h MET 118 CO -0.16 0.93 0.20 0.52 1.07 0.00 0.00 176.91 179.47 3kx5 h MET 119 N 0.87 1.01 -0.43 1.72 2.86 -0.65 -2.69 114.93 117.63 3kx5 h MET 119 Ca 0.17 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3kx5 h MET 119 Cb 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3kx5 h MET 119 CO 0.01 0.87 -0.21 0.28 1.06 0.00 0.00 176.91 178.92 3kx5 h VAL 120 N 0.97 1.27 -0.09 -2.22 2.07 -0.64 -1.75 116.25 115.86 3kx5 h VAL 120 Ca 0.22 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.44 3kx5 h VAL 120 Cb 0.28 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3kx5 h VAL 120 CO -0.01 0.45 -0.34 -0.78 0.02 0.00 0.00 177.57 176.92 3kx5 h ASP 121 N 0.74 -1.04 -0.10 0.57 1.82 -0.85 0.12 116.42 117.68 3kx5 h ASP 121 Ca 0.10 0.14 -0.16 0.00 -0.39 0.00 0.00 57.03 56.73 3kx5 h ASP 121 Cb 0.74 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 41.17 3kx5 h ASP 121 CO 0.06 -0.38 -0.49 0.40 -1.61 0.00 0.00 179.24 177.22 3kx5 h ILE 122 N -0.44 1.30 -0.70 2.25 1.08 -1.45 -2.65 117.51 116.91 3kx5 h ILE 122 Ca 0.08 -1.69 0.02 0.00 -0.39 0.00 0.00 64.86 62.88 3kx5 h ILE 122 Cb 0.56 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 3kx5 h ILE 122 CO -0.33 0.54 0.45 0.00 -0.69 0.00 0.00 178.15 178.11 3kx5 h ALA 123 N 0.93 0.90 -0.96 1.87 0.00 -0.96 -1.37 119.26 119.67 3kx5 h ALA 123 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kx5 h ALA 123 Cb 1.04 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3kx5 h ALA 123 CO 0.10 0.26 0.63 0.28 0.00 0.00 0.00 179.25 180.52 3kx5 h VAL 124 N 0.90 1.21 -0.79 0.00 2.07 -0.66 -0.78 116.25 118.20 3kx5 h VAL 124 Ca 0.27 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3kx5 h VAL 124 Cb -0.05 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.52 3kx5 h VAL 124 CO -0.08 0.23 0.43 1.56 0.02 0.00 0.00 177.57 179.73 3kx5 h GLN 125 N 1.26 1.11 -0.29 1.57 4.20 -0.97 -0.67 115.11 121.33 3kx5 h GLN 125 Ca 0.36 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3kx5 h GLN 125 Cb -0.09 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 3kx5 h GLN 125 CO -0.10 0.83 0.08 1.25 -0.67 0.00 0.00 178.83 180.22 3kx5 h LEU 126 N 1.10 0.43 -0.54 1.46 5.85 -0.61 -1.26 115.31 121.75 3kx5 h LEU 126 Ca 0.28 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kx5 h LEU 126 Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kx5 h LEU 126 CO -0.04 0.53 0.22 0.58 -0.34 0.00 0.00 178.44 179.39 3kx5 h VAL 127 N 0.30 1.21 -0.44 1.05 2.07 -0.88 -2.27 116.25 117.30 3kx5 h VAL 127 Ca 0.09 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3kx5 h VAL 127 Cb 0.26 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3kx5 h VAL 127 CO -0.00 0.25 0.07 1.56 0.02 0.00 0.00 177.57 179.47 3kx5 h GLN 128 N 0.73 0.68 -0.38 1.57 1.08 -1.06 -0.15 115.11 117.58 3kx5 h GLN 128 Ca 0.18 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3kx5 h GLN 128 Cb 0.18 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3kx5 h GLN 128 CO -0.02 0.65 0.20 -0.22 -0.95 0.00 0.00 178.83 178.49 3kx5 h LYS 129 N 0.66 0.39 -0.01 1.46 3.64 -0.76 -1.96 116.57 119.99 3kx5 h LYS 129 Ca 0.14 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 3kx5 h LYS 129 Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3kx5 h LYS 129 CO 0.00 0.26 -0.67 -1.49 -2.27 0.00 0.00 179.45 175.28 3kx5 h TRP 130 N 0.40 0.04 0.00 1.91 6.55 -0.87 -2.47 115.95 121.52 3kx5 h TRP 130 Ca 0.16 -0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.95 3kx5 h TRP 130 Cb 0.06 -0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.34 3kx5 h TRP 130 CO -0.09 0.69 -0.16 0.93 -1.05 0.00 0.00 178.44 178.75 3kx5 h GLU 131 N 0.02 0.00 -0.23 0.49 4.39 -0.76 -3.08 114.58 115.42 3kx5 h GLU 131 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kx5 h GLU 131 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3kx5 h GLU 131 CO 0.09 0.16 0.00 0.54 -1.16 0.00 0.00 179.01 178.64 3kx5 n ARG 132 N -3.85 2.22 -2.49 2.33 1.74 -0.76 -4.93 116.66 110.92 3kx5 n ARG 132 Ca -0.02 -1.82 -0.37 0.00 -0.77 0.00 0.00 57.85 54.88 3kx5 n ARG 132 Cb 0.26 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3kx5 n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kx5 s LEU 133 N -1.66 4.11 0.83 0.55 1.43 -1.17 -5.04 118.68 117.74 3kx5 s LEU 133 Ca 0.35 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 3kx5 s LEU 133 Cb 0.21 -4.20 0.10 0.00 0.03 0.00 0.00 46.19 42.32 3kx5 s LEU 133 CO 0.30 -0.58 1.18 0.20 0.23 0.00 0.00 176.35 177.68 3kx5 s ASN 134 N -1.53 4.26 0.51 2.29 0.01 -1.26 -4.99 114.94 114.24 3kx5 s ASN 134 Ca 0.59 0.78 -0.23 0.00 -0.71 0.00 0.00 52.86 53.30 3kx5 s ASN 134 Cb -0.23 -1.27 -0.06 0.00 0.41 0.00 0.00 41.25 40.10 3kx5 s ASN 134 CO 0.29 -2.06 1.37 0.00 -1.51 0.00 0.00 177.10 175.19 3kx5 n ALA 135 N -3.42 1.68 0.00 0.60 0.00 -1.26 -2.49 120.51 115.63 3kx5 n ALA 135 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3kx5 n ALA 135 Cb 0.61 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3kx5 n ALA 135 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kx5 n ASP 136 N -0.69 0.00 -4.68 0.00 5.68 -1.26 -4.97 116.55 110.62 3kx5 n ASP 136 Ca 0.09 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.03 3kx5 n ASP 136 Cb 0.43 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.52 3kx5 n ASP 136 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3kx5 n GLU 137 N 0.00 0.46 -4.61 0.11 1.02 -1.04 -5.02 120.64 111.56 3kx5 n GLU 137 Ca 0.00 0.23 -0.28 0.00 -0.02 0.00 0.00 57.16 57.09 3kx5 n GLU 137 Cb 0.00 -2.42 -0.09 0.00 -0.02 0.00 0.00 31.44 28.91 3kx5 n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3kx5 s HIS 138 N -1.89 2.09 -0.13 -0.32 -3.43 -1.26 -4.77 115.29 105.58 3kx5 s HIS 138 Ca 0.76 -0.92 -0.02 0.00 -0.80 0.00 0.00 55.06 54.08 3kx5 s HIS 138 Cb -0.32 -1.53 -0.03 0.00 -1.43 0.00 0.00 32.58 29.28 3kx5 s HIS 138 CO 0.48 0.17 -0.05 0.42 -2.00 0.00 0.00 174.74 173.76 3kx5 s ILE 139 N -2.96 3.78 -0.55 -5.38 1.01 0.41 -4.98 121.20 112.53 3kx5 s ILE 139 Ca 0.24 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 3kx5 s ILE 139 Cb 0.06 -2.62 0.06 0.00 0.01 0.00 0.00 42.46 39.97 3kx5 s ILE 139 CO 0.12 0.53 0.76 -1.61 0.00 0.00 0.00 174.94 174.75 3kx5 s GLU 140 N -0.03 3.17 -0.01 2.79 2.02 -1.26 -2.24 118.70 123.14 3kx5 s GLU 140 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 54.02 3kx5 s GLU 140 Cb -0.13 -4.12 -0.14 0.00 0.10 0.00 0.00 34.13 29.84 3kx5 s GLU 140 CO 0.03 -1.40 0.99 0.28 0.02 0.00 0.00 175.26 175.17 3kx5 h VAL 141 N 5.93 0.25 -0.58 2.63 2.07 -1.68 -2.04 116.25 122.83 3kx5 h VAL 141 Ca -0.27 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3kx5 h VAL 141 Cb 1.09 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3kx5 h VAL 141 CO 1.04 0.05 0.38 -0.65 0.02 0.00 0.00 177.57 178.41 3kx5 h PRO 142 N -1.06 0.71 -0.30 1.57 0.11 -1.85 -0.09 132.00 131.09 3kx5 h PRO 142 Ca -0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3kx5 h PRO 142 Cb 0.57 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3kx5 h PRO 142 CO 0.11 0.47 0.13 0.93 -0.21 0.00 0.00 178.00 179.43 3kx5 h GLU 143 N 0.73 0.44 -0.21 1.05 3.07 -1.90 -1.14 114.58 116.62 3kx5 h GLU 143 Ca 0.22 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 3kx5 h GLU 143 Cb -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3kx5 h GLU 143 CO -0.05 0.43 -0.47 -0.44 -1.40 0.00 0.00 179.01 177.07 3kx5 h ASP 144 N 0.34 0.60 -0.55 1.42 3.32 -0.90 -2.15 116.42 118.51 3kx5 h ASP 144 Ca 0.10 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3kx5 h ASP 144 Cb 0.15 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3kx5 h ASP 144 CO -0.01 0.98 0.18 0.24 -1.72 0.00 0.00 179.24 178.91 3kx5 h MET 145 N 0.44 0.90 -0.28 3.56 2.86 -0.87 -1.25 114.93 120.29 3kx5 h MET 145 Ca 0.02 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.33 3kx5 h MET 145 Cb 0.99 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 3kx5 h MET 145 CO 0.09 0.78 -0.48 1.15 1.06 0.00 0.00 176.91 179.51 3kx5 h THR 146 N 0.87 1.29 -0.68 2.22 2.02 -1.14 0.02 112.91 117.52 3kx5 h THR 146 Ca 0.19 -1.68 0.06 0.00 0.77 0.00 0.00 66.41 65.76 3kx5 h THR 146 Cb 0.26 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3kx5 h THR 146 CO -0.01 0.54 0.39 0.03 0.37 0.00 0.00 175.52 176.84 3kx5 h ARG 147 N 0.60 0.69 -0.12 6.66 3.08 -1.12 -1.41 114.38 122.77 3kx5 h ARG 147 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kx5 h ARG 147 Cb 1.05 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3kx5 h ARG 147 CO 0.10 0.46 0.02 1.25 -1.07 0.00 0.00 179.97 180.73 3kx5 h LEU 148 N 0.71 0.19 -0.35 3.04 6.46 -0.91 -2.15 115.31 122.30 3kx5 h LEU 148 Ca 0.30 -0.27 -0.18 0.00 -0.12 0.00 0.00 57.88 57.61 3kx5 h LEU 148 Cb 0.17 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3kx5 h LEU 148 CO -0.18 0.41 -0.51 0.71 -0.62 0.00 0.00 178.44 178.25 3kx5 h THR 149 N -0.04 1.28 -0.26 1.05 1.35 -0.87 -1.04 112.91 114.37 3kx5 h THR 149 Ca 0.03 -1.70 0.01 0.00 -0.55 0.00 0.00 66.41 64.21 3kx5 h THR 149 Cb 0.30 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 3kx5 h THR 149 CO 0.00 0.55 0.15 -0.07 -0.25 0.00 0.00 175.52 175.90 3kx5 h LEU 150 N 0.67 0.23 -1.09 3.87 3.38 -1.31 -1.50 115.31 119.55 3kx5 h LEU 150 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kx5 h LEU 150 Cb 1.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3kx5 h LEU 150 CO 0.11 0.17 -0.10 0.44 0.09 0.00 0.00 178.44 179.15 3kx5 h ASP 151 N 0.30 0.50 -0.25 -0.43 5.19 -1.29 -0.95 116.42 119.49 3kx5 h ASP 151 Ca 0.10 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.32 3kx5 h ASP 151 Cb 0.01 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3kx5 h ASP 151 CO -0.06 0.64 -0.12 0.74 -3.12 0.00 0.00 179.24 177.32 3kx5 h THR 152 N 0.48 1.30 -0.17 0.35 2.02 -0.97 -2.54 112.91 113.38 3kx5 h THR 152 Ca 0.09 -1.21 -0.12 0.00 0.77 0.00 0.00 66.41 65.95 3kx5 h THR 152 Cb 0.47 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3kx5 h THR 152 CO 0.03 0.38 -0.40 0.40 0.37 0.00 0.00 175.52 176.30 3kx5 h ILE 153 N 0.26 1.30 -0.53 3.11 2.04 -1.17 -1.15 117.51 121.38 3kx5 h ILE 153 Ca 0.06 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.45 3kx5 h ILE 153 Cb 0.63 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3kx5 h ILE 153 CO 0.04 0.47 0.23 1.23 0.00 0.00 0.00 178.15 180.12 3kx5 h GLY 154 N 1.14 0.74 0.60 5.37 0.00 -1.05 0.31 103.07 110.19 3kx5 h GLY 154 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kx5 h GLY 154 CO 0.07 0.05 -0.09 1.41 0.00 0.00 0.00 176.54 177.98 3kx5 h LEU 155 N 0.44 0.20 -1.13 3.11 3.38 -1.14 -1.97 115.31 118.20 3kx5 h LEU 155 Ca 0.25 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3kx5 h LEU 155 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kx5 h LEU 155 CO -0.22 0.68 -0.20 0.00 0.09 0.00 0.00 178.44 178.80 3kx5 h GLY 157 N 2.10 0.01 -2.18 0.00 0.00 -0.43 -0.94 103.07 101.64 3kx5 h GLY 157 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3kx5 h GLY 157 CO 0.03 0.03 -0.60 1.97 0.00 0.00 0.00 176.54 177.97 3kx5 n PHE 158 N -4.53 0.00 -4.09 5.60 -1.74 -0.78 -1.56 117.46 110.36 3kx5 n PHE 158 Ca -0.17 -0.38 -0.31 0.00 -0.56 0.00 0.00 57.45 56.03 3kx5 n PHE 158 Cb 0.56 0.13 -0.02 0.00 1.52 0.00 0.00 39.48 41.67 3kx5 n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 3kx5 n ASN 159 N 0.21 -1.85 -4.33 5.98 5.15 -0.63 -4.94 115.26 114.85 3kx5 n ASN 159 Ca -0.07 -1.01 -0.32 0.00 -0.60 0.00 0.00 54.58 52.58 3kx5 n ASN 159 Cb 0.86 -2.90 -0.15 0.00 -0.53 0.00 0.00 39.78 37.06 3kx5 n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3kx5 s TYR 160 N -3.64 2.58 -0.41 1.20 5.04 -0.97 -4.93 117.35 116.22 3kx5 s TYR 160 Ca 0.37 -0.62 -0.15 0.00 -2.44 0.00 0.00 57.07 54.23 3kx5 s TYR 160 Cb -0.20 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.46 3kx5 s TYR 160 CO 0.91 -0.15 0.32 1.03 -1.34 0.00 0.00 175.55 176.31 3kx5 s ARG 161 N -0.13 2.98 0.49 4.97 0.52 -1.26 -3.35 118.95 123.18 3kx5 s ARG 161 Ca -0.03 -1.00 0.28 0.00 -0.52 0.00 0.00 55.73 54.46 3kx5 s ARG 161 Cb -0.14 -3.98 0.88 0.00 0.52 0.00 0.00 34.95 32.22 3kx5 s ARG 161 CO 0.04 -0.77 1.80 0.74 0.02 0.00 0.00 175.30 177.14 3kx5 h PHE 162 N 8.64 0.00 -6.31 -0.53 0.04 -1.93 -3.47 116.94 113.38 3kx5 h PHE 162 Ca -0.27 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.04 3kx5 h PHE 162 Cb 1.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 3kx5 h PHE 162 CO 0.56 0.02 -0.86 0.09 -0.60 0.00 0.00 178.31 177.52 3kx5 n ASN 163 N -3.11 -0.67 0.23 2.17 3.02 -1.26 -4.56 115.26 111.07 3kx5 n ASN 163 Ca 0.02 -0.92 0.07 0.00 -0.03 0.00 0.00 54.58 53.72 3kx5 n ASN 163 Cb 0.42 -3.50 0.54 0.00 -0.61 0.00 0.00 39.78 36.63 3kx5 n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kx5 h SER 164 N -1.85 0.00 -0.10 6.41 0.02 -1.92 -2.27 113.55 113.84 3kx5 h SER 164 Ca -0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3kx5 h SER 164 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3kx5 h SER 164 CO 0.60 0.21 0.00 0.49 -1.14 0.00 0.00 176.83 176.99 3kx5 n PHE 165 N -3.99 0.13 0.10 3.45 3.72 -1.26 -2.90 117.46 116.71 3kx5 n PHE 165 Ca -0.02 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.40 3kx5 n PHE 165 Cb 0.29 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.99 3kx5 n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kx5 n TYR 166 N -0.22 0.41 -4.11 1.38 4.01 -0.85 -5.04 117.16 112.75 3kx5 n TYR 166 Ca 0.12 -0.31 -0.15 0.00 -0.16 0.00 0.00 57.90 57.40 3kx5 n TYR 166 Cb 0.17 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.07 3kx5 n TYR 166 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3kx5 s ARG 167 N -1.13 0.65 -0.18 -0.72 0.52 -1.14 -5.02 118.95 111.93 3kx5 s ARG 167 Ca 0.28 -0.86 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 3kx5 s ARG 167 Cb 0.16 -0.49 -0.22 0.00 0.52 0.00 0.00 34.95 34.92 3kx5 s ARG 167 CO 0.22 0.10 0.26 -0.25 0.02 0.00 0.00 175.30 175.65 3kx5 n ASP 168 N 1.33 1.96 -4.65 0.23 8.00 -1.26 -4.86 116.55 117.30 3kx5 n ASP 168 Ca -0.22 0.34 -0.37 0.00 0.71 0.00 0.00 54.79 55.25 3kx5 n ASP 168 Cb 0.55 -0.93 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 3kx5 n ASP 168 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kx5 s GLN 169 N -2.44 4.07 0.93 -1.24 1.11 -1.26 -5.08 119.66 115.75 3kx5 s GLN 169 Ca -0.27 -0.12 -0.10 0.00 0.01 0.00 0.00 55.36 54.88 3kx5 s GLN 169 Cb 0.06 -3.57 0.14 0.00 -1.01 0.00 0.00 33.01 28.63 3kx5 s GLN 169 CO 0.66 -0.04 1.07 -2.30 0.01 0.00 0.00 175.29 174.68 3kx5 n PRO 170 N 4.57 -0.47 -1.57 2.91 -0.02 -1.26 -4.91 135.00 134.25 3kx5 n PRO 170 Ca -0.12 -0.07 -0.46 0.00 -2.02 0.00 0.00 63.50 60.83 3kx5 n PRO 170 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3kx5 n PRO 170 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kx5 n HIS 171 N -4.20 1.09 -0.27 6.00 -0.00 -1.26 -4.70 115.22 111.87 3kx5 n HIS 171 Ca 0.11 0.73 0.21 0.00 -0.00 0.00 0.00 57.72 58.77 3kx5 n HIS 171 Cb 0.52 -2.22 0.52 0.00 -0.00 0.00 0.00 29.99 28.80 3kx5 n HIS 171 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kx5 h PRO 172 N 2.16 0.38 -0.53 1.57 0.11 -1.97 -0.46 132.00 133.26 3kx5 h PRO 172 Ca -0.39 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3kx5 h PRO 172 Cb 1.35 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3kx5 h PRO 172 CO 0.62 0.25 0.34 0.35 -0.21 0.00 0.00 178.00 179.36 3kx5 h PHE 173 N 0.39 0.65 -0.26 0.65 3.04 -1.91 -1.00 116.94 118.50 3kx5 h PHE 173 Ca 0.51 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.45 3kx5 h PHE 173 Cb 1.30 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 3kx5 h PHE 173 CO -0.00 0.40 0.07 0.82 -2.02 0.00 0.00 178.31 177.57 3kx5 h ILE 174 N 0.70 1.21 -0.69 1.41 2.04 -1.44 -0.06 117.51 120.68 3kx5 h ILE 174 Ca 0.20 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3kx5 h ILE 174 Cb -0.06 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 3kx5 h ILE 174 CO -0.05 0.22 0.34 0.74 0.00 0.00 0.00 178.15 179.40 3kx5 h THR 175 N 0.25 0.87 -0.41 -0.27 2.02 -1.26 0.16 112.91 114.27 3kx5 h THR 175 Ca 0.08 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 3kx5 h THR 175 Cb 0.28 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3kx5 h THR 175 CO 0.00 0.11 -0.10 0.28 0.37 0.00 0.00 175.52 176.18 3kx5 h SER 176 N 0.59 0.79 -0.19 4.18 0.02 -0.99 -1.62 113.55 116.33 3kx5 h SER 176 Ca 0.33 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3kx5 h SER 176 Cb 0.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3kx5 h SER 176 CO -0.25 0.97 0.08 -0.03 -1.14 0.00 0.00 176.83 176.46 3kx5 h MET 177 N 0.60 0.29 -0.83 3.45 -1.53 -0.47 -0.01 114.93 116.43 3kx5 h MET 177 Ca 0.10 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 3kx5 h MET 177 Cb 0.63 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.59 3kx5 h MET 177 CO 0.04 0.35 0.52 0.28 0.14 0.00 0.00 176.91 178.24 3kx5 h VAL 178 N 0.16 1.22 -0.25 -5.77 2.07 -0.94 -1.41 116.25 111.33 3kx5 h VAL 178 Ca 0.06 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 3kx5 h VAL 178 Cb 0.17 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3kx5 h VAL 178 CO -0.01 0.22 -0.30 -0.09 0.02 0.00 0.00 177.57 177.42 3kx5 h ARG 179 N 1.13 0.50 -0.42 1.57 2.43 -1.06 -1.35 114.38 117.18 3kx5 h ARG 179 Ca 0.30 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 3kx5 h ARG 179 Cb -0.09 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3kx5 h ARG 179 CO -0.06 0.75 -0.33 0.00 -1.51 0.00 0.00 179.97 178.82 3kx5 h ALA 180 N 1.24 0.62 -0.60 2.80 0.00 -0.62 -1.35 119.26 121.36 3kx5 h ALA 180 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3kx5 h ALA 180 Cb 0.74 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3kx5 h ALA 180 CO 0.06 0.68 0.11 -0.07 0.00 0.00 0.00 179.25 180.03 3kx5 h LEU 181 N 0.79 0.91 -0.27 0.00 3.38 -1.15 -0.85 115.31 118.13 3kx5 h LEU 181 Ca 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kx5 h LEU 181 Cb 0.92 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3kx5 h LEU 181 CO 0.09 0.90 0.14 -0.78 0.09 0.00 0.00 178.44 178.88 3kx5 h ASP 182 N 0.91 0.21 -0.61 -0.43 1.82 -1.07 -1.93 116.42 115.32 3kx5 h ASP 182 Ca 0.19 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 3kx5 h ASP 182 Cb 0.37 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 3kx5 h ASP 182 CO 0.01 0.16 0.17 -0.08 -1.61 0.00 0.00 179.24 177.88 3kx5 h GLU 183 N 0.29 0.97 -0.68 0.28 4.57 -0.88 -0.61 114.58 118.51 3kx5 h GLU 183 Ca 0.11 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3kx5 h GLU 183 Cb 0.02 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3kx5 h GLU 183 CO -0.07 0.88 0.40 0.00 -1.18 0.00 0.00 179.01 179.04 3kx5 h ALA 184 N 1.05 0.90 -0.16 2.92 0.00 -0.99 -0.93 119.26 122.06 3kx5 h ALA 184 Ca 0.19 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3kx5 h ALA 184 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kx5 h ALA 184 CO -0.00 0.13 -0.63 0.52 0.00 0.00 0.00 179.25 179.27 3kx5 h MET 185 N 0.77 0.57 -0.26 0.00 2.86 -1.02 -3.10 114.93 114.76 3kx5 h MET 185 Ca 0.29 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3kx5 h MET 185 Cb 0.10 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3kx5 h MET 185 CO -0.14 1.02 -0.05 -0.91 1.06 0.00 0.00 176.91 177.89 3kx5 h ASN 186 N 0.42 0.38 0.07 1.22 2.35 -0.74 -2.64 115.58 116.64 3kx5 h ASN 186 Ca -0.01 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kx5 h ASN 186 Cb 1.19 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3kx5 h ASN 186 CO 0.12 0.48 -0.01 0.11 -1.65 0.00 0.00 177.43 176.48 3kx5 h LYS 187 N 0.39 0.00 0.00 0.81 1.57 -1.09 -2.54 116.57 115.70 3kx5 h LYS 187 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3kx5 h LYS 187 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kx5 h LYS 187 CO 0.01 0.01 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.69 3kx5 h LEU 188 N 0.00 0.00 -1.89 2.94 3.38 -1.57 -2.69 115.31 115.48 3kx5 h LEU 188 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kx5 h LEU 188 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kx5 h LEU 188 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 3kx5 n GLN 189 N -3.96 2.25 -3.16 1.13 6.02 -0.96 -4.91 117.38 113.80 3kx5 n GLN 189 Ca -0.02 -1.87 -0.43 0.00 -0.01 0.00 0.00 57.00 54.67 3kx5 n GLN 189 Cb 0.23 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 3kx5 n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kx5 s ARG 190 N -1.69 3.31 0.33 -1.09 0.52 -1.01 -4.91 118.95 114.39 3kx5 s ARG 190 Ca 0.35 -0.39 0.16 0.00 -0.52 0.00 0.00 55.73 55.33 3kx5 s ARG 190 Cb 0.21 -3.93 0.48 0.00 0.52 0.00 0.00 34.95 32.23 3kx5 s ARG 190 CO 0.30 -0.93 1.64 0.00 0.02 0.00 0.00 175.30 176.34 3kx5 h ALA 191 N 8.78 0.90 -2.57 2.13 0.00 -1.90 -3.37 119.26 123.23 3kx5 h ALA 191 Ca -0.26 -0.43 -0.60 0.00 0.00 0.00 0.00 54.91 53.62 3kx5 h ALA 191 Cb 1.10 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 3kx5 h ALA 191 CO 0.86 0.60 -0.76 0.09 0.00 0.00 0.00 179.25 180.04 3kx5 n ASN 192 N -3.53 1.82 -0.02 0.00 4.13 -1.26 -4.98 115.26 111.43 3kx5 n ASN 192 Ca -0.00 -2.96 0.15 0.00 1.68 0.00 0.00 54.58 53.45 3kx5 n ASN 192 Cb 0.59 -0.67 0.59 0.00 -1.54 0.00 0.00 39.78 38.75 3kx5 n ASN 192 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3kx5 h PRO 193 N 5.03 0.20 -0.45 3.52 0.11 -1.97 -2.32 132.00 136.11 3kx5 h PRO 193 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kx5 h PRO 193 Cb 0.79 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3kx5 h PRO 193 CO 0.61 0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3kx5 n ASP 194 N -4.44 3.59 -4.69 -2.05 8.00 -1.26 -4.81 116.55 110.89 3kx5 n ASP 194 Ca 0.09 -2.00 -0.44 0.00 0.71 0.00 0.00 54.79 53.15 3kx5 n ASP 194 Cb 0.45 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 3kx5 n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kx5 n ASP 195 N 1.55 2.94 0.31 -2.24 -0.08 -0.88 -4.84 116.55 113.32 3kx5 n ASP 195 Ca 0.20 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.79 3kx5 n ASP 195 Cb 0.62 -1.47 0.74 0.00 2.34 0.00 0.00 41.12 43.34 3kx5 n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kx5 h PRO 196 N 3.78 0.00 0.00 -0.67 0.11 -1.92 -0.82 132.00 132.48 3kx5 h PRO 196 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kx5 h PRO 196 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kx5 h PRO 196 CO 0.72 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 3kx5 n ALA 197 N -1.84 1.41 -0.34 -0.75 0.00 -1.26 -1.86 120.51 115.88 3kx5 n ALA 197 Ca -0.02 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3kx5 n ALA 197 Cb 0.39 -1.23 0.15 0.00 0.00 0.00 0.00 19.45 18.75 3kx5 n ALA 197 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kx5 n TYR 198 N -1.81 0.46 -0.35 0.00 4.02 -0.31 -4.63 117.16 114.55 3kx5 n TYR 198 Ca 0.02 -0.59 -0.03 0.00 -0.01 0.00 0.00 57.90 57.28 3kx5 n TYR 198 Cb 0.13 -0.09 0.09 0.00 -0.02 0.00 0.00 39.34 39.45 3kx5 n TYR 198 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3kx5 h ASP 199 N 1.59 1.14 -0.24 7.72 3.32 -1.51 -0.78 116.42 127.65 3kx5 h ASP 199 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3kx5 h ASP 199 Cb 0.84 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3kx5 h ASP 199 CO 0.04 0.89 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.18 3kx5 h GLU 200 N 1.29 0.55 -0.79 3.56 4.57 -1.82 -1.30 114.58 120.65 3kx5 h GLU 200 Ca 0.33 -0.27 0.14 0.00 -1.18 0.00 0.00 59.36 58.37 3kx5 h GLU 200 Cb -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.48 3kx5 h GLU 200 CO -0.06 0.85 0.36 -0.91 -1.18 0.00 0.00 179.01 178.07 3kx5 h ASN 201 N 0.26 0.39 -0.64 1.04 4.21 -1.81 -0.28 115.58 118.76 3kx5 h ASN 201 Ca 0.04 0.10 -0.09 0.00 1.21 0.00 0.00 56.30 57.56 3kx5 h ASN 201 Cb 0.73 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.95 3kx5 h ASN 201 CO 0.05 0.16 0.04 0.11 -1.29 0.00 0.00 177.43 176.50 3kx5 h LYS 202 N 0.53 1.10 -0.16 0.81 1.57 -0.88 -0.70 116.57 118.83 3kx5 h LYS 202 Ca 0.43 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3kx5 h LYS 202 Cb 0.61 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kx5 h LYS 202 CO -0.37 1.04 0.05 -0.09 -0.57 0.00 0.00 179.45 179.50 3kx5 h ARG 203 N 1.01 0.25 -0.87 3.15 2.43 -0.38 -2.24 114.38 117.73 3kx5 h ARG 203 Ca 0.19 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3kx5 h ARG 203 Cb 0.52 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 3kx5 h ARG 203 CO 0.02 0.38 0.43 0.37 -1.51 0.00 0.00 179.97 179.67 3kx5 h GLN 204 N 0.07 1.24 -0.18 0.20 5.75 -0.96 -1.87 115.11 119.37 3kx5 h GLN 204 Ca 0.05 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3kx5 h GLN 204 Cb 0.24 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3kx5 h GLN 204 CO -0.00 0.93 0.10 0.35 -2.65 0.00 0.00 178.83 177.56 3kx5 h PHE 205 N 1.23 0.19 -0.34 3.99 3.57 -1.02 0.46 116.94 125.02 3kx5 h PHE 205 Ca 0.30 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 3kx5 h PHE 205 Cb 0.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3kx5 h PHE 205 CO 0.01 0.11 -0.06 1.96 -2.23 0.00 0.00 178.31 178.10 3kx5 h GLN 206 N 0.21 0.56 -0.47 1.11 1.08 -1.12 -0.80 115.11 115.68 3kx5 h GLN 206 Ca 0.07 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.05 3kx5 h GLN 206 Cb -0.00 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3kx5 h GLN 206 CO -0.03 0.63 0.03 1.49 -0.95 0.00 0.00 178.83 180.00 3kx5 h GLU 207 N 0.53 0.81 -0.58 1.46 4.81 -1.00 -1.95 114.58 118.65 3kx5 h GLU 207 Ca 0.10 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3kx5 h GLU 207 Cb 0.44 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3kx5 h GLU 207 CO 0.02 0.84 0.01 -0.44 -0.73 0.00 0.00 179.01 178.71 3kx5 h ASP 208 N 0.67 0.98 -0.69 1.04 3.32 -0.55 -1.19 116.42 120.00 3kx5 h ASP 208 Ca 0.14 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kx5 h ASP 208 Cb 0.46 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3kx5 h ASP 208 CO 0.02 1.03 0.43 0.40 -1.72 0.00 0.00 179.24 179.40 3kx5 h ILE 209 N 0.93 1.19 -0.58 0.35 2.04 -1.08 -2.38 117.51 117.98 3kx5 h ILE 209 Ca 0.17 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3kx5 h ILE 209 Cb 0.53 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3kx5 h ILE 209 CO 0.03 0.20 0.12 0.50 0.00 0.00 0.00 178.15 178.99 3kx5 h LYS 210 N 0.94 0.94 -0.51 2.37 3.64 -1.01 -0.36 116.57 122.58 3kx5 h LYS 210 Ca 0.25 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3kx5 h LYS 210 Cb -0.05 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 3kx5 h LYS 210 CO -0.05 0.88 0.23 0.28 -2.27 0.00 0.00 179.45 178.53 3kx5 h VAL 211 N 0.85 0.90 -0.00 2.00 2.07 -1.04 0.15 116.25 121.16 3kx5 h VAL 211 Ca 0.18 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3kx5 h VAL 211 Cb 0.38 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kx5 h VAL 211 CO 0.01 0.08 -0.00 0.24 0.02 0.00 0.00 177.57 177.92 3kx5 h MET 212 N 0.44 0.01 -0.44 1.57 2.86 -1.14 -2.79 114.93 115.44 3kx5 h MET 212 Ca 0.24 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3kx5 h MET 212 Cb 0.20 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3kx5 h MET 212 CO -0.20 0.38 0.29 -0.91 1.06 0.00 0.00 176.91 177.52 3kx5 h ASN 213 N -0.36 0.50 -0.42 1.22 2.35 -0.91 -2.38 115.58 115.58 3kx5 h ASN 213 Ca 0.00 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3kx5 h ASN 213 Cb 0.37 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3kx5 h ASN 213 CO 0.00 0.36 0.20 0.44 -1.65 0.00 0.00 177.43 176.78 3kx5 h ASP 214 N 0.59 0.28 0.08 5.81 3.32 -0.71 0.72 116.42 126.51 3kx5 h ASP 214 Ca 0.16 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kx5 h ASP 214 Cb -0.06 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kx5 h ASP 214 CO -0.04 0.20 -0.04 0.25 -1.72 0.00 0.00 179.24 177.89 3kx5 h LEU 215 N 0.40 -0.09 -0.46 1.55 5.85 -1.37 -2.00 115.31 119.19 3kx5 h LEU 215 Ca 0.18 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3kx5 h LEU 215 Cb 0.11 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3kx5 h LEU 215 CO -0.14 0.21 0.03 0.58 -0.34 0.00 0.00 178.44 178.78 3kx5 h VAL 216 N -0.40 1.26 -0.76 1.05 2.07 -1.37 -2.01 116.25 116.08 3kx5 h VAL 216 Ca -0.01 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3kx5 h VAL 216 Cb 0.35 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3kx5 h VAL 216 CO 0.02 0.35 0.36 0.44 0.02 0.00 0.00 177.57 178.75 3kx5 h ASP 217 N 0.65 0.99 -0.13 0.57 3.32 -0.89 -1.25 116.42 119.68 3kx5 h ASP 217 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3kx5 h ASP 217 Cb 0.45 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3kx5 h ASP 217 CO 0.02 0.84 0.02 0.50 -1.72 0.00 0.00 179.24 178.90 3kx5 h LYS 218 N 1.08 0.21 -0.59 3.56 3.64 -1.12 -1.46 116.57 121.89 3kx5 h LYS 218 Ca 0.26 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 3kx5 h LYS 218 Cb 0.12 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 3kx5 h LYS 218 CO -0.03 0.41 0.29 0.82 -2.27 0.00 0.00 179.45 178.67 3kx5 h ILE 219 N -0.02 0.90 -0.18 2.00 1.08 -1.18 0.13 117.51 120.25 3kx5 h ILE 219 Ca 0.04 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3kx5 h ILE 219 Cb 0.31 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3kx5 h ILE 219 CO 0.00 0.10 0.04 0.40 -0.69 0.00 0.00 178.15 178.00 3kx5 h ILE 220 N 0.54 0.92 -0.21 -0.67 2.04 -1.07 0.25 117.51 119.31 3kx5 h ILE 220 Ca 0.28 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.12 3kx5 h ILE 220 Cb 0.23 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3kx5 h ILE 220 CO -0.21 0.02 0.04 0.00 0.00 0.00 0.00 178.15 178.00 3kx5 h ALA 221 N 1.13 0.21 -0.84 1.87 0.00 -0.80 -1.35 119.26 119.47 3kx5 h ALA 221 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kx5 h ALA 221 Cb 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3kx5 h ALA 221 CO -0.10 -0.39 0.55 -0.44 0.00 0.00 0.00 179.25 178.86 3kx5 h ASP 222 N 0.12 0.93 -0.27 0.00 3.32 -0.49 -2.27 116.42 117.76 3kx5 h ASP 222 Ca 0.09 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3kx5 h ASP 222 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3kx5 h ASP 222 CO -0.13 0.66 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.88 3kx5 h ARG 223 N 1.10 0.66 0.00 3.56 9.65 -0.54 0.96 114.38 129.77 3kx5 h ARG 223 Ca 0.32 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3kx5 h ARG 223 Cb -0.07 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 3kx5 h ARG 223 CO -0.09 0.74 -0.19 0.87 2.80 0.00 0.00 179.97 184.10 3kx5 h LYS 224 N 0.61 0.00 0.10 0.20 1.57 -0.85 -2.00 116.57 116.20 3kx5 h LYS 224 Ca 0.11 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3kx5 h LYS 224 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kx5 h LYS 224 CO 0.03 0.19 -0.87 0.00 -0.57 0.00 0.00 179.45 178.22 3kx5 h ALA 225 N 1.81 0.02 0.51 3.86 0.00 -0.70 -3.39 119.26 121.37 3kx5 h ALA 225 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 3kx5 h ALA 225 Cb 0.71 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kx5 h ALA 225 CO 0.02 0.46 -0.25 0.66 0.00 0.00 0.00 179.25 180.15 3kx5 h SER 226 N -0.50 -0.58 0.00 0.00 4.64 -0.82 -3.47 113.55 112.81 3kx5 h SER 226 Ca -0.18 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3kx5 h SER 226 Cb 1.54 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3kx5 h SER 226 CO 0.08 -0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.43 3kx5 n GLY 227 N -0.53 0.37 3.67 -0.77 0.00 -0.76 -5.06 105.19 102.12 3kx5 n GLY 227 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kx5 n GLY 227 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kx5 n GLU 228 N -1.92 1.84 -5.02 1.61 -0.00 -1.26 -5.00 120.64 110.89 3kx5 n GLU 228 Ca 0.00 0.65 -0.32 0.00 -0.00 0.00 0.00 57.16 57.49 3kx5 n GLU 228 Cb 0.00 -2.26 -0.14 0.00 -0.00 0.00 0.00 31.44 29.04 3kx5 n GLU 228 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3kx5 s GLN 229 N -2.01 2.59 0.33 3.44 -1.52 -1.26 -4.96 119.66 116.27 3kx5 s GLN 229 Ca 0.59 -0.77 0.04 0.00 -1.95 0.00 0.00 55.36 53.27 3kx5 s GLN 229 Cb -0.55 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 3kx5 s GLN 229 CO 0.59 0.50 0.19 -1.12 -0.25 0.00 0.00 175.29 175.21 3kx5 s SER 230 N -0.43 1.77 -0.12 5.90 0.01 -1.26 -5.01 113.70 114.56 3kx5 s SER 230 Ca 0.05 -1.64 -0.00 0.00 1.31 0.00 0.00 55.95 55.66 3kx5 s SER 230 Cb -0.12 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.69 3kx5 s SER 230 CO 0.02 -0.96 1.76 0.47 0.41 0.00 0.00 173.24 174.94 3kx5 n ASP 231 N -1.19 5.00 -4.72 2.44 8.00 -1.26 -4.74 116.55 120.08 3kx5 n ASP 231 Ca 0.02 -2.57 -0.26 0.00 0.71 0.00 0.00 54.79 52.69 3kx5 n ASP 231 Cb 0.64 -0.94 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 3kx5 n ASP 231 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3kx5 s ASP 232 N 1.03 5.09 0.35 -2.24 -4.77 -1.26 -4.73 116.67 110.14 3kx5 s ASP 232 Ca 0.12 -0.29 0.08 0.00 -3.30 0.00 0.00 52.55 49.17 3kx5 s ASP 232 Cb 0.10 -1.19 0.80 0.00 -1.09 0.00 0.00 42.92 41.54 3kx5 s ASP 232 CO 0.01 0.08 1.86 0.25 0.70 0.00 0.00 175.17 178.06 3kx5 h LEU 233 N 2.53 0.67 -0.55 2.11 5.85 -1.07 -2.30 115.31 122.56 3kx5 h LEU 233 Ca -0.47 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.32 3kx5 h LEU 233 Cb 1.20 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3kx5 h LEU 233 CO 0.60 0.34 0.33 0.25 -0.34 0.00 0.00 178.44 179.62 3kx5 h LEU 234 N 0.71 0.53 -0.57 2.25 5.85 -1.57 0.25 115.31 122.76 3kx5 h LEU 234 Ca 0.46 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 3kx5 h LEU 234 Cb 0.72 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3kx5 h LEU 234 CO -0.22 0.38 0.26 0.74 -0.34 0.00 0.00 178.44 179.26 3kx5 h THR 235 N 0.65 1.21 -0.67 1.05 2.02 -1.71 -0.67 112.91 114.79 3kx5 h THR 235 Ca 0.22 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.80 3kx5 h THR 235 Cb 0.02 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 3kx5 h THR 235 CO -0.10 0.24 0.44 0.45 0.37 0.00 0.00 175.52 176.93 3kx5 h HIS 236 N 0.78 0.83 -0.15 3.16 3.86 -1.18 -2.08 115.15 120.37 3kx5 h HIS 236 Ca 0.19 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.25 3kx5 h HIS 236 Cb 0.14 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3kx5 h HIS 236 CO 0.00 0.51 -0.64 0.52 0.86 0.00 0.00 177.93 179.18 3kx5 h MET 237 N 0.89 0.55 0.00 2.45 2.07 -0.68 0.10 114.93 120.32 3kx5 h MET 237 Ca 0.25 -0.39 -0.06 0.00 -2.07 0.00 0.00 59.70 57.43 3kx5 h MET 237 Cb -0.08 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 3kx5 h MET 237 CO -0.07 1.01 -0.29 -0.07 1.07 0.00 0.00 176.91 178.57 3kx5 h LEU 238 N 0.40 0.00 0.00 1.22 3.38 -0.78 -3.20 115.31 116.33 3kx5 h LEU 238 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kx5 h LEU 238 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kx5 h LEU 238 CO 0.12 0.29 -1.49 0.59 0.09 0.00 0.00 178.44 178.04 3kx5 n ASN 239 N -4.10 0.60 -4.75 -0.43 3.02 -0.81 -5.00 115.26 103.78 3kx5 n ASN 239 Ca -0.02 -0.43 -0.40 0.00 -0.03 0.00 0.00 54.58 53.70 3kx5 n ASN 239 Cb 0.34 1.52 -0.06 0.00 -0.61 0.00 0.00 39.78 40.98 3kx5 n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kx5 s GLY 240 N -3.69 3.00 -0.07 7.41 0.00 0.34 -5.06 107.32 109.25 3kx5 s GLY 240 Ca -0.01 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.23 3kx5 s GLY 240 CO 0.83 1.14 -0.15 0.54 0.00 0.00 0.00 173.10 175.47 3kx5 s LYS 241 N -0.76 2.70 0.06 2.90 -0.14 -1.26 -4.14 119.74 119.09 3kx5 s LYS 241 Ca 0.40 -0.71 -0.34 0.00 -1.36 0.00 0.00 55.97 53.97 3kx5 s LYS 241 Cb -0.24 -2.42 -0.13 0.00 -1.68 0.00 0.00 37.83 33.37 3kx5 s LYS 241 CO 0.29 0.52 1.74 -3.47 -0.76 0.00 0.00 175.35 173.66 3kx5 n ASP 242 N 2.62 3.37 0.02 2.83 2.03 -0.33 -4.87 116.55 122.23 3kx5 n ASP 242 Ca -0.17 1.03 0.16 0.00 0.52 0.00 0.00 54.79 56.33 3kx5 n ASP 242 Cb 0.52 -1.42 0.64 0.00 -0.72 0.00 0.00 41.12 40.14 3kx5 n ASP 242 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kx5 h PRO 243 N 7.61 0.09 0.00 -0.67 0.10 -1.91 -0.02 132.00 137.20 3kx5 h PRO 243 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.63 3kx5 h PRO 243 Cb 1.26 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.34 3kx5 h PRO 243 CO 0.92 0.06 -0.03 1.49 0.10 0.00 0.00 178.00 180.54 3kx5 h GLU 244 N 0.09 0.00 0.00 1.05 4.57 -1.97 -3.41 114.58 114.91 3kx5 h GLU 244 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3kx5 h GLU 244 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3kx5 h GLU 244 CO -0.02 0.00 -0.59 1.79 -1.18 0.00 0.00 179.01 179.01 3kx5 h THR 245 N -0.44 0.00 0.00 0.32 1.35 -1.97 -3.47 112.91 108.70 3kx5 h THR 245 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3kx5 h THR 245 Cb 0.03 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3kx5 h THR 245 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kx5 n GLY 246 N 1.30 0.51 3.91 5.82 0.00 -0.02 -4.97 105.19 111.74 3kx5 n GLY 246 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kx5 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx5 s GLU 247 N -0.39 3.45 0.60 1.61 2.02 -1.26 -4.54 118.70 120.19 3kx5 s GLU 247 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 54.97 54.53 3kx5 s GLU 247 Cb 0.00 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 3kx5 s GLU 247 CO 0.00 0.62 0.94 -1.25 0.02 0.00 0.00 175.26 175.59 3kx5 s PRO 248 N -2.35 3.14 0.39 0.39 0.05 -1.26 -1.19 135.00 134.18 3kx5 s PRO 248 Ca 0.33 0.26 -0.27 0.00 0.05 0.00 0.00 61.00 61.38 3kx5 s PRO 248 Cb -0.13 -2.21 -0.09 0.00 0.05 0.00 0.00 34.50 32.12 3kx5 s PRO 248 CO 0.25 -0.65 1.37 -0.51 0.05 0.00 0.00 177.00 177.51 3kx5 s LEU 249 N -5.05 4.26 0.78 -3.56 1.43 -1.26 -4.97 118.68 110.31 3kx5 s LEU 249 Ca 0.54 2.80 -0.12 0.00 -1.03 0.00 0.00 54.13 56.32 3kx5 s LEU 249 Cb -0.11 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.36 3kx5 s LEU 249 CO 0.48 -0.86 1.13 1.51 0.23 0.00 0.00 176.35 178.83 3kx5 s ASP 250 N -0.52 4.74 0.37 2.29 3.84 -1.26 -4.82 116.67 121.31 3kx5 s ASP 250 Ca 0.55 1.04 0.06 0.00 -0.00 0.00 0.00 52.55 54.21 3kx5 s ASP 250 Cb -0.41 -1.71 0.73 0.00 -1.38 0.00 0.00 42.92 40.14 3kx5 s ASP 250 CO 0.54 -1.78 1.95 0.44 -0.00 0.00 0.00 175.17 176.32 3kx5 h ASP 251 N -0.96 0.45 -0.18 2.11 3.32 -1.99 -0.91 116.42 118.25 3kx5 h ASP 251 Ca -0.46 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 3kx5 h ASP 251 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kx5 h ASP 251 CO 0.63 0.45 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.50 3kx5 h GLU 252 N 0.48 0.34 -0.39 3.56 4.81 -2.00 -2.27 114.58 119.11 3kx5 h GLU 252 Ca 0.11 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3kx5 h GLU 252 Cb 0.19 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3kx5 h GLU 252 CO -0.00 0.58 0.03 -0.97 -0.73 0.00 0.00 179.01 177.92 3kx5 h ASN 253 N 0.06 0.55 -0.49 1.04 -0.73 -1.78 -2.05 115.58 112.19 3kx5 h ASN 253 Ca 0.05 -0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.14 3kx5 h ASN 253 Cb 0.45 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 3kx5 h ASN 253 CO 0.01 0.60 0.28 0.40 -0.37 0.00 0.00 177.43 178.36 3kx5 h ILE 254 N 0.57 1.02 -0.53 2.57 2.04 -1.07 0.22 117.51 122.33 3kx5 h ILE 254 Ca 0.12 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3kx5 h ILE 254 Cb 0.32 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3kx5 h ILE 254 CO 0.01 0.10 0.27 -0.09 0.00 0.00 0.00 178.15 178.44 3kx5 h ARG 255 N 0.55 0.51 -0.34 2.37 2.43 -0.99 -1.89 114.38 117.01 3kx5 h ARG 255 Ca 0.20 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3kx5 h ARG 255 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3kx5 h ARG 255 CO -0.11 0.34 -0.02 1.88 -1.51 0.00 0.00 179.97 180.55 3kx5 h TYR 256 N 0.53 0.57 -0.31 2.20 0.05 -0.74 -1.36 116.97 117.90 3kx5 h TYR 256 Ca 0.24 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.84 3kx5 h TYR 256 Cb 0.14 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3kx5 h TYR 256 CO -0.10 0.57 -0.26 1.96 -1.05 0.00 0.00 178.16 179.27 3kx5 h GLN 257 N 0.52 0.63 -0.13 4.88 1.08 -0.47 0.69 115.11 122.31 3kx5 h GLN 257 Ca 0.11 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 3kx5 h GLN 257 Cb 0.37 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3kx5 h GLN 257 CO 0.01 0.83 -0.03 0.82 -0.95 0.00 0.00 178.83 179.51 3kx5 h ILE 258 N 0.54 1.29 -0.81 2.54 2.04 -0.94 -0.65 117.51 121.52 3kx5 h ILE 258 Ca 0.07 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3kx5 h ILE 258 Cb 0.74 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 3kx5 h ILE 258 CO 0.06 0.28 0.54 0.40 0.00 0.00 0.00 178.15 179.43 3kx5 h ILE 259 N -0.07 1.21 -0.37 -0.67 2.04 -1.22 -2.79 117.51 115.63 3kx5 h ILE 259 Ca 0.03 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3kx5 h ILE 259 Cb 0.46 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kx5 h ILE 259 CO 0.01 0.20 0.24 0.74 0.00 0.00 0.00 178.15 179.34 3kx5 h THR 260 N 1.10 1.11 -0.72 -0.27 2.02 -0.74 -1.51 112.91 113.90 3kx5 h THR 260 Ca 0.30 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.32 3kx5 h THR 260 Cb -0.13 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 3kx5 h THR 260 CO -0.06 0.11 0.39 -0.08 0.37 0.00 0.00 175.52 176.25 3kx5 h GLU 261 N 0.50 0.68 -0.22 6.66 4.81 -0.86 0.33 114.58 126.48 3kx5 h GLU 261 Ca 0.14 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3kx5 h GLU 261 Cb -0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3kx5 h GLU 261 CO -0.03 0.45 0.04 -0.07 -0.73 0.00 0.00 179.01 178.68 3kx5 h LEU 262 N 0.70 0.34 -0.40 1.64 3.38 -1.26 -1.97 115.31 117.75 3kx5 h LEU 262 Ca 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kx5 h LEU 262 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kx5 h LEU 262 CO -0.21 0.51 0.15 0.40 0.09 0.00 0.00 178.44 179.37 3kx5 h ILE 263 N 0.17 1.20 0.00 1.22 2.04 -0.80 -2.16 117.51 119.18 3kx5 h ILE 263 Ca 0.07 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 3kx5 h ILE 263 Cb 0.31 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3kx5 h ILE 263 CO 0.00 0.23 -0.51 0.00 0.00 0.00 0.00 178.15 177.88 3kx5 h ALA 264 N 0.99 0.69 0.00 1.87 0.00 -0.99 -3.39 119.26 118.44 3kx5 h ALA 264 Ca 0.13 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 3kx5 h ALA 264 Cb 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3kx5 h ALA 264 CO -0.01 0.63 -2.20 0.41 0.00 0.00 0.00 179.25 178.08 3kx5 n GLY 265 N 1.12 -0.56 0.23 0.00 0.00 -0.74 -4.52 105.19 100.72 3kx5 n GLY 265 Ca 0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3kx5 n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3kx5 h HIS 266 N 0.00 0.87 0.13 1.61 2.07 -1.57 -2.97 115.15 115.29 3kx5 h HIS 266 Ca -0.47 -0.31 -0.36 0.00 -2.85 0.00 0.00 60.37 56.37 3kx5 h HIS 266 Cb 1.90 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 31.70 3kx5 h HIS 266 CO 0.01 1.09 -1.94 1.49 -3.07 0.00 0.00 177.93 175.51 3kx5 h GLU 267 N 0.53 0.27 -0.45 5.12 4.81 -1.80 -2.46 114.58 120.59 3kx5 h GLU 267 Ca 0.01 -0.46 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 3kx5 h GLU 267 Cb 1.14 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3kx5 h GLU 267 CO 0.11 1.19 0.19 1.79 -0.73 0.00 0.00 179.01 181.57 3kx5 h THR 268 N 0.07 0.91 -0.28 0.32 1.35 -1.79 -1.19 112.91 112.30 3kx5 h THR 268 Ca -0.40 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.19 3kx5 h THR 268 Cb 2.04 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3kx5 h THR 268 CO 0.10 0.07 -0.34 0.74 -0.25 0.00 0.00 175.52 175.85 3kx5 h THR 269 N 0.39 1.30 -0.33 6.82 2.02 -1.61 -1.46 112.91 120.03 3kx5 h THR 269 Ca 0.21 -1.52 -0.08 0.00 0.77 0.00 0.00 66.41 65.79 3kx5 h THR 269 Cb 0.16 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3kx5 h THR 269 CO -0.18 0.49 -0.12 0.77 0.37 0.00 0.00 175.52 176.85 3kx5 h SER 270 N 0.47 0.56 -0.57 4.18 4.64 -1.42 -1.92 113.55 119.49 3kx5 h SER 270 Ca 0.04 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3kx5 h SER 270 Cb 0.92 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 3kx5 h SER 270 CO 0.08 0.71 0.26 1.23 -0.87 0.00 0.00 176.83 178.24 3kx5 h GLY 271 N 0.95 0.89 0.89 -0.77 0.00 -1.10 -1.21 103.07 102.72 3kx5 h GLY 271 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3kx5 h GLY 271 CO 0.03 0.43 0.02 -2.00 0.00 0.00 0.00 176.54 175.02 3kx5 h LEU 272 N 0.78 -0.00 -0.99 3.11 5.85 -0.91 0.85 115.31 124.00 3kx5 h LEU 272 Ca 0.19 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kx5 h LEU 272 Cb 0.14 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3kx5 h LEU 272 CO -0.02 0.02 0.48 -0.07 -0.34 0.00 0.00 178.44 178.50 3kx5 h LEU 273 N 0.06 1.06 -0.03 2.25 3.38 -1.21 -0.24 115.31 120.57 3kx5 h LEU 273 Ca 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kx5 h LEU 273 Cb 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kx5 h LEU 273 CO -0.06 0.84 0.00 0.28 0.09 0.00 0.00 178.44 179.59 3kx5 h SER 274 N 1.19 0.05 -0.95 -0.43 0.02 -0.86 -1.81 113.55 110.77 3kx5 h SER 274 Ca 0.30 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kx5 h SER 274 Cb 0.01 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3kx5 h SER 274 CO -0.05 0.35 0.63 -0.26 -1.14 0.00 0.00 176.83 176.36 3kx5 h PHE 275 N -0.25 1.19 -0.25 3.45 0.04 -0.68 -1.62 116.94 118.83 3kx5 h PHE 275 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3kx5 h PHE 275 Cb 0.32 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3kx5 h PHE 275 CO 0.03 0.75 0.12 0.00 -0.60 0.00 0.00 178.31 178.61 3kx5 h ALA 276 N 1.41 0.32 -0.64 2.45 0.00 -0.90 -0.76 119.26 121.14 3kx5 h ALA 276 Ca 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3kx5 h ALA 276 Cb -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kx5 h ALA 276 CO -0.08 -0.12 0.18 1.25 0.00 0.00 0.00 179.25 180.49 3kx5 h LEU 277 N 0.27 0.93 0.08 0.00 5.85 -1.16 -0.90 115.31 120.38 3kx5 h LEU 277 Ca 0.09 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3kx5 h LEU 277 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3kx5 h LEU 277 CO -0.01 0.88 -0.24 0.22 -0.34 0.00 0.00 178.44 178.95 3kx5 h TYR 278 N 0.96 -0.65 -0.41 1.25 3.20 -0.99 -0.99 116.97 119.33 3kx5 h TYR 278 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3kx5 h TYR 278 Cb 0.30 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3kx5 h TYR 278 CO 0.02 -0.34 0.12 0.74 -1.64 0.00 0.00 178.16 177.06 3kx5 h PHE 279 N -0.43 0.60 -0.21 -3.82 0.04 -0.86 -1.91 116.94 110.36 3kx5 h PHE 279 Ca 0.04 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3kx5 h PHE 279 Cb 0.47 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3kx5 h PHE 279 CO -0.24 0.50 0.05 -0.07 -0.60 0.00 0.00 178.31 177.95 3kx5 h LEU 280 N 0.59 0.33 -1.31 1.54 3.38 -0.71 -1.84 115.31 117.28 3kx5 h LEU 280 Ca 0.14 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3kx5 h LEU 280 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kx5 h LEU 280 CO -0.01 0.47 -0.33 -0.37 0.09 0.00 0.00 178.44 178.29 3kx5 h VAL 281 N 0.17 1.08 0.00 1.22 -1.51 -0.86 -1.92 116.25 114.43 3kx5 h VAL 281 Ca 0.07 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3kx5 h VAL 281 Cb 0.27 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3kx5 h VAL 281 CO 0.00 0.32 0.00 0.29 -1.23 0.00 0.00 177.57 176.95 3kx5 n LYS 282 N -3.92 0.08 -3.29 5.19 4.76 -0.75 -4.29 118.16 115.95 3kx5 n LYS 282 Ca -0.02 0.12 -0.25 0.00 -2.87 0.00 0.00 58.31 55.29 3kx5 n LYS 282 Cb 0.40 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 3kx5 n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kx5 n ASN 283 N -1.74 1.05 -0.19 4.39 3.02 -0.71 -5.01 115.26 116.07 3kx5 n ASN 283 Ca 0.06 -2.86 0.20 0.00 -0.03 0.00 0.00 54.58 51.95 3kx5 n ASN 283 Cb 0.33 -0.64 0.56 0.00 -0.61 0.00 0.00 39.78 39.42 3kx5 n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kx5 h PRO 284 N 4.24 0.29 -0.03 3.52 0.11 -1.74 0.11 132.00 138.50 3kx5 h PRO 284 Ca 0.12 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 3kx5 h PRO 284 Cb 0.83 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3kx5 h PRO 284 CO 0.55 0.19 -0.49 1.12 -0.21 0.00 0.00 178.00 179.16 3kx5 h HIS 285 N 0.30 0.10 -0.20 0.65 2.07 -1.95 -0.25 115.15 115.87 3kx5 h HIS 285 Ca 0.42 -0.03 -0.15 0.00 -2.85 0.00 0.00 60.37 57.75 3kx5 h HIS 285 Cb 1.17 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.13 3kx5 h HIS 285 CO -0.00 0.56 -0.48 0.28 -3.07 0.00 0.00 177.93 175.22 3kx5 h VAL 286 N 0.07 1.32 -0.63 6.12 2.07 -1.11 -2.31 116.25 121.77 3kx5 h VAL 286 Ca 0.00 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.87 3kx5 h VAL 286 Cb 0.90 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 3kx5 h VAL 286 CO 0.07 0.53 0.34 0.25 0.02 0.00 0.00 177.57 178.78 3kx5 h LEU 287 N 0.37 0.48 -0.42 2.57 6.46 -1.20 -0.86 115.31 122.71 3kx5 h LEU 287 Ca -0.00 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3kx5 h LEU 287 Cb 1.09 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 3kx5 h LEU 287 CO 0.10 0.31 0.21 -0.61 -0.62 0.00 0.00 178.44 177.84 3kx5 h GLN 288 N 0.62 0.60 -0.75 1.25 4.15 -0.98 0.62 115.11 120.62 3kx5 h GLN 288 Ca 0.29 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3kx5 h GLN 288 Cb 0.20 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3kx5 h GLN 288 CO -0.19 0.51 0.49 -0.22 -1.93 0.00 0.00 178.83 177.48 3kx5 h LYS 289 N 0.54 0.99 -0.42 1.69 3.64 -1.05 -0.43 116.57 121.53 3kx5 h LYS 289 Ca 0.15 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3kx5 h LYS 289 Cb 0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3kx5 h LYS 289 CO -0.02 0.66 -0.21 0.00 -2.27 0.00 0.00 179.45 177.61 3kx5 h ALA 290 N 1.27 0.59 -0.58 5.00 0.00 -0.86 -2.22 119.26 122.46 3kx5 h ALA 290 Ca 0.27 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kx5 h ALA 290 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kx5 h ALA 290 CO -0.06 0.56 0.12 0.00 0.00 0.00 0.00 179.25 179.87 3kx5 h ALA 291 N 0.82 1.13 -0.65 0.00 0.00 -0.61 -1.40 119.26 118.54 3kx5 h ALA 291 Ca 0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kx5 h ALA 291 Cb 0.78 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kx5 h ALA 291 CO 0.06 0.58 0.21 0.93 0.00 0.00 0.00 179.25 181.03 3kx5 h GLU 292 N 0.86 1.02 -0.24 0.00 5.08 -0.92 -1.10 114.58 119.27 3kx5 h GLU 292 Ca 0.18 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3kx5 h GLU 292 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3kx5 h GLU 292 CO 0.00 0.89 0.11 1.49 -1.00 0.00 0.00 179.01 180.50 3kx5 h GLU 293 N 0.95 0.36 -0.45 2.33 4.81 -1.12 -1.55 114.58 119.91 3kx5 h GLU 293 Ca 0.21 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3kx5 h GLU 293 Cb 0.29 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3kx5 h GLU 293 CO -0.01 0.39 0.08 0.00 -0.73 0.00 0.00 179.01 178.74 3kx5 h ALA 294 N 0.96 0.48 -0.33 2.92 0.00 -1.02 0.32 119.26 122.59 3kx5 h ALA 294 Ca 0.08 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kx5 h ALA 294 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kx5 h ALA 294 CO -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 179.25 178.88 3kx5 h ALA 295 N 1.35 1.33 -0.39 0.00 0.00 -1.10 0.35 119.26 120.80 3kx5 h ALA 295 Ca 0.22 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3kx5 h ALA 295 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kx5 h ALA 295 CO -0.30 0.46 -0.37 -0.09 0.00 0.00 0.00 179.25 178.94 3kx5 h ARG 296 N 0.50 0.94 0.06 0.00 2.43 -0.30 -3.37 114.38 114.64 3kx5 h ARG 296 Ca 0.10 -0.49 -0.34 0.00 -0.81 0.00 0.00 59.98 58.44 3kx5 h ARG 296 Cb 0.38 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3kx5 h ARG 296 CO 0.02 1.14 -1.93 0.28 -1.51 0.00 0.00 179.97 177.97 3kx5 n VAL 297 N -4.06 1.65 -2.40 0.20 0.31 0.01 -4.63 118.33 109.41 3kx5 n VAL 297 Ca -0.02 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 63.43 3kx5 n VAL 297 Cb 0.54 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3kx5 n VAL 297 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kx5 n LEU 298 N -3.77 6.50 -0.52 7.52 4.77 0.10 -4.73 117.00 126.87 3kx5 n LEU 298 Ca -0.36 -4.62 0.14 0.00 -0.03 0.00 0.00 56.01 51.13 3kx5 n LEU 298 Cb 0.93 -1.49 0.49 0.00 -2.33 0.00 0.00 43.42 41.01 3kx5 n LEU 298 CO 0.30 1.31 0.85 1.33 -1.33 0.00 0.00 177.39 179.85 3kx5 n VAL 299 N 3.48 0.01 -4.24 4.08 0.24 -1.26 -4.87 118.33 115.77 3kx5 n VAL 299 Ca 0.40 -0.27 -0.25 0.00 -2.04 0.00 0.00 64.34 62.18 3kx5 n VAL 299 Cb 0.37 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 3kx5 n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kx5 s ASP 300 N -1.98 4.70 0.47 -1.34 1.01 -1.26 -5.03 116.67 113.24 3kx5 s ASP 300 Ca 0.37 -0.50 0.13 0.00 0.71 0.00 0.00 52.55 53.26 3kx5 s ASP 300 Cb 0.21 -0.95 1.09 0.00 1.01 0.00 0.00 42.92 44.28 3kx5 s ASP 300 CO 0.33 0.04 2.08 -0.65 0.21 0.00 0.00 175.17 177.18 3kx5 h PRO 301 N 2.28 0.26 -4.96 8.23 0.11 -1.89 -3.39 132.00 132.64 3kx5 h PRO 301 Ca -0.46 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 3kx5 h PRO 301 Cb 1.23 -0.06 -0.32 0.00 0.11 0.00 0.00 31.00 31.96 3kx5 h PRO 301 CO 0.59 0.17 -0.82 0.14 -0.21 0.00 0.00 178.00 177.87 3kx5 s VAL 302 N -5.27 1.26 0.43 3.15 -7.23 -1.26 -2.28 120.40 109.20 3kx5 s VAL 302 Ca -0.07 -0.60 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 3kx5 s VAL 302 Cb 0.18 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 3kx5 s VAL 302 CO 0.71 0.37 1.21 -2.84 -0.31 0.00 0.00 175.10 174.25 3kx5 s PRO 303 N 0.26 3.85 0.29 4.82 0.02 -1.26 -5.02 135.00 137.97 3kx5 s PRO 303 Ca -0.08 1.92 0.06 0.00 0.02 0.00 0.00 61.00 62.93 3kx5 s PRO 303 Cb -0.13 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.81 3kx5 s PRO 303 CO 0.03 -0.51 0.39 -1.54 -0.33 0.00 0.00 177.00 175.04 3kx5 s SER 304 N -1.11 6.01 0.20 2.53 1.04 -1.26 -5.01 113.70 116.10 3kx5 s SER 304 Ca 0.60 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 3kx5 s SER 304 Cb -0.32 -1.46 0.26 0.00 0.10 0.00 0.00 66.02 64.59 3kx5 s SER 304 CO 0.40 -0.26 1.71 0.22 0.98 0.00 0.00 173.24 176.30 3kx5 h TYR 305 N 1.08 0.19 0.00 5.02 3.20 -1.96 -2.44 116.97 122.06 3kx5 h TYR 305 Ca -0.48 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.36 3kx5 h TYR 305 Cb 1.24 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3kx5 h TYR 305 CO 0.45 -0.02 -0.30 1.57 -1.64 0.00 0.00 178.16 178.22 3kx5 h LYS 306 N 0.26 0.00 -0.32 1.82 2.10 -2.00 -2.67 116.57 115.76 3kx5 h LYS 306 Ca 0.29 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.82 3kx5 h LYS 306 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 3kx5 h LYS 306 CO -0.38 0.30 -0.29 1.96 -2.00 0.00 0.00 179.45 179.04 3kx5 h GLN 307 N 0.00 0.76 -1.00 0.07 4.20 -1.82 -3.08 115.11 114.24 3kx5 h GLN 307 Ca -0.00 -0.39 0.09 0.00 0.06 0.00 0.00 58.65 58.41 3kx5 h GLN 307 Cb 0.54 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 3kx5 h GLN 307 CO 0.04 1.01 0.64 0.28 -0.67 0.00 0.00 178.83 180.13 3kx5 h VAL 308 N 0.52 1.00 0.00 -0.54 2.07 -1.20 -0.21 116.25 117.90 3kx5 h VAL 308 Ca 0.05 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kx5 h VAL 308 Cb 0.87 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3kx5 h VAL 308 CO 0.07 0.20 0.00 0.11 0.02 0.00 0.00 177.57 177.97 3kx5 h LYS 309 N 1.09 0.00 -0.08 1.57 1.57 -1.42 -1.83 116.57 117.47 3kx5 h LYS 309 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3kx5 h LYS 309 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kx5 h LYS 309 CO -0.22 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.70 3kx5 n GLN 310 N -2.65 1.93 -2.01 3.15 1.13 -0.09 -4.59 117.38 114.24 3kx5 n GLN 310 Ca -0.01 -1.36 -0.42 0.00 -1.94 0.00 0.00 57.00 53.27 3kx5 n GLN 310 Cb 0.12 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3kx5 n GLN 310 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kx5 n LEU 311 N 0.63 6.76 -0.01 1.08 4.77 -0.69 -4.74 117.00 124.79 3kx5 n LEU 311 Ca 0.17 -4.37 -0.12 0.00 -0.03 0.00 0.00 56.01 51.66 3kx5 n LEU 311 Cb 0.44 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.87 3kx5 n LEU 311 CO 0.15 1.23 0.75 0.50 -1.33 0.00 0.00 177.39 178.69 3kx5 h LYS 312 N 5.89 0.10 -0.43 3.23 3.64 -1.86 -2.04 116.57 125.11 3kx5 h LYS 312 Ca 0.49 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.72 3kx5 h LYS 312 Cb 0.64 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3kx5 h LYS 312 CO 1.77 0.34 -0.21 -0.92 -2.27 0.00 0.00 179.45 178.16 3kx5 h TYR 313 N -0.15 0.98 -0.87 1.91 3.20 -1.98 -1.62 116.97 118.43 3kx5 h TYR 313 Ca 0.02 -0.22 0.07 0.00 3.14 0.00 0.00 58.73 61.73 3kx5 h TYR 313 Cb 0.29 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 3kx5 h TYR 313 CO 0.02 0.99 0.54 0.28 -1.64 0.00 0.00 178.16 178.34 3kx5 h VAL 314 N 0.75 1.03 -0.81 1.81 2.07 -1.89 -0.60 116.25 118.62 3kx5 h VAL 314 Ca 0.10 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3kx5 h VAL 314 Cb 0.74 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3kx5 h VAL 314 CO 0.06 0.18 0.53 1.23 0.02 0.00 0.00 177.57 179.59 3kx5 h GLY 315 N 0.97 1.13 1.12 2.17 0.00 -0.75 -1.52 103.07 106.20 3kx5 h GLY 315 Ca 0.39 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3kx5 h GLY 315 CO -0.18 0.39 -0.07 -0.33 0.00 0.00 0.00 176.54 176.35 3kx5 h MET 316 N 1.07 1.03 -0.37 4.80 2.07 -0.29 -1.65 114.93 121.58 3kx5 h MET 316 Ca 0.30 -0.36 0.02 0.00 -2.07 0.00 0.00 59.70 57.60 3kx5 h MET 316 Cb -0.08 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.54 3kx5 h MET 316 CO -0.07 1.05 0.20 0.28 1.07 0.00 0.00 176.91 179.44 3kx5 h VAL 317 N 0.92 1.00 -0.64 -2.22 2.07 -0.70 -1.26 116.25 115.42 3kx5 h VAL 317 Ca 0.15 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3kx5 h VAL 317 Cb 0.64 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kx5 h VAL 317 CO 0.04 0.07 0.26 -0.07 0.02 0.00 0.00 177.57 177.89 3kx5 h LEU 318 N 0.40 0.89 -0.80 2.57 3.38 -1.10 -1.50 115.31 119.14 3kx5 h LEU 318 Ca 0.16 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kx5 h LEU 318 Cb 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kx5 h LEU 318 CO -0.10 0.82 0.25 0.78 0.09 0.00 0.00 178.44 180.28 3kx5 h ASN 319 N 0.90 1.07 0.49 -0.43 2.35 -1.05 -1.35 115.58 117.56 3kx5 h ASN 319 Ca 0.21 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3kx5 h ASN 319 Cb 0.21 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3kx5 h ASN 319 CO -0.02 0.98 -0.54 -0.08 -1.65 0.00 0.00 177.43 176.12 3kx5 h GLU 320 N 1.10 0.05 -0.55 0.81 4.57 -1.04 0.19 114.58 119.72 3kx5 h GLU 320 Ca 0.24 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3kx5 h GLU 320 Cb 0.28 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3kx5 h GLU 320 CO -0.01 0.58 -0.06 0.00 -1.18 0.00 0.00 179.01 178.33 3kx5 h ALA 321 N 1.42 0.85 0.00 2.92 0.00 -1.04 -2.67 119.26 120.74 3kx5 h ALA 321 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3kx5 h ALA 321 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kx5 h ALA 321 CO 0.07 0.66 -0.39 -0.07 0.00 0.00 0.00 179.25 179.52 3kx5 h LEU 322 N 0.89 0.00 0.31 0.00 3.38 -0.82 -0.58 115.31 118.50 3kx5 h LEU 322 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kx5 h LEU 322 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kx5 h LEU 322 CO 0.04 0.39 -0.15 -0.09 0.09 0.00 0.00 178.44 178.71 3kx5 h ARG 323 N 0.00 -0.40 -0.28 1.13 2.43 -0.78 -2.71 114.38 113.76 3kx5 h ARG 323 Ca -0.00 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3kx5 h ARG 323 Cb 0.78 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3kx5 h ARG 323 CO 0.05 -0.12 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.17 3kx5 h LEU 324 N -0.68 0.62 -6.18 3.80 3.38 -1.39 -3.39 115.31 111.47 3kx5 h LEU 324 Ca -0.04 -0.42 -0.58 0.00 0.09 0.00 0.00 57.88 56.93 3kx5 h LEU 324 Cb 0.48 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.65 3kx5 h LEU 324 CO 0.07 0.90 -0.91 0.79 0.09 0.00 0.00 178.44 179.38 3kx5 n TRP 325 N -4.41 0.95 -1.75 1.13 7.02 -0.23 -4.88 117.44 115.26 3kx5 n TRP 325 Ca -0.04 -3.75 -0.42 0.00 -1.02 0.00 0.00 57.50 52.28 3kx5 n TRP 325 Cb 0.38 -0.35 -0.03 0.00 -2.42 0.00 0.00 31.31 28.89 3kx5 n TRP 325 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3kx5 s PRO 326 N -1.41 4.15 0.12 -0.99 0.04 -1.02 -4.65 135.00 131.24 3kx5 s PRO 326 Ca 0.35 2.54 0.27 0.00 0.04 0.00 0.00 61.00 64.20 3kx5 s PRO 326 Cb 0.13 -3.81 0.99 0.00 0.04 0.00 0.00 34.50 31.85 3kx5 s PRO 326 CO -0.10 -0.87 1.82 0.25 0.04 0.00 0.00 177.00 178.15 3kx5 n THR 327 N 5.06 0.39 -3.76 1.26 -2.24 -1.26 -3.22 114.28 110.50 3kx5 n THR 327 Ca 0.18 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 3kx5 n THR 327 Cb 0.40 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.93 3kx5 n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx5 s ALA 328 N -3.07 3.83 -1.02 6.98 0.00 -1.26 -1.83 121.76 125.40 3kx5 s ALA 328 Ca 0.11 -3.60 0.22 0.00 0.00 0.00 0.00 51.96 48.70 3kx5 s ALA 328 Cb 0.15 -2.55 0.95 0.00 0.00 0.00 0.00 23.12 21.66 3kx5 s ALA 328 CO 0.54 -2.11 1.71 -0.35 0.00 0.00 0.00 175.76 175.55 3kx5 n PRO 329 N 2.70 0.01 -3.80 0.00 -0.04 -1.20 -4.75 135.00 127.92 3kx5 n PRO 329 Ca 0.15 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 3kx5 n PRO 329 Cb 0.36 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 3kx5 n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx5 s ALA 330 N -2.98 -0.53 0.14 0.55 0.00 -1.26 -1.13 121.76 116.55 3kx5 s ALA 330 Ca 0.11 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.63 3kx5 s ALA 330 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3kx5 s ALA 330 CO 0.40 -0.12 -0.12 -0.59 0.00 0.00 0.00 175.76 175.32 3kx5 s PHE 331 N -0.15 1.36 -0.05 0.00 -0.71 -1.16 -4.97 117.98 112.30 3kx5 s PHE 331 Ca -0.03 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.27 3kx5 s PHE 331 Cb -0.02 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 3kx5 s PHE 331 CO 0.01 0.14 -0.15 0.45 -1.34 0.00 0.00 175.22 174.33 3kx5 s SER 332 N -2.78 3.99 0.17 1.98 0.15 -1.26 -0.61 113.70 115.34 3kx5 s SER 332 Ca 0.13 -0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.63 3kx5 s SER 332 Cb -0.02 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 3kx5 s SER 332 CO 0.02 0.34 -0.12 -0.76 1.20 0.00 0.00 173.24 173.93 3kx5 s LEU 333 N -0.70 2.53 0.08 3.45 1.43 -0.17 -0.81 118.68 124.49 3kx5 s LEU 333 Ca 0.11 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.27 3kx5 s LEU 333 Cb -0.11 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 3kx5 s LEU 333 CO 0.01 -0.26 -0.16 -0.72 0.23 0.00 0.00 176.35 175.44 3kx5 s TYR 334 N -3.12 1.41 -0.07 0.29 1.13 -0.30 -0.94 117.35 115.74 3kx5 s TYR 334 Ca 0.18 -0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 55.09 3kx5 s TYR 334 Cb 0.01 -0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 40.06 3kx5 s TYR 334 CO 0.03 0.11 1.24 0.00 -2.51 0.00 0.00 175.55 174.42 3kx5 s ALA 335 N -1.30 3.54 0.26 9.51 0.00 -0.47 -2.11 121.76 131.19 3kx5 s ALA 335 Ca 0.01 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 3kx5 s ALA 335 Cb -0.10 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.81 3kx5 s ALA 335 CO 0.03 -0.87 1.71 0.87 0.00 0.00 0.00 175.76 177.50 3kx5 h LYS 336 N 7.67 0.63 -4.25 0.00 1.57 -1.63 0.67 116.57 121.22 3kx5 h LYS 336 Ca -0.33 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.05 3kx5 h LYS 336 Cb 1.15 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.29 3kx5 h LYS 336 CO 0.90 0.78 -0.44 -1.21 -0.57 0.00 0.00 179.45 178.91 3kx5 s GLU 337 N -4.64 1.31 0.35 3.15 0.41 -1.26 -4.72 118.70 113.30 3kx5 s GLU 337 Ca -0.08 -1.48 -0.27 0.00 -0.41 0.00 0.00 54.97 52.73 3kx5 s GLU 337 Cb 0.14 0.34 -0.12 0.00 -1.78 0.00 0.00 34.13 32.70 3kx5 s GLU 337 CO 0.81 -0.47 1.10 -0.25 -0.49 0.00 0.00 175.26 175.95 3kx5 n ASP 338 N -0.30 1.74 -3.51 -0.19 8.00 -1.26 -4.06 116.55 116.96 3kx5 n ASP 338 Ca 0.00 1.14 -0.09 0.00 0.71 0.00 0.00 54.79 56.55 3kx5 n ASP 338 Cb 0.64 -1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.35 3kx5 n ASP 338 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kx5 s THR 339 N -1.14 0.00 -0.23 -3.53 -1.32 -0.62 -4.90 115.64 103.89 3kx5 s THR 339 Ca 0.59 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.00 3kx5 s THR 339 Cb -0.61 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3kx5 s THR 339 CO 0.60 0.00 0.05 -0.69 -2.21 0.00 0.00 174.62 172.37 3kx5 s VAL 340 N -2.89 4.28 -0.19 5.08 1.01 -1.26 0.28 120.40 126.71 3kx5 s VAL 340 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 3kx5 s VAL 340 Cb -0.01 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3kx5 s VAL 340 CO -0.08 0.38 0.68 -0.22 0.00 0.00 0.00 175.10 175.86 3kx5 s LEU 341 N 1.29 4.16 -2.13 3.92 2.96 0.57 -4.08 118.68 125.37 3kx5 s LEU 341 Ca 0.05 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 3kx5 s LEU 341 Cb -0.15 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.56 3kx5 s LEU 341 CO 0.03 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 3kx5 n GLY 342 N 3.69 1.92 2.99 7.98 0.00 -1.26 -1.66 105.19 118.85 3kx5 n GLY 342 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kx5 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx5 n GLY 343 N -0.45 1.67 0.00 -0.02 0.00 -1.26 -4.75 105.19 100.39 3kx5 n GLY 343 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kx5 n GLY 343 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kx5 n GLU 344 N -2.00 0.21 -3.87 1.61 0.28 -0.98 -5.01 120.64 110.88 3kx5 n GLU 344 Ca 0.00 -0.02 -0.30 0.00 -0.16 0.00 0.00 57.16 56.68 3kx5 n GLU 344 Cb 0.00 -0.31 -0.14 0.00 1.43 0.00 0.00 31.44 32.42 3kx5 n GLU 344 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3kx5 s TYR 345 N -0.04 2.79 0.25 -1.84 2.02 -0.66 -4.97 117.35 114.90 3kx5 s TYR 345 Ca 0.00 -2.60 -0.30 0.00 -0.37 0.00 0.00 57.07 53.80 3kx5 s TYR 345 Cb 0.00 -2.40 -0.11 0.00 -0.40 0.00 0.00 41.96 39.06 3kx5 s TYR 345 CO 0.00 -0.86 1.52 -2.14 -1.57 0.00 0.00 175.55 172.50 3kx5 s PRO 346 N 0.77 4.21 0.02 -1.71 0.02 -1.26 -0.31 135.00 136.73 3kx5 s PRO 346 Ca 0.13 2.41 0.08 0.00 0.02 0.00 0.00 61.00 63.64 3kx5 s PRO 346 Cb -0.21 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 3kx5 s PRO 346 CO -0.09 -0.53 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.31 3kx5 s LEU 347 N -0.13 2.11 0.17 -5.54 1.43 0.14 -4.91 118.68 111.96 3kx5 s LEU 347 Ca 0.63 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3kx5 s LEU 347 Cb -0.44 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 3kx5 s LEU 347 CO 0.43 0.24 0.42 -1.61 0.23 0.00 0.00 176.35 176.05 3kx5 s GLU 348 N -0.92 3.65 0.00 1.70 2.02 -1.26 -1.60 118.70 122.30 3kx5 s GLU 348 Ca 0.09 -0.02 -0.38 0.00 0.02 0.00 0.00 54.97 54.68 3kx5 s GLU 348 Cb -0.09 -2.79 -0.17 0.00 0.10 0.00 0.00 34.13 31.17 3kx5 s GLU 348 CO 0.01 0.42 1.35 1.17 0.02 0.00 0.00 175.26 178.22 3kx5 n LYS 349 N -0.04 0.88 0.00 1.61 4.81 -1.26 -1.04 118.16 123.12 3kx5 n LYS 349 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3kx5 n LYS 349 Cb 0.52 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3kx5 n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kx5 n GLY 350 N 2.58 1.12 3.75 3.14 0.00 0.23 -4.94 105.19 111.06 3kx5 n GLY 350 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kx5 n GLY 350 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kx5 n ASP 351 N 0.00 3.89 -4.76 1.61 9.92 -0.21 -4.57 116.55 122.43 3kx5 n ASP 351 Ca 0.00 1.15 -0.38 0.00 -0.53 0.00 0.00 54.79 55.03 3kx5 n ASP 351 Cb 0.00 -1.60 -0.06 0.00 -0.64 0.00 0.00 41.12 38.82 3kx5 n ASP 351 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3kx5 s GLU 352 N -0.60 4.18 0.05 -1.24 2.12 -1.26 -1.36 118.70 120.59 3kx5 s GLU 352 Ca 0.63 0.39 0.07 0.00 0.36 0.00 0.00 54.97 56.42 3kx5 s GLU 352 Cb -0.49 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 3kx5 s GLU 352 CO 0.49 0.36 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.88 3kx5 s LEU 353 N -0.01 2.61 -0.12 2.70 1.43 -0.12 -1.97 118.68 123.20 3kx5 s LEU 353 Ca 0.24 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3kx5 s LEU 353 Cb -0.15 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.56 3kx5 s LEU 353 CO 0.10 0.25 -0.20 -0.32 0.23 0.00 0.00 176.35 176.41 3kx5 s MET 354 N -1.50 2.71 -0.29 1.70 1.75 0.47 -1.00 119.30 123.13 3kx5 s MET 354 Ca 0.15 -0.75 -0.20 0.00 -1.25 0.00 0.00 55.69 53.64 3kx5 s MET 354 Cb -0.10 -2.18 -0.01 0.00 2.84 0.00 0.00 34.83 35.38 3kx5 s MET 354 CO 0.06 0.02 0.62 0.08 -0.65 0.00 0.00 175.02 175.15 3kx5 s VAL 355 N 0.74 4.96 -0.82 10.11 1.01 0.22 0.08 120.40 136.70 3kx5 s VAL 355 Ca -0.10 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 3kx5 s VAL 355 Cb -0.16 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.38 3kx5 s VAL 355 CO 0.01 -0.08 0.97 -0.76 0.00 0.00 0.00 175.10 175.24 3kx5 s LEU 356 N 2.56 5.33 0.21 3.92 1.43 -0.10 -2.98 118.68 129.05 3kx5 s LEU 356 Ca 0.25 -1.92 -0.09 0.00 -1.03 0.00 0.00 54.13 51.34 3kx5 s LEU 356 Cb -0.15 -2.35 0.24 0.00 0.03 0.00 0.00 46.19 43.95 3kx5 s LEU 356 CO 0.11 -1.03 1.82 0.40 0.23 0.00 0.00 176.35 177.87 3kx5 h ILE 357 N 5.69 0.99 -0.56 -0.59 2.04 -1.42 -1.54 117.51 122.11 3kx5 h ILE 357 Ca 0.01 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3kx5 h ILE 357 Cb 1.04 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3kx5 h ILE 357 CO 1.05 0.13 0.37 -0.65 0.00 0.00 0.00 178.15 179.06 3kx5 h PRO 358 N 0.72 0.51 -0.11 2.37 0.11 -1.88 -0.72 132.00 133.01 3kx5 h PRO 358 Ca 0.30 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.20 3kx5 h PRO 358 Cb 0.16 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3kx5 h PRO 358 CO -0.17 0.34 -0.64 1.96 -0.21 0.00 0.00 178.00 179.29 3kx5 h GLN 359 N 0.53 0.62 -0.70 1.05 1.08 -1.63 -3.04 115.11 113.02 3kx5 h GLN 359 Ca 0.24 -0.52 0.15 0.00 -1.45 0.00 0.00 58.65 57.06 3kx5 h GLN 359 Cb 0.28 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.72 3kx5 h GLN 359 CO -0.07 1.14 0.16 1.25 -0.95 0.00 0.00 178.83 180.36 3kx5 h LEU 360 N 0.26 -0.00 0.00 1.46 5.85 -0.78 -1.64 115.31 120.47 3kx5 h LEU 360 Ca -0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kx5 h LEU 360 Cb 1.28 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.50 3kx5 h LEU 360 CO 0.13 -0.03 0.00 1.41 -0.34 0.00 0.00 178.44 179.61 3kx5 n HIS 361 N -5.15 0.00 -1.00 1.25 8.25 -0.32 -2.16 115.22 116.08 3kx5 n HIS 361 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 3kx5 n HIS 361 Cb 0.42 -0.07 0.14 0.00 1.12 0.00 0.00 29.99 31.60 3kx5 n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kx5 n ARG 362 N -1.07 1.55 -2.27 -0.41 1.74 -0.63 -4.87 116.66 110.71 3kx5 n ARG 362 Ca 0.16 -2.54 -0.42 0.00 -0.77 0.00 0.00 57.85 54.29 3kx5 n ARG 362 Cb 0.11 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3kx5 n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3kx5 s ASP 363 N -2.67 6.01 0.53 0.55 -1.08 -0.92 -4.88 116.67 114.22 3kx5 s ASP 363 Ca 0.31 0.59 0.22 0.00 -0.52 0.00 0.00 52.55 53.15 3kx5 s ASP 363 Cb 0.27 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.63 3kx5 s ASP 363 CO 0.03 -1.74 2.14 0.11 0.52 0.00 0.00 175.17 176.23 3kx5 h LYS 364 N 11.84 0.00 0.00 4.34 1.57 -1.92 -0.86 116.57 131.55 3kx5 h LYS 364 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kx5 h LYS 364 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3kx5 h LYS 364 CO 1.14 0.06 0.00 0.25 -0.57 0.00 0.00 179.45 180.33 3kx5 n THR 365 N -4.09 0.88 -0.09 -0.16 -2.24 -1.26 -1.39 114.28 105.92 3kx5 n THR 365 Ca -0.03 0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.80 3kx5 n THR 365 Cb 0.15 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.21 3kx5 n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kx5 n ILE 366 N -1.97 1.05 0.14 2.28 2.08 -0.39 -4.79 119.36 117.76 3kx5 n ILE 366 Ca 0.03 -0.30 0.11 0.00 0.56 0.00 0.00 62.75 63.14 3kx5 n ILE 366 Cb 0.21 -1.59 -0.15 0.00 -0.75 0.00 0.00 39.64 37.37 3kx5 n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3kx5 n TRP 367 N -3.63 0.06 0.00 1.39 7.02 -0.83 -5.00 117.44 116.45 3kx5 n TRP 367 Ca -0.36 0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 3kx5 n TRP 367 Cb 0.79 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 3kx5 n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kx5 n GLY 368 N 1.29 -2.77 0.23 6.99 0.00 -0.49 -4.70 105.19 105.75 3kx5 n GLY 368 Ca -0.03 -2.16 0.15 0.00 0.00 0.00 0.00 46.02 43.98 3kx5 n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kx5 h ASP 369 N 0.00 0.00 -0.69 1.61 3.45 -1.97 -3.32 116.42 115.50 3kx5 h ASP 369 Ca 0.00 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.12 3kx5 h ASP 369 Cb 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 38.57 3kx5 h ASP 369 CO 0.00 0.00 0.43 -0.90 -1.57 0.00 0.00 179.24 177.20 3kx5 n ASP 370 N -2.97 3.61 0.31 6.45 5.75 -1.26 -4.62 116.55 123.82 3kx5 n ASP 370 Ca 0.02 -3.11 0.19 0.00 -0.01 0.00 0.00 54.79 51.89 3kx5 n ASP 370 Cb 0.40 -0.73 1.04 0.00 -1.03 0.00 0.00 41.12 40.79 3kx5 n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 3kx5 h VAL 371 N 0.91 0.00 0.00 2.12 -1.51 -1.87 -1.41 116.25 114.48 3kx5 h VAL 371 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 3kx5 h VAL 371 Cb 2.27 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 3kx5 h VAL 371 CO 0.75 0.00 -0.46 1.21 -1.23 0.00 0.00 177.57 177.84 3kx5 n GLU 372 N -2.90 0.14 -3.16 5.19 4.07 -1.26 -4.88 120.64 117.83 3kx5 n GLU 372 Ca -0.03 0.05 -0.36 0.00 -0.06 0.00 0.00 57.16 56.77 3kx5 n GLU 372 Cb 0.13 -1.59 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 3kx5 n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3kx5 s GLU 373 N -3.08 4.16 -0.59 5.31 8.01 -0.53 -5.03 118.70 126.95 3kx5 s GLU 373 Ca 0.09 0.76 -0.23 0.00 0.01 0.00 0.00 54.97 55.60 3kx5 s GLU 373 Cb 0.16 -2.85 0.05 0.00 -4.31 0.00 0.00 34.13 27.18 3kx5 s GLU 373 CO 0.68 0.39 0.93 0.12 0.01 0.00 0.00 175.26 177.39 3kx5 s PHE 374 N -1.55 2.76 -0.40 1.61 5.36 -1.26 -4.97 117.98 119.53 3kx5 s PHE 374 Ca 0.43 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3kx5 s PHE 374 Cb -0.16 -4.12 0.14 0.00 -0.34 0.00 0.00 43.02 38.54 3kx5 s PHE 374 CO 0.20 -1.45 0.24 1.03 -1.46 0.00 0.00 175.22 173.77 3kx5 s ARG 375 N 3.91 0.91 0.56 10.12 0.52 -1.26 -4.99 118.95 128.73 3kx5 s ARG 375 Ca 0.26 -1.70 0.26 0.00 -0.52 0.00 0.00 55.73 54.03 3kx5 s ARG 375 Cb -0.15 -1.78 1.53 0.00 0.52 0.00 0.00 34.95 35.07 3kx5 s ARG 375 CO 0.15 -1.20 2.08 -1.35 0.02 0.00 0.00 175.30 175.00 3kx5 h PRO 376 N 6.78 0.00 0.00 3.54 0.11 -1.93 -1.67 132.00 138.83 3kx5 h PRO 376 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3kx5 h PRO 376 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3kx5 h PRO 376 CO 0.37 0.00 0.01 0.39 -0.21 0.00 0.00 178.00 178.56 3kx5 n GLU 377 N -4.07 0.06 -0.02 1.05 4.71 -1.26 -0.94 120.64 120.17 3kx5 n GLU 377 Ca 0.03 0.55 0.15 0.00 -0.01 0.00 0.00 57.16 57.88 3kx5 n GLU 377 Cb 0.37 -1.70 0.59 0.00 -1.01 0.00 0.00 31.44 29.68 3kx5 n GLU 377 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kx5 h ARG 378 N 0.00 0.21 -0.63 3.49 3.08 -1.70 -2.25 114.38 116.57 3kx5 h ARG 378 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kx5 h ARG 378 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3kx5 h ARG 378 CO 0.00 0.14 0.00 1.19 -1.07 0.00 0.00 179.97 180.23 3kx5 n PHE 379 N -4.45 1.74 -0.20 3.04 3.72 -0.11 -4.45 117.46 116.74 3kx5 n PHE 379 Ca 0.08 -0.64 -0.08 0.00 -0.05 0.00 0.00 57.45 56.77 3kx5 n PHE 379 Cb 0.43 -0.38 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 3kx5 n PHE 379 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kx5 h GLU 380 N 3.90 0.90 -4.51 -1.08 4.81 -1.56 -3.38 114.58 113.66 3kx5 h GLU 380 Ca 0.00 -0.19 -0.64 0.00 -0.13 0.00 0.00 59.36 58.39 3kx5 h GLU 380 Cb 1.68 -0.13 -0.39 0.00 0.63 0.00 0.00 28.75 30.54 3kx5 h GLU 380 CO 0.36 0.81 -0.75 1.21 -0.73 0.00 0.00 179.01 179.90 3kx5 s ASN 381 N -6.18 4.44 0.36 1.04 2.47 -1.26 -5.01 114.94 110.80 3kx5 s ASN 381 Ca -0.13 -1.76 0.06 0.00 0.42 0.00 0.00 52.86 51.46 3kx5 s ASN 381 Cb 0.13 -1.43 0.75 0.00 -1.45 0.00 0.00 41.25 39.25 3kx5 s ASN 381 CO 0.80 -0.32 1.96 -0.65 -3.72 0.00 0.00 177.10 175.17 3kx5 h PRO 382 N 7.77 0.73 0.00 0.43 0.11 -1.90 -1.89 132.00 137.25 3kx5 h PRO 382 Ca -0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3kx5 h PRO 382 Cb 1.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kx5 h PRO 382 CO 0.48 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 3kx5 n SER 383 N -4.48 0.40 0.08 -2.05 3.41 -1.26 -1.34 113.62 108.38 3kx5 n SER 383 Ca 0.11 0.68 -0.05 0.00 -0.26 0.00 0.00 58.87 59.35 3kx5 n SER 383 Cb 0.23 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 3kx5 n SER 383 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kx5 h ALA 384 N 2.01 0.52 -2.07 7.33 0.00 -1.74 -3.44 119.26 121.86 3kx5 h ALA 384 Ca 0.00 -0.79 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 3kx5 h ALA 384 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kx5 h ALA 384 CO 0.00 1.08 0.95 0.42 0.00 0.00 0.00 179.25 181.70 3kx5 s ILE 385 N -2.93 4.17 0.62 0.00 -1.09 -0.45 -4.99 121.20 116.54 3kx5 s ILE 385 Ca 0.01 1.38 -0.19 0.00 -2.23 0.00 0.00 60.65 59.62 3kx5 s ILE 385 Cb 0.10 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 3kx5 s ILE 385 CO 0.80 -0.27 1.28 -2.84 -1.23 0.00 0.00 174.94 172.68 3kx5 s PRO 386 N 3.83 2.71 0.20 2.79 0.02 -1.26 -4.91 135.00 138.38 3kx5 s PRO 386 Ca 0.57 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 63.30 3kx5 s PRO 386 Cb -0.20 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.27 3kx5 s PRO 386 CO 0.19 -1.47 1.34 0.94 -0.33 0.00 0.00 177.00 177.67 3kx5 n GLN 387 N -1.75 1.72 -1.30 5.54 7.27 -1.26 -2.10 117.38 125.51 3kx5 n GLN 387 Ca 0.15 0.61 -0.10 0.00 0.07 0.00 0.00 57.00 57.73 3kx5 n GLN 387 Cb 0.48 -2.23 -0.04 0.00 2.41 0.00 0.00 30.24 30.86 3kx5 n GLN 387 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3kx5 n HIS 388 N 1.92 0.00 0.04 3.69 8.25 -1.26 -4.87 115.22 122.99 3kx5 n HIS 388 Ca 0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3kx5 n HIS 388 Cb 0.28 -2.20 -0.10 0.00 1.12 0.00 0.00 29.99 29.10 3kx5 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kx5 h ALA 389 N 0.00 0.58 -3.53 -1.41 0.00 -1.79 -3.44 119.26 109.67 3kx5 h ALA 389 Ca -0.21 -1.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.10 3kx5 h ALA 389 Cb 0.85 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.37 3kx5 h ALA 389 CO 0.31 1.20 -0.77 0.12 0.00 0.00 0.00 179.25 180.11 3kx5 s PHE 390 N -2.75 2.21 -0.32 0.00 5.36 -1.26 -4.57 117.98 116.64 3kx5 s PHE 390 Ca -0.01 -1.71 0.16 0.00 -0.96 0.00 0.00 56.93 54.42 3kx5 s PHE 390 Cb 0.09 -1.60 0.46 0.00 -0.34 0.00 0.00 43.02 41.63 3kx5 s PHE 390 CO 0.81 -0.77 1.03 1.63 -1.46 0.00 0.00 175.22 176.45 3kx5 n LYS 391 N 4.72 1.78 0.28 10.12 5.02 -1.26 -4.88 118.16 133.95 3kx5 n LYS 391 Ca -0.09 -3.56 0.19 0.00 -2.02 0.00 0.00 58.31 52.82 3kx5 n LYS 391 Cb 0.44 -1.54 0.85 0.00 -0.02 0.00 0.00 35.03 34.76 3kx5 n LYS 391 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kx5 h PRO 392 N 2.80 0.00 -0.38 1.97 0.13 -1.96 -2.53 132.00 132.03 3kx5 h PRO 392 Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 3kx5 h PRO 392 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3kx5 h PRO 392 CO 0.50 0.00 0.03 1.19 -0.23 0.00 0.00 178.00 179.49 3kx5 n PHE 393 N -2.98 1.35 -3.93 1.56 3.72 -1.26 -4.77 117.46 111.15 3kx5 n PHE 393 Ca -0.01 -0.95 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 3kx5 n PHE 393 Cb 0.21 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 3kx5 n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kx5 n GLY 394 N -0.32 -1.09 2.86 1.37 0.00 -0.96 -0.91 105.19 106.15 3kx5 n GLY 394 Ca 0.26 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3kx5 n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kx5 s ASN 395 N -4.00 0.07 0.87 1.61 2.47 -1.26 -4.85 114.94 109.85 3kx5 s ASN 395 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 3kx5 s ASN 395 Cb 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.78 3kx5 s ASN 395 CO 0.00 -0.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 3kx5 n GLY 396 N 3.25 2.56 0.28 1.21 0.00 -1.26 -1.82 105.19 109.42 3kx5 n GLY 396 Ca -0.15 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.68 3kx5 n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kx5 h GLN 397 N 0.00 0.00 -0.66 1.61 3.07 -2.00 -1.91 115.11 115.22 3kx5 h GLN 397 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 3kx5 h GLN 397 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 3kx5 h GLN 397 CO 0.00 0.00 0.16 0.54 0.09 0.00 0.00 178.83 179.62 3kx5 n ARG 398 N -3.01 4.14 -1.28 0.06 5.12 -0.95 -4.98 116.66 115.76 3kx5 n ARG 398 Ca -0.00 -3.12 -0.30 0.00 -1.93 0.00 0.00 57.85 52.50 3kx5 n ARG 398 Cb 0.23 -2.23 0.13 0.00 -1.16 0.00 0.00 32.46 29.43 3kx5 n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kx5 s ALA 399 N -2.92 1.67 -0.14 7.54 0.00 -0.72 -4.40 121.76 122.79 3kx5 s ALA 399 Ca 0.55 -0.11 -0.33 0.00 0.00 0.00 0.00 51.96 52.06 3kx5 s ALA 399 Cb 0.43 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 20.28 3kx5 s ALA 399 CO 0.14 -2.25 1.98 0.00 0.00 0.00 0.00 175.76 175.63 3kx5 h ILE 401 N 5.94 0.00 -0.44 0.00 2.10 -1.91 -3.15 117.51 120.04 3kx5 h ILE 401 Ca -0.45 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 64.97 3kx5 h ILE 401 Cb 1.27 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 3kx5 h ILE 401 CO 0.96 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.64 3kx5 n GLY 402 N 0.49 1.33 0.14 8.18 0.00 -1.26 -4.57 105.19 109.49 3kx5 n GLY 402 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 3kx5 n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kx5 h GLN 403 N 2.63 0.31 -0.23 1.61 4.15 -1.89 0.95 115.11 122.64 3kx5 h GLN 403 Ca 0.00 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3kx5 h GLN 403 Cb 0.73 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3kx5 h GLN 403 CO 0.05 0.21 -0.27 1.96 -1.93 0.00 0.00 178.83 178.84 3kx5 h GLN 404 N 0.32 0.44 -0.04 1.69 4.20 -1.81 -1.54 115.11 118.36 3kx5 h GLN 404 Ca 0.12 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kx5 h GLN 404 Cb 0.02 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kx5 h GLN 404 CO -0.07 0.68 0.01 0.35 -0.67 0.00 0.00 178.83 179.12 3kx5 h PHE 405 N 0.38 0.07 -0.30 2.96 3.04 -1.62 -1.27 116.94 120.20 3kx5 h PHE 405 Ca 0.05 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.02 3kx5 h PHE 405 Cb 0.68 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 3kx5 h PHE 405 CO 0.02 0.26 0.14 0.00 -2.02 0.00 0.00 178.31 176.71 3kx5 h ALA 406 N 0.80 0.36 -0.16 2.41 0.00 -0.63 -0.91 119.26 121.15 3kx5 h ALA 406 Ca 0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3kx5 h ALA 406 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kx5 h ALA 406 CO -0.00 -0.25 -0.53 -0.07 0.00 0.00 0.00 179.25 178.40 3kx5 h LEU 407 N 0.29 0.50 -0.09 0.00 3.38 -1.26 0.22 115.31 118.36 3kx5 h LEU 407 Ca 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kx5 h LEU 407 Cb 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kx5 h LEU 407 CO -0.10 0.94 0.00 -0.74 0.09 0.00 0.00 178.44 178.62 3kx5 h HIS 408 N 0.36 0.17 -0.08 1.13 2.76 -1.01 -0.55 115.15 117.92 3kx5 h HIS 408 Ca 0.01 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3kx5 h HIS 408 Cb 1.04 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 3kx5 h HIS 408 CO 0.04 0.41 -0.19 1.49 -1.30 0.00 0.00 177.93 178.37 3kx5 h GLU 409 N -0.12 -0.26 -0.34 5.26 4.57 -1.10 -0.92 114.58 121.67 3kx5 h GLU 409 Ca 0.03 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 3kx5 h GLU 409 Cb 0.34 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3kx5 h GLU 409 CO 0.00 -0.18 -0.23 0.00 -1.18 0.00 0.00 179.01 177.43 3kx5 h ALA 410 N 0.69 0.96 -0.27 2.92 0.00 -0.89 -1.39 119.26 121.29 3kx5 h ALA 410 Ca 0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3kx5 h ALA 410 Cb 0.39 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kx5 h ALA 410 CO -0.24 0.60 -0.25 1.15 0.00 0.00 0.00 179.25 180.51 3kx5 h THR 411 N 0.58 1.31 -0.02 0.00 2.02 -0.96 -0.78 112.91 115.06 3kx5 h THR 411 Ca 0.08 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.86 3kx5 h THR 411 Cb 0.71 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3kx5 h THR 411 CO 0.05 0.45 -0.08 0.25 0.37 0.00 0.00 175.52 176.56 3kx5 h LEU 412 N 0.37 -0.24 -0.15 2.58 5.85 -1.06 -1.25 115.31 121.41 3kx5 h LEU 412 Ca 0.04 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3kx5 h LEU 412 Cb 0.81 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3kx5 h LEU 412 CO 0.06 -0.12 -0.30 0.58 -0.34 0.00 0.00 178.44 178.33 3kx5 h VAL 413 N -0.14 1.36 -0.74 1.05 2.07 -1.23 -0.72 116.25 117.90 3kx5 h VAL 413 Ca 0.04 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 3kx5 h VAL 413 Cb 0.19 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3kx5 h VAL 413 CO -0.10 0.46 0.26 0.25 0.02 0.00 0.00 177.57 178.46 3kx5 h LEU 414 N 0.10 1.05 -0.26 2.57 5.85 -1.19 -0.02 115.31 123.41 3kx5 h LEU 414 Ca 0.01 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3kx5 h LEU 414 Cb 0.89 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3kx5 h LEU 414 CO 0.07 0.96 0.11 1.23 -0.34 0.00 0.00 178.44 180.46 3kx5 h GLY 415 N 1.12 0.33 1.11 3.75 0.00 -1.07 -0.97 103.07 107.34 3kx5 h GLY 415 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3kx5 h GLY 415 CO -0.01 0.05 0.14 -0.33 0.00 0.00 0.00 176.54 176.39 3kx5 h MET 416 N 0.23 1.10 -0.40 4.80 2.86 -0.79 -1.09 114.93 121.63 3kx5 h MET 416 Ca 0.11 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3kx5 h MET 416 Cb 0.06 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3kx5 h MET 416 CO -0.10 0.98 0.21 0.52 1.06 0.00 0.00 176.91 179.58 3kx5 h MET 417 N 1.04 0.41 0.00 1.72 2.07 -0.74 -1.94 114.93 117.48 3kx5 h MET 417 Ca 0.21 -0.02 -0.11 0.00 -2.07 0.00 0.00 59.70 57.71 3kx5 h MET 417 Cb 0.40 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 3kx5 h MET 417 CO 0.01 0.27 -0.52 -0.07 1.07 0.00 0.00 176.91 177.67 3kx5 h LEU 418 N 0.42 0.00 -0.39 1.22 3.38 -0.92 -2.19 115.31 116.83 3kx5 h LEU 418 Ca 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3kx5 h LEU 418 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kx5 h LEU 418 CO -0.11 0.52 -0.29 0.50 0.09 0.00 0.00 178.44 179.15 3kx5 h LYS 419 N 0.00 0.88 0.00 1.13 3.64 -0.97 -3.36 116.57 117.89 3kx5 h LYS 419 Ca -0.01 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3kx5 h LYS 419 Cb 0.94 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kx5 h LYS 419 CO 0.07 1.08 -1.16 0.72 -2.27 0.00 0.00 179.45 177.89 3kx5 n HIS 420 N -4.15 0.16 -3.90 1.91 8.25 -0.75 -4.85 115.22 111.89 3kx5 n HIS 420 Ca -0.02 0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 3kx5 n HIS 420 Cb 0.49 -0.35 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 3kx5 n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kx5 s PHE 421 N -3.20 0.10 0.09 4.41 0.08 -0.84 -1.11 117.98 117.50 3kx5 s PHE 421 Ca 0.03 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 3kx5 s PHE 421 Cb 0.15 -0.08 -0.06 0.00 -0.57 0.00 0.00 43.02 42.45 3kx5 s PHE 421 CO 0.83 -0.24 0.43 -0.51 -0.10 0.00 0.00 175.22 175.63 3kx5 s ASP 422 N -1.29 6.69 -0.03 1.36 1.01 0.04 -4.67 116.67 119.78 3kx5 s ASP 422 Ca -0.14 0.85 0.06 0.00 0.71 0.00 0.00 52.55 54.03 3kx5 s ASP 422 Cb -0.08 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 3kx5 s ASP 422 CO 0.01 0.17 -0.20 -0.36 0.21 0.00 0.00 175.17 175.00 3kx5 s PHE 423 N -1.39 2.52 -0.10 4.23 0.40 -1.26 -0.74 117.98 121.65 3kx5 s PHE 423 Ca 0.33 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 3kx5 s PHE 423 Cb -0.14 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3kx5 s PHE 423 CO 0.18 0.08 -0.21 -2.00 0.70 0.00 0.00 175.22 173.97 3kx5 s GLU 424 N -0.70 2.71 -1.35 0.44 2.12 0.40 -4.98 118.70 117.34 3kx5 s GLU 424 Ca 0.11 -0.76 -0.14 0.00 0.36 0.00 0.00 54.97 54.54 3kx5 s GLU 424 Cb -0.10 -2.09 0.09 0.00 0.26 0.00 0.00 34.13 32.29 3kx5 s GLU 424 CO -0.00 0.12 1.93 -3.47 -0.54 0.00 0.00 175.26 173.30 3kx5 n ASP 425 N 3.67 4.57 0.25 -1.70 2.03 -1.26 -1.76 116.55 122.34 3kx5 n ASP 425 Ca -0.20 -2.94 0.12 0.00 0.52 0.00 0.00 54.79 52.30 3kx5 n ASP 425 Cb 0.52 -1.63 0.59 0.00 -0.72 0.00 0.00 41.12 39.88 3kx5 n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3kx5 h HIS 426 N 6.49 0.00 -0.17 -0.67 2.07 -1.94 -2.69 115.15 118.24 3kx5 h HIS 426 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 3kx5 h HIS 426 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 3kx5 h HIS 426 CO 1.36 0.16 0.00 0.25 -3.07 0.00 0.00 177.93 176.63 3kx5 n THR 427 N -3.39 0.22 -3.69 6.12 -2.24 -1.26 -4.97 114.28 105.07 3kx5 n THR 427 Ca -0.00 -0.61 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 3kx5 n THR 427 Cb 0.35 1.24 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 3kx5 n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kx5 n ASN 428 N 1.29 -3.35 -4.65 3.42 2.85 -1.01 -4.81 115.26 108.99 3kx5 n ASN 428 Ca 0.15 -0.92 -0.47 0.00 -0.11 0.00 0.00 54.58 53.23 3kx5 n ASN 428 Cb 0.56 -3.72 -0.04 0.00 1.24 0.00 0.00 39.78 37.82 3kx5 n ASN 428 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kx5 n TYR 429 N -4.15 2.11 -3.49 1.20 9.36 -1.26 -4.97 117.16 115.96 3kx5 n TYR 429 Ca -0.19 0.36 -0.38 0.00 3.32 0.00 0.00 57.90 61.01 3kx5 n TYR 429 Cb 0.64 -2.49 -0.10 0.00 -0.63 0.00 0.00 39.34 36.76 3kx5 n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3kx5 s GLU 430 N 0.59 4.00 -0.08 2.98 2.12 -1.26 -5.02 118.70 122.02 3kx5 s GLU 430 Ca 0.78 -0.13 -0.36 0.00 0.36 0.00 0.00 54.97 55.62 3kx5 s GLU 430 Cb -0.72 -3.65 -0.13 0.00 0.26 0.00 0.00 34.13 29.89 3kx5 s GLU 430 CO 0.41 -0.21 1.76 -0.11 -0.54 0.00 0.00 175.26 176.58 3kx5 n LEU 431 N 5.13 3.01 -3.78 2.70 7.94 -1.26 -4.96 117.00 125.78 3kx5 n LEU 431 Ca -0.11 1.02 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 3kx5 n LEU 431 Cb 0.51 -1.31 -0.17 0.00 0.53 0.00 0.00 43.42 42.98 3kx5 n LEU 431 CO 0.35 -0.25 -0.38 -0.62 -1.11 0.00 0.00 177.39 175.38 3kx5 s ASP 432 N 3.20 2.25 -0.36 1.96 2.15 -1.26 -5.08 116.67 119.54 3kx5 s ASP 432 Ca 0.91 -0.44 -0.13 0.00 0.43 0.00 0.00 52.55 53.32 3kx5 s ASP 432 Cb -0.80 -0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 41.24 3kx5 s ASP 432 CO 0.52 -0.23 0.26 -0.63 -0.17 0.00 0.00 175.17 174.92 3kx5 s ILE 433 N 1.88 5.28 0.18 4.11 1.01 -1.26 0.23 121.20 132.62 3kx5 s ILE 433 Ca 0.02 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 3kx5 s ILE 433 Cb -0.14 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 3kx5 s ILE 433 CO -0.07 -0.09 0.79 -0.75 0.00 0.00 0.00 174.94 174.82 3kx5 s LYS 434 N 1.71 4.58 -0.14 2.79 2.20 0.40 -4.89 119.74 126.39 3kx5 s LYS 434 Ca 0.06 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.85 3kx5 s LYS 434 Cb -0.18 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3kx5 s LYS 434 CO 0.10 0.55 -0.18 -1.21 -0.36 0.00 0.00 175.35 174.26 3kx5 s GLU 435 N -1.21 3.15 0.00 4.03 2.02 -1.26 -2.21 118.70 123.22 3kx5 s GLU 435 Ca 0.37 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3kx5 s GLU 435 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3kx5 s GLU 435 CO 0.26 0.04 0.00 0.25 0.02 0.00 0.00 175.26 175.83 3kx5 n THR 436 N 3.98 0.00 0.24 3.63 -2.24 -1.26 -4.92 114.28 113.71 3kx5 n THR 436 Ca -0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3kx5 n THR 436 Cb 0.52 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.28 3kx5 n THR 436 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kx5 h LEU 437 N 0.00 0.00 0.00 3.22 5.85 -1.97 -3.47 115.31 118.94 3kx5 h LEU 437 Ca 0.00 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 3kx5 h LEU 437 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3kx5 h LEU 437 CO 0.00 0.13 -0.38 0.35 -0.34 0.00 0.00 178.44 178.20 3kx5 n THR 438 N -3.27 0.00 -4.69 1.05 -2.24 -1.26 -4.77 114.28 99.10 3kx5 n THR 438 Ca 0.00 -1.92 -0.32 0.00 -2.27 0.00 0.00 64.05 59.55 3kx5 n THR 438 Cb 0.39 0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 69.13 3kx5 n THR 438 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kx5 s LEU 439 N 0.00 2.87 0.07 3.22 1.43 -0.76 -4.39 118.68 121.12 3kx5 s LEU 439 Ca 0.14 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 3kx5 s LEU 439 Cb 0.01 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.64 3kx5 s LEU 439 CO 0.10 0.31 0.45 -1.59 0.23 0.00 0.00 176.35 175.85 3kx5 s LYS 440 N -1.11 1.01 -0.69 1.70 -2.85 -0.94 -4.62 119.74 112.25 3kx5 s LYS 440 Ca 0.14 -0.41 -0.27 0.00 -1.00 0.00 0.00 55.97 54.43 3kx5 s LYS 440 Cb -0.11 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.14 3kx5 s LYS 440 CO 0.04 -0.37 1.36 -2.14 0.10 0.00 0.00 175.35 174.34 3kx5 s PRO 441 N -2.86 3.16 0.12 1.78 0.02 -1.26 -0.45 135.00 135.50 3kx5 s PRO 441 Ca -0.03 -0.02 -0.31 0.00 0.02 0.00 0.00 61.00 60.66 3kx5 s PRO 441 Cb -0.00 -4.19 -0.08 0.00 0.02 0.00 0.00 34.50 30.25 3kx5 s PRO 441 CO -0.05 -2.16 1.46 -2.00 -0.33 0.00 0.00 177.00 173.91 3kx5 s GLU 442 N 5.82 4.28 -0.14 5.54 2.56 0.14 -3.29 118.70 133.60 3kx5 s GLU 442 Ca 0.42 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.55 3kx5 s GLU 442 Cb -0.09 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.78 3kx5 s GLU 442 CO 0.18 -0.51 0.00 0.41 -0.56 0.00 0.00 175.26 174.77 3kx5 n GLY 443 N 3.61 0.50 3.65 -1.50 0.00 -1.26 -4.51 105.19 105.68 3kx5 n GLY 443 Ca 0.13 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3kx5 n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kx5 s PHE 444 N -1.92 1.96 0.05 1.61 5.36 -1.21 -4.99 117.98 118.84 3kx5 s PHE 444 Ca 0.00 0.26 0.05 0.00 -0.96 0.00 0.00 56.93 56.28 3kx5 s PHE 444 Cb 0.00 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 38.72 3kx5 s PHE 444 CO 0.00 -3.72 -0.15 0.14 -1.46 0.00 0.00 175.22 170.03 3kx5 s VAL 445 N 4.39 1.17 0.18 3.12 -7.23 -1.26 -1.58 120.40 119.19 3kx5 s VAL 445 Ca 0.74 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 3kx5 s VAL 445 Cb -0.32 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3kx5 s VAL 445 CO 0.30 -0.04 0.19 0.68 -0.31 0.00 0.00 175.10 175.92 3kx5 s VAL 446 N -0.96 0.04 -0.07 1.32 -7.23 -0.95 -4.65 120.40 107.91 3kx5 s VAL 446 Ca 0.01 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3kx5 s VAL 446 Cb -0.08 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 3kx5 s VAL 446 CO 0.02 -0.19 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.98 3kx5 s LYS 447 N -4.07 2.79 -0.22 4.82 1.02 -0.72 -0.45 119.74 122.92 3kx5 s LYS 447 Ca 0.28 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.68 3kx5 s LYS 447 Cb 0.05 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.84 3kx5 s LYS 447 CO 0.06 0.59 -0.14 0.00 -0.92 0.00 0.00 175.35 174.94 3kx5 s ALA 448 N -0.63 2.48 -0.30 5.17 0.00 -1.26 -0.45 121.76 126.77 3kx5 s ALA 448 Ca 0.09 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 3kx5 s ALA 448 Cb -0.11 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 3kx5 s ALA 448 CO 0.02 -0.69 0.53 0.15 0.00 0.00 0.00 175.76 175.77 3kx5 s LYS 449 N 1.24 3.87 0.38 0.00 -0.14 0.08 -4.91 119.74 120.26 3kx5 s LYS 449 Ca -0.00 0.12 -0.28 0.00 -1.36 0.00 0.00 55.97 54.45 3kx5 s LYS 449 Cb -0.16 -3.73 -0.11 0.00 -1.68 0.00 0.00 37.83 32.16 3kx5 s LYS 449 CO -0.09 -0.50 1.50 0.45 -0.76 0.00 0.00 175.35 175.95 3kx5 s SER 450 N 1.66 6.29 0.00 2.83 0.15 -1.26 -0.78 113.70 122.58 3kx5 s SER 450 Ca 0.21 3.07 0.28 0.00 0.70 0.00 0.00 55.95 60.21 3kx5 s SER 450 Cb -0.15 -2.67 1.25 0.00 -1.71 0.00 0.00 66.02 62.73 3kx5 s SER 450 CO 0.11 -0.91 1.85 0.29 1.20 0.00 0.00 173.24 175.78 3kx5 n LYS 451 N 0.40 1.49 -3.62 5.44 5.02 -0.27 -4.85 118.16 121.77 3kx5 n LYS 451 Ca 0.01 -0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 55.39 3kx5 n LYS 451 Cb 0.39 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.97 3kx5 n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kx5 n LYS 452 N -0.13 -5.31 -3.78 1.97 5.02 -1.26 -4.99 118.16 109.68 3kx5 n LYS 452 Ca 0.20 0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 56.81 3kx5 n LYS 452 Cb 0.29 -5.36 -0.11 0.00 -0.02 0.00 0.00 35.03 29.82 3kx5 n LYS 452 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kx5 s ILE 453 N -3.58 4.78 0.27 -0.18 1.01 -1.26 -5.07 121.20 117.18 3kx5 s ILE 453 Ca 0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3kx5 s ILE 453 Cb -0.00 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 39.11 3kx5 s ILE 453 CO 0.79 0.35 1.12 -2.65 0.00 0.00 0.00 174.94 174.56 3kx5 n PRO 454 N 4.49 1.52 -4.32 2.79 -0.02 -1.26 -4.99 135.00 133.21 3kx5 n PRO 454 Ca -0.16 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 3kx5 n PRO 454 Cb 0.52 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.87 3kx5 n PRO 454 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kx5 s LEU 455 N 0.21 2.90 0.84 2.45 2.96 -1.26 -4.75 118.68 122.02 3kx5 s LEU 455 Ca 0.61 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 3kx5 s LEU 455 Cb -0.70 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.39 3kx5 s LEU 455 CO 0.58 0.09 1.10 -0.83 -1.32 0.00 0.00 176.35 175.97 3kx5 s GLY 456 N 0.84 1.61 0.46 7.98 0.00 -0.97 -5.00 107.32 112.24 3kx5 s GLY 456 Ca -0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 3kx5 s GLY 456 CO 0.01 0.21 0.93 -0.32 0.00 0.00 0.00 173.10 173.93 3kx5 s GLY 457 N -3.86 2.18 0.33 0.20 0.00 -1.26 -4.83 107.32 100.08 3kx5 s GLY 457 Ca 0.62 0.20 0.06 0.00 0.00 0.00 0.00 44.72 45.59 3kx5 s GLY 457 CO 0.54 0.46 0.01 -0.42 0.00 0.00 0.00 173.10 173.69 3kx5 s ILE 458 N -2.39 1.53 -2.00 0.90 -1.09 -1.26 -4.97 121.20 111.92 3kx5 s ILE 458 Ca 0.59 -2.05 0.09 0.00 -2.23 0.00 0.00 60.65 57.05 3kx5 s ILE 458 Cb -0.10 -2.72 0.25 0.00 -1.58 0.00 0.00 42.46 38.32 3kx5 s ILE 458 CO 0.24 -0.11 0.98 -0.81 -1.23 0.00 0.00 174.94 174.02