#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx3 s GLU 4 N 0.00 4.34 0.11 1.64 2.12 -1.26 -4.72 118.70 120.94 3kx3 s GLU 4 Ca 0.00 0.92 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 3kx3 s GLU 4 Cb 0.00 -3.53 -0.06 0.00 0.26 0.00 0.00 34.13 30.80 3kx3 s GLU 4 CO 0.00 -0.17 0.94 1.41 -0.54 0.00 0.00 175.26 176.90 3kx3 s MET 5 N 1.59 4.69 0.82 4.30 -2.45 -1.26 -5.03 119.30 121.96 3kx3 s MET 5 Ca 0.37 1.41 -0.13 0.00 -1.25 0.00 0.00 55.69 56.10 3kx3 s MET 5 Cb -0.17 -3.37 0.09 0.00 1.25 0.00 0.00 34.83 32.64 3kx3 s MET 5 CO 0.15 0.25 1.19 -2.14 1.05 0.00 0.00 175.02 175.51 3kx3 s PRO 6 N -0.11 1.56 -0.14 4.11 0.02 -1.26 -4.73 135.00 134.45 3kx3 s PRO 6 Ca 0.46 1.69 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 3kx3 s PRO 6 Cb -0.23 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3kx3 s PRO 6 CO 0.29 -2.26 0.38 -1.14 -0.33 0.00 0.00 177.00 173.95 3kx3 s GLN 7 N -4.26 0.44 1.12 5.54 0.74 -1.26 -0.60 119.66 121.37 3kx3 s GLN 7 Ca 0.71 0.54 -0.18 0.00 0.05 0.00 0.00 55.36 56.48 3kx3 s GLN 7 Cb -0.27 0.20 0.26 0.00 1.10 0.00 0.00 33.01 34.30 3kx3 s GLN 7 CO 0.52 -0.06 1.21 -1.25 -0.55 0.00 0.00 175.29 175.16 3kx3 s PRO 8 N 0.26 -0.57 0.65 1.67 0.04 -1.26 -4.95 135.00 130.84 3kx3 s PRO 8 Ca -0.01 -0.29 -0.16 0.00 0.04 0.00 0.00 61.00 60.58 3kx3 s PRO 8 Cb -0.03 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 3kx3 s PRO 8 CO -0.00 -3.24 1.16 -1.59 0.04 0.00 0.00 177.00 173.37 3kx3 s LYS 9 N -5.67 2.72 0.32 4.56 -2.85 -1.26 -4.95 119.74 112.61 3kx3 s LYS 9 Ca 0.73 1.63 0.09 0.00 -1.00 0.00 0.00 55.97 57.42 3kx3 s LYS 9 Cb -0.06 -1.92 -0.05 0.00 -2.06 0.00 0.00 37.83 33.74 3kx3 s LYS 9 CO 0.55 -1.36 0.04 0.95 0.10 0.00 0.00 175.35 175.63 3kx3 s THR 10 N -1.99 2.94 -0.44 3.79 -4.23 -1.26 -4.61 115.64 109.84 3kx3 s THR 10 Ca 0.72 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.44 3kx3 s THR 10 Cb -0.26 -2.85 0.39 0.00 1.34 0.00 0.00 72.50 71.12 3kx3 s THR 10 CO 0.39 -0.24 0.93 0.49 -0.54 0.00 0.00 174.62 175.65 3kx3 n PHE 11 N -0.99 2.32 -0.10 3.99 3.01 -0.08 -4.97 117.46 120.65 3kx3 n PHE 11 Ca -0.04 -3.49 0.00 0.00 1.01 0.00 0.00 57.45 54.92 3kx3 n PHE 11 Cb 0.61 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3kx3 n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kx3 n GLY 12 N -0.13 3.29 0.05 1.37 0.00 -1.26 -1.60 105.19 106.92 3kx3 n GLY 12 Ca 0.27 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3kx3 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kx3 n GLU 13 N 14.00 0.08 0.00 1.61 -0.58 -1.26 -0.54 120.64 133.95 3kx3 n GLU 13 Ca 0.00 0.29 0.14 0.00 -0.42 0.00 0.00 57.16 57.17 3kx3 n GLU 13 Cb 0.00 -1.65 0.65 0.00 -0.57 0.00 0.00 31.44 29.87 3kx3 n GLU 13 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kx3 n LEU 14 N -1.81 0.03 0.00 -4.62 4.77 -0.62 -4.64 117.00 110.11 3kx3 n LEU 14 Ca 0.03 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3kx3 n LEU 14 Cb 0.22 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3kx3 n LEU 14 CO 0.18 0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.53 3kx3 n LYS 15 N -1.43 0.00 -0.01 3.23 5.02 0.30 -1.65 118.16 123.62 3kx3 n LYS 15 Ca 0.09 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 3kx3 n LYS 15 Cb 0.31 0.00 0.39 0.00 -0.02 0.00 0.00 35.03 35.72 3kx3 n LYS 15 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kx3 n ASN 16 N 5.36 1.96 -0.32 4.39 5.03 0.30 -0.90 115.26 131.08 3kx3 n ASN 16 Ca 0.00 -1.66 0.04 0.00 0.87 0.00 0.00 54.58 53.83 3kx3 n ASN 16 Cb 0.00 -0.01 0.19 0.00 -1.02 0.00 0.00 39.78 38.94 3kx3 n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 3kx3 h LEU 17 N 3.05 0.80 -2.11 3.41 5.85 -1.30 -0.11 115.31 124.91 3kx3 h LEU 17 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kx3 h LEU 17 Cb 0.65 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kx3 h LEU 17 CO 0.00 0.46 0.00 -0.65 -0.34 0.00 0.00 178.44 177.91 3kx3 h PRO 18 N 0.91 0.00 0.00 5.25 0.11 -1.81 -1.04 132.00 135.42 3kx3 h PRO 18 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kx3 h PRO 18 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3kx3 h PRO 18 CO -0.24 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.48 3kx3 h LEU 19 N 0.00 0.00 -1.26 2.35 3.38 -1.36 -1.77 115.31 116.65 3kx3 h LEU 19 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kx3 h LEU 19 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kx3 h LEU 19 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3kx3 n LEU 20 N -2.98 1.89 -4.08 1.67 4.77 -0.39 -4.63 117.00 113.24 3kx3 n LEU 20 Ca -0.01 -0.82 -0.40 0.00 -0.03 0.00 0.00 56.01 54.75 3kx3 n LEU 20 Cb 0.18 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3kx3 n LEU 20 CO 0.23 0.41 2.15 0.59 -1.33 0.00 0.00 177.39 179.44 3kx3 n ASN 21 N 0.48 3.70 -3.53 -1.43 3.02 -0.67 -4.67 115.26 112.15 3kx3 n ASN 21 Ca 0.16 -2.80 -0.14 0.00 -0.03 0.00 0.00 54.58 51.77 3kx3 n ASN 21 Cb 0.35 -1.57 -0.05 0.00 -0.61 0.00 0.00 39.78 37.90 3kx3 n ASN 21 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kx3 s THR 22 N 5.31 0.00 -1.77 3.41 -1.32 -1.26 -5.02 115.64 114.99 3kx3 s THR 22 Ca 0.55 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.32 3kx3 s THR 22 Cb 0.09 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.62 3kx3 s THR 22 CO 0.05 0.00 1.92 -0.90 -2.21 0.00 0.00 174.62 173.47 3kx3 n ASP 23 N 0.68 0.47 -3.17 8.08 5.68 -1.26 -4.20 116.55 122.83 3kx3 n ASP 23 Ca -0.15 -0.71 -0.25 0.00 -0.50 0.00 0.00 54.79 53.18 3kx3 n ASP 23 Cb 0.58 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 3kx3 n ASP 23 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kx3 n LYS 24 N -0.87 2.24 -0.11 0.11 5.02 -1.26 -4.21 118.16 119.07 3kx3 n LYS 24 Ca 0.16 -4.29 -0.09 0.00 -2.02 0.00 0.00 58.31 52.07 3kx3 n LYS 24 Cb 0.26 -1.99 0.06 0.00 -0.02 0.00 0.00 35.03 33.33 3kx3 n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kx3 h PRO 25 N 3.50 0.85 -0.76 1.97 0.13 -1.90 -1.43 132.00 134.36 3kx3 h PRO 25 Ca 0.14 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3kx3 h PRO 25 Cb 0.69 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 3kx3 h PRO 25 CO 0.71 0.99 0.31 0.28 -0.23 0.00 0.00 178.00 180.06 3kx3 h VAL 26 N 0.74 1.25 -0.03 1.56 2.07 -1.96 0.82 116.25 120.71 3kx3 h VAL 26 Ca 0.10 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 3kx3 h VAL 26 Cb 0.75 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3kx3 h VAL 26 CO 0.06 0.32 -0.52 1.56 0.02 0.00 0.00 177.57 179.01 3kx3 h GLN 27 N 1.10 0.08 -0.32 1.57 4.20 -1.93 0.11 115.11 119.93 3kx3 h GLN 27 Ca 0.26 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 3kx3 h GLN 27 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3kx3 h GLN 27 CO -0.02 0.58 -0.33 0.00 -0.67 0.00 0.00 178.83 178.39 3kx3 h ALA 28 N 1.41 0.84 -0.40 3.87 0.00 -0.66 -2.11 119.26 122.21 3kx3 h ALA 28 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 3kx3 h ALA 28 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kx3 h ALA 28 CO 0.07 0.64 -0.23 -0.07 0.00 0.00 0.00 179.25 179.66 3kx3 h LEU 29 N 0.58 0.82 -0.95 0.00 3.38 -0.06 -2.20 115.31 116.88 3kx3 h LEU 29 Ca 0.06 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3kx3 h LEU 29 Cb 0.84 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3kx3 h LEU 29 CO 0.07 1.02 0.62 0.24 0.09 0.00 0.00 178.44 180.49 3kx3 h MET 30 N 0.70 1.18 -0.44 1.13 2.86 -0.58 0.56 114.93 120.34 3kx3 h MET 30 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3kx3 h MET 30 Cb 0.76 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3kx3 h MET 30 CO 0.06 0.78 -0.03 -0.22 1.06 0.00 0.00 176.91 178.56 3kx3 h LYS 31 N 1.21 0.73 -0.36 1.72 3.64 -1.08 -0.26 116.57 122.18 3kx3 h LYS 31 Ca 0.38 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3kx3 h LYS 31 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3kx3 h LYS 31 CO -0.12 0.77 -0.08 0.82 -2.27 0.00 0.00 179.45 178.57 3kx3 h ILE 32 N 0.68 1.28 -0.99 2.00 2.04 -0.80 -2.08 117.51 119.65 3kx3 h ILE 32 Ca 0.13 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.87 3kx3 h ILE 32 Cb 0.47 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3kx3 h ILE 32 CO 0.02 0.38 0.65 0.00 0.00 0.00 0.00 178.15 179.20 3kx3 h ALA 33 N 0.82 1.27 -0.90 1.87 0.00 -0.62 0.33 119.26 122.03 3kx3 h ALA 33 Ca 0.09 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3kx3 h ALA 33 Cb 0.58 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3kx3 h ALA 33 CO 0.03 0.61 0.58 -0.44 0.00 0.00 0.00 179.25 180.03 3kx3 h ASP 34 N 1.31 0.86 0.21 0.00 3.32 -0.64 0.15 116.42 121.62 3kx3 h ASP 34 Ca 0.37 0.02 -0.31 0.00 0.02 0.00 0.00 57.03 57.13 3kx3 h ASP 34 Cb -0.10 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 39.32 3kx3 h ASP 34 CO -0.09 0.53 -1.33 -0.33 -1.72 0.00 0.00 179.24 176.30 3kx3 h GLU 35 N 0.96 0.54 0.00 3.56 5.08 -0.60 -3.39 114.58 120.74 3kx3 h GLU 35 Ca 0.40 -0.85 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3kx3 h GLU 35 Cb 0.30 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kx3 h GLU 35 CO -0.16 1.40 -1.69 1.28 -1.00 0.00 0.00 179.01 178.83 3kx3 n LEU 36 N -3.80 0.27 0.00 1.33 4.77 0.11 -5.09 117.00 114.58 3kx3 n LEU 36 Ca -0.16 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3kx3 n LEU 36 Cb 1.04 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3kx3 n LEU 36 CO 0.59 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3kx3 n GLY 37 N 1.30 -0.60 0.13 -0.72 0.00 0.50 -4.67 105.19 101.13 3kx3 n GLY 37 Ca -0.02 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.21 3kx3 n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kx3 h GLU 38 N 0.00 0.00 -2.81 1.61 4.11 -1.93 -3.43 114.58 112.13 3kx3 h GLU 38 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 3kx3 h GLU 38 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 3kx3 h GLU 38 CO 0.00 0.00 -0.29 -1.50 0.07 0.00 0.00 179.01 177.29 3kx3 s ILE 39 N -3.26 -0.00 0.07 -1.06 2.07 -1.26 -0.95 121.20 116.81 3kx3 s ILE 39 Ca 0.06 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 3kx3 s ILE 39 Cb 0.10 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 42.16 3kx3 s ILE 39 CO 0.48 0.01 0.18 0.72 -1.91 0.00 0.00 174.94 174.41 3kx3 s PHE 40 N 0.40 0.14 0.05 3.50 -0.71 -0.76 -4.26 117.98 116.33 3kx3 s PHE 40 Ca -0.02 -0.52 -0.11 0.00 -1.04 0.00 0.00 56.93 55.24 3kx3 s PHE 40 Cb -0.04 -0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.65 3kx3 s PHE 40 CO -0.02 -0.50 0.40 0.21 -1.34 0.00 0.00 175.22 173.97 3kx3 s LYS 41 N -3.50 3.80 -0.13 1.99 2.20 0.23 -0.70 119.74 123.63 3kx3 s LYS 41 Ca 0.02 0.24 -0.00 0.00 -0.36 0.00 0.00 55.97 55.87 3kx3 s LYS 41 Cb 0.03 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.31 3kx3 s LYS 41 CO -0.09 0.61 -0.07 0.12 -0.36 0.00 0.00 175.35 175.55 3kx3 s PHE 42 N -1.29 1.61 -0.04 4.03 2.19 0.32 -4.26 117.98 120.55 3kx3 s PHE 42 Ca 0.30 -0.89 0.05 0.00 0.33 0.00 0.00 56.93 56.72 3kx3 s PHE 42 Cb -0.15 -1.29 -0.02 0.00 -1.31 0.00 0.00 43.02 40.25 3kx3 s PHE 42 CO 0.16 -0.56 -0.17 -1.21 1.83 0.00 0.00 175.22 175.27 3kx3 s GLU 43 N 1.67 2.40 0.28 10.12 2.02 -1.26 -0.93 118.70 132.99 3kx3 s GLU 43 Ca 0.04 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.33 3kx3 s GLU 43 Cb -0.13 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 3kx3 s GLU 43 CO -0.08 0.61 -0.03 0.00 0.02 0.00 0.00 175.26 175.78 3kx3 s ALA 44 N -0.70 2.24 0.09 5.21 0.00 0.20 -0.54 121.76 128.27 3kx3 s ALA 44 Ca 0.11 -1.90 -0.33 0.00 0.00 0.00 0.00 51.96 49.84 3kx3 s ALA 44 Cb -0.10 0.32 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 3kx3 s ALA 44 CO 0.00 -0.14 1.75 -2.30 0.00 0.00 0.00 175.76 175.07 3kx3 n PRO 45 N -0.57 2.43 -0.81 0.00 -0.02 -1.26 -1.59 135.00 133.19 3kx3 n PRO 45 Ca -0.05 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3kx3 n PRO 45 Cb 0.64 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3kx3 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx3 n GLY 46 N 3.97 1.08 3.47 -1.23 0.00 -1.26 -5.01 105.19 106.21 3kx3 n GLY 46 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3kx3 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kx3 s ARG 47 N -0.12 1.10 -0.07 1.61 1.70 -0.62 -5.16 118.95 117.39 3kx3 s ARG 47 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 55.73 55.21 3kx3 s ARG 47 Cb 0.00 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 3kx3 s ARG 47 CO 0.00 -0.39 0.20 0.54 -1.08 0.00 0.00 175.30 174.57 3kx3 s VAL 48 N -1.96 -0.00 0.07 4.99 0.11 -1.26 -0.63 120.40 121.72 3kx3 s VAL 48 Ca -0.07 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3kx3 s VAL 48 Cb -0.00 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3kx3 s VAL 48 CO 0.03 0.00 0.02 0.28 -3.33 0.00 0.00 175.10 172.10 3kx3 s THR 49 N 0.11 0.19 -0.12 5.04 -1.32 -0.11 -4.53 115.64 114.90 3kx3 s THR 49 Ca -0.00 -1.74 0.03 0.00 -1.21 0.00 0.00 61.69 58.77 3kx3 s THR 49 Cb -0.01 -1.58 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 3kx3 s THR 49 CO 0.00 -0.87 -0.22 -0.13 -2.21 0.00 0.00 174.62 171.20 3kx3 s ARG 50 N -3.93 3.07 -0.21 7.08 0.52 -0.84 -0.52 118.95 124.12 3kx3 s ARG 50 Ca 0.09 -0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 54.29 3kx3 s ARG 50 Cb 0.07 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 3kx3 s ARG 50 CO -0.08 0.09 0.43 0.71 0.02 0.00 0.00 175.30 176.47 3kx3 s TYR 51 N 0.56 3.36 -0.08 -0.53 1.51 0.12 -0.43 117.35 121.86 3kx3 s TYR 51 Ca -0.13 0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 56.55 3kx3 s TYR 51 Cb -0.17 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 3kx3 s TYR 51 CO 0.04 -0.07 0.00 -0.51 -1.11 0.00 0.00 175.55 173.91 3kx3 s LEU 52 N 1.51 3.59 0.00 -1.29 1.43 0.02 -1.84 118.68 122.11 3kx3 s LEU 52 Ca 0.20 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3kx3 s LEU 52 Cb -0.15 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3kx3 s LEU 52 CO 0.09 0.38 0.04 -1.20 0.23 0.00 0.00 176.35 175.88 3kx3 n SER 53 N 2.11 0.08 -4.80 2.29 7.64 -0.13 -1.34 113.62 119.47 3kx3 n SER 53 Ca -0.18 -0.37 -0.31 0.00 1.01 0.00 0.00 58.87 59.02 3kx3 n SER 53 Cb 0.54 0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 64.09 3kx3 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kx3 s SER 54 N -0.41 5.69 0.37 6.43 1.04 -1.25 -2.79 113.70 122.78 3kx3 s SER 54 Ca 0.00 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.55 3kx3 s SER 54 Cb 0.00 -1.59 0.73 0.00 0.10 0.00 0.00 66.02 65.27 3kx3 s SER 54 CO 0.00 0.19 1.96 -0.61 0.98 0.00 0.00 173.24 175.75 3kx3 h GLN 55 N 3.37 0.50 -0.64 4.02 -0.00 -1.90 -0.95 115.11 119.50 3kx3 h GLN 55 Ca -0.47 -0.07 0.09 0.00 -0.00 0.00 0.00 58.65 58.20 3kx3 h GLN 55 Cb 1.16 -0.09 -0.07 0.00 0.00 0.00 0.00 27.48 28.49 3kx3 h GLN 55 CO 0.67 0.45 0.29 -0.09 0.00 0.00 0.00 178.83 180.15 3kx3 h ARG 56 N 0.50 0.49 0.08 1.69 2.43 -1.95 0.74 114.38 118.36 3kx3 h ARG 56 Ca 0.12 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.96 3kx3 h ARG 56 Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3kx3 h ARG 56 CO -0.01 0.33 -1.59 -0.07 -1.51 0.00 0.00 179.97 177.12 3kx3 h LEU 57 N 0.51 0.26 -0.87 3.80 3.38 -1.87 -3.35 115.31 117.16 3kx3 h LEU 57 Ca 0.32 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3kx3 h LEU 57 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kx3 h LEU 57 CO -0.27 1.35 -0.37 0.40 0.09 0.00 0.00 178.44 179.64 3kx3 h ILE 58 N 0.04 1.29 -0.37 1.22 2.04 -0.98 -1.18 117.51 119.57 3kx3 h ILE 58 Ca -0.26 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 3kx3 h ILE 58 Cb 1.99 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 3kx3 h ILE 58 CO 0.13 0.45 0.18 0.07 0.00 0.00 0.00 178.15 178.98 3kx3 h LYS 59 N 0.33 0.51 -0.22 2.37 2.10 -0.99 -1.06 116.57 119.62 3kx3 h LYS 59 Ca 0.04 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 3kx3 h LYS 59 Cb 0.80 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3kx3 h LYS 59 CO 0.06 0.40 -0.30 0.93 -2.00 0.00 0.00 179.45 178.54 3kx3 h GLU 60 N 0.52 0.59 0.00 0.07 5.08 -1.58 -3.09 114.58 116.17 3kx3 h GLU 60 Ca 0.13 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3kx3 h GLU 60 Cb 0.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kx3 h GLU 60 CO -0.02 0.95 -0.01 0.00 -1.00 0.00 0.00 179.01 178.93 3kx3 h ALA 61 N 0.64 1.40 -0.09 3.43 0.00 -0.47 -0.82 119.26 123.34 3kx3 h ALA 61 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kx3 h ALA 61 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kx3 h ALA 61 CO 0.07 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3kx3 s ASP 63 N -1.50 6.57 0.24 0.00 -1.08 -0.32 -4.88 116.67 115.70 3kx3 s ASP 63 Ca 0.27 0.33 0.25 0.00 -0.52 0.00 0.00 52.55 52.88 3kx3 s ASP 63 Cb 0.14 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.98 3kx3 s ASP 63 CO 0.22 -1.27 1.74 -0.62 0.52 0.00 0.00 175.17 175.75 3kx3 n GLU 64 N 7.87 0.22 0.23 4.34 1.02 -1.26 -1.60 120.64 131.46 3kx3 n GLU 64 Ca 0.10 0.34 0.10 0.00 -0.02 0.00 0.00 57.16 57.69 3kx3 n GLU 64 Cb 0.49 -1.84 0.56 0.00 -0.02 0.00 0.00 31.44 30.63 3kx3 n GLU 64 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kx3 h SER 65 N 0.00 0.00 0.00 1.62 4.64 -1.97 -3.34 113.55 114.50 3kx3 h SER 65 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3kx3 h SER 65 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3kx3 h SER 65 CO 0.00 0.21 -1.80 0.54 -0.87 0.00 0.00 176.83 174.91 3kx3 n ARG 66 N -3.57 0.95 -3.86 4.77 1.74 -0.77 -4.91 116.66 111.01 3kx3 n ARG 66 Ca -0.01 -0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 3kx3 n ARG 66 Cb 0.35 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 3kx3 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kx3 s PHE 67 N -2.77 -0.03 0.30 -1.55 0.08 -0.63 -0.10 117.98 113.29 3kx3 s PHE 67 Ca -0.06 0.06 0.11 0.00 0.12 0.00 0.00 56.93 57.16 3kx3 s PHE 67 Cb 0.07 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.48 3kx3 s PHE 67 CO 0.61 -0.02 -0.12 0.34 -0.10 0.00 0.00 175.22 175.93 3kx3 s ASP 68 N -0.01 3.83 0.32 1.36 2.15 -0.73 -4.23 116.67 119.37 3kx3 s ASP 68 Ca -0.00 -1.01 -0.29 0.00 0.43 0.00 0.00 52.55 51.68 3kx3 s ASP 68 Cb -0.00 -0.42 -0.11 0.00 -0.30 0.00 0.00 42.92 42.09 3kx3 s ASP 68 CO 0.00 -0.06 1.52 -0.75 -0.17 0.00 0.00 175.17 175.71 3kx3 s LYS 69 N -3.58 4.14 0.09 4.34 2.20 -1.26 -0.73 119.74 124.94 3kx3 s LYS 69 Ca 0.31 2.53 0.05 0.00 -0.36 0.00 0.00 55.97 58.51 3kx3 s LYS 69 Cb -0.03 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 3kx3 s LYS 69 CO 0.17 -0.55 -0.03 1.21 -0.36 0.00 0.00 175.35 175.79 3kx3 s ASN 70 N 0.17 4.83 -0.46 1.43 2.47 0.09 -4.66 114.94 118.81 3kx3 s ASN 70 Ca 0.58 -0.23 -0.24 0.00 0.42 0.00 0.00 52.86 53.39 3kx3 s ASN 70 Cb -0.46 -1.09 0.03 0.00 -1.45 0.00 0.00 41.25 38.27 3kx3 s ASN 70 CO 0.54 0.18 0.84 -0.76 -3.72 0.00 0.00 177.10 174.18 3kx3 s LEU 71 N -2.24 4.17 1.09 3.21 1.43 -1.26 -4.36 118.68 120.73 3kx3 s LEU 71 Ca 0.24 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3kx3 s LEU 71 Cb -0.11 -3.04 0.24 0.00 0.03 0.00 0.00 46.19 43.31 3kx3 s LEU 71 CO 0.16 -0.97 1.06 -0.94 0.23 0.00 0.00 176.35 175.89 3kx3 s SER 72 N 2.20 1.59 0.32 2.29 1.04 -1.26 -4.63 113.70 115.24 3kx3 s SER 72 Ca 0.32 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.32 3kx3 s SER 72 Cb -0.11 -2.26 0.57 0.00 0.10 0.00 0.00 66.02 64.31 3kx3 s SER 72 CO 0.24 -3.83 1.94 1.56 0.98 0.00 0.00 173.24 174.13 3kx3 h GLN 73 N -2.37 0.95 -0.34 4.02 1.08 -1.99 -0.79 115.11 115.66 3kx3 h GLN 73 Ca -0.58 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 56.62 3kx3 h GLN 73 Cb 1.32 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 28.49 3kx3 h GLN 73 CO 0.51 0.63 0.05 0.00 -0.95 0.00 0.00 178.83 179.06 3kx3 h ALA 74 N 1.53 0.35 -0.08 3.87 0.00 -1.91 -1.53 119.26 121.49 3kx3 h ALA 74 Ca 0.35 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 3kx3 h ALA 74 Cb 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kx3 h ALA 74 CO -0.12 -0.36 -0.56 -0.07 0.00 0.00 0.00 179.25 178.15 3kx3 h LEU 75 N 0.15 0.29 -1.06 0.00 3.38 -1.61 -0.62 115.31 115.84 3kx3 h LEU 75 Ca 0.16 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kx3 h LEU 75 Cb 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3kx3 h LEU 75 CO -0.24 0.79 0.64 0.11 0.09 0.00 0.00 178.44 179.83 3kx3 h LYS 76 N 0.20 1.23 -0.48 1.13 1.57 -0.68 0.25 116.57 119.79 3kx3 h LYS 76 Ca 0.00 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3kx3 h LYS 76 Cb 1.04 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3kx3 h LYS 76 CO 0.09 0.81 -0.21 0.74 -0.57 0.00 0.00 179.45 180.31 3kx3 h PHE 77 N 1.27 1.13 -0.74 -1.35 0.04 -0.66 -2.99 116.94 113.63 3kx3 h PHE 77 Ca 0.37 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.90 3kx3 h PHE 77 Cb -0.08 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.76 3kx3 h PHE 77 CO -0.00 1.10 0.49 0.28 -0.60 0.00 0.00 178.31 179.58 3kx3 h VAL 78 N 0.84 1.10 -0.08 -0.55 2.07 -0.71 -1.19 116.25 117.74 3kx3 h VAL 78 Ca 0.11 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3kx3 h VAL 78 Cb 0.79 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kx3 h VAL 78 CO 0.07 0.16 0.25 -0.09 0.02 0.00 0.00 177.57 177.98 3kx3 h ARG 79 N 0.89 0.00 -0.04 1.57 2.43 -0.36 0.38 114.38 119.26 3kx3 h ARG 79 Ca 0.30 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3kx3 h ARG 79 Cb 0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3kx3 h ARG 79 CO -0.09 0.00 0.04 -0.44 -1.51 0.00 0.00 179.97 177.97 3kx3 h ASP 80 N 0.00 0.00 0.00 -3.80 3.32 -1.23 -0.39 116.42 114.32 3kx3 h ASP 80 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3kx3 h ASP 80 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3kx3 h ASP 80 CO -0.00 0.00 -1.31 2.22 -1.72 0.00 0.00 179.24 178.43 3kx3 n PHE 81 N -4.08 0.00 1.03 4.55 -1.74 -0.23 -4.69 117.46 112.31 3kx3 n PHE 81 Ca -0.02 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.98 3kx3 n PHE 81 Cb 0.13 -0.18 0.03 0.00 1.52 0.00 0.00 39.48 40.98 3kx3 n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3kx3 n ALA 82 N -1.87 3.91 -0.52 1.98 0.00 -0.04 -4.91 120.51 119.05 3kx3 n ALA 82 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3kx3 n ALA 82 Cb 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3kx3 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx3 n GLY 83 N 1.44 1.97 2.09 0.00 0.00 -0.16 -1.87 105.19 108.66 3kx3 n GLY 83 Ca 0.07 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3kx3 n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kx3 n ASP 84 N -0.91 6.74 -3.56 1.61 5.75 -1.26 -4.43 116.55 120.49 3kx3 n ASP 84 Ca 0.00 -3.40 -0.30 0.00 -0.01 0.00 0.00 54.79 51.07 3kx3 n ASP 84 Cb 0.00 -0.99 0.26 0.00 -1.03 0.00 0.00 41.12 39.36 3kx3 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kx3 s GLY 85 N -0.81 1.52 0.37 6.12 0.00 -0.78 -4.62 107.32 109.11 3kx3 s GLY 85 Ca 0.47 -0.96 0.17 0.00 0.00 0.00 0.00 44.72 44.40 3kx3 s GLY 85 CO 0.00 0.00 1.76 -2.09 0.00 0.00 0.00 173.10 172.78 3kx3 h GLU 86 N -2.99 0.00 0.13 2.90 4.81 -1.88 -2.24 114.58 115.31 3kx3 h GLU 86 Ca -0.43 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.53 3kx3 h GLU 86 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3kx3 h GLU 86 CO 0.29 0.40 -1.24 0.35 -0.73 0.00 0.00 179.01 178.08 3kx3 h PHE 87 N 0.00 0.49 -0.32 0.92 3.04 -1.94 -3.34 116.94 115.80 3kx3 h PHE 87 Ca -0.00 -0.36 -0.02 0.00 3.98 0.00 0.00 57.97 61.57 3kx3 h PHE 87 Cb 0.83 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 3kx3 h PHE 87 CO 0.00 1.28 0.01 0.25 -2.02 0.00 0.00 178.31 177.83 3kx3 n THR 88 N -3.53 2.38 -3.96 4.41 -2.24 -1.05 -4.97 114.28 105.32 3kx3 n THR 88 Ca -0.08 -1.88 -0.31 0.00 -2.27 0.00 0.00 64.05 59.50 3kx3 n THR 88 Cb 1.02 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 3kx3 n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kx3 s SER 89 N -1.83 6.10 0.50 3.42 1.04 -0.87 -4.65 113.70 117.41 3kx3 s SER 89 Ca 0.44 0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.87 3kx3 s SER 89 Cb 0.36 -1.82 -0.08 0.00 0.10 0.00 0.00 66.02 64.58 3kx3 s SER 89 CO 0.09 0.19 1.07 0.26 0.98 0.00 0.00 173.24 175.83 3kx3 s TRP 90 N -1.44 2.90 0.45 5.02 0.52 -1.26 -4.94 118.94 120.19 3kx3 s TRP 90 Ca 0.32 1.57 0.12 0.00 0.02 0.00 0.00 56.10 58.13 3kx3 s TRP 90 Cb -0.13 -3.15 1.02 0.00 -1.15 0.00 0.00 33.47 30.07 3kx3 s TRP 90 CO 0.25 -1.07 2.06 1.15 0.02 0.00 0.00 176.95 179.36 3kx3 h THR 91 N 1.49 1.08 0.00 2.01 2.02 -1.99 -2.08 112.91 115.44 3kx3 h THR 91 Ca -0.50 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3kx3 h THR 91 Cb 1.23 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3kx3 h THR 91 CO 0.59 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.57 3kx3 n HIS 92 N -4.45 0.00 -3.01 3.16 -0.00 -1.26 -4.62 115.22 105.05 3kx3 n HIS 92 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.32 3kx3 n HIS 92 Cb 0.13 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 29.77 3kx3 n HIS 92 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3kx3 s GLU 93 N -2.58 4.52 0.37 -1.40 2.02 -0.78 -4.94 118.70 115.92 3kx3 s GLU 93 Ca 0.28 1.11 0.08 0.00 0.02 0.00 0.00 54.97 56.45 3kx3 s GLU 93 Cb 0.20 -3.22 0.80 0.00 0.10 0.00 0.00 34.13 32.01 3kx3 s GLU 93 CO 0.45 0.56 1.95 -0.22 0.02 0.00 0.00 175.26 178.01 3kx3 h LYS 94 N 4.23 0.67 0.00 1.61 3.64 -1.88 -1.69 116.57 123.15 3kx3 h LYS 94 Ca -0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3kx3 h LYS 94 Cb 1.21 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3kx3 h LYS 94 CO 0.66 0.44 -0.10 -0.91 -2.27 0.00 0.00 179.45 177.26 3kx3 h ASN 95 N 0.69 0.00 0.94 4.20 2.35 -1.92 -2.29 115.58 119.55 3kx3 h ASN 95 Ca 0.33 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.03 3kx3 h ASN 95 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.76 3kx3 h ASN 95 CO -0.11 0.10 -0.45 -0.25 -1.65 0.00 0.00 177.43 175.07 3kx3 h TRP 96 N 0.00 -1.17 -0.29 1.19 7.01 -1.54 -1.98 115.95 119.16 3kx3 h TRP 96 Ca -0.00 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 3kx3 h TRP 96 Cb 0.72 0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 3kx3 h TRP 96 CO 0.00 -0.73 -0.26 -0.22 -2.79 0.00 0.00 178.44 174.44 3kx3 h LYS 97 N -1.31 0.58 -0.08 2.65 1.63 -1.57 0.05 116.57 118.52 3kx3 h LYS 97 Ca -0.13 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3kx3 h LYS 97 Cb 0.97 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 3kx3 h LYS 97 CO 0.21 0.79 0.05 -0.22 -3.45 0.00 0.00 179.45 176.83 3kx3 h LYS 98 N 0.51 0.11 -0.31 1.90 3.64 -1.49 -1.42 116.57 119.51 3kx3 h LYS 98 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3kx3 h LYS 98 Cb 0.72 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3kx3 h LYS 98 CO 0.06 0.14 0.11 0.00 -2.27 0.00 0.00 179.45 177.48 3kx3 h ALA 99 N 0.97 0.41 -0.53 5.00 0.00 -0.82 0.10 119.26 124.39 3kx3 h ALA 99 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3kx3 h ALA 99 Cb 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3kx3 h ALA 99 CO -0.01 0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.62 3kx3 h HIS 100 N 0.35 0.16 -0.12 0.00 -0.00 -0.95 0.60 115.15 115.19 3kx3 h HIS 100 Ca 0.10 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.33 3kx3 h HIS 100 Cb 0.22 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3kx3 h HIS 100 CO 0.00 -0.02 -0.67 -0.91 -0.00 0.00 0.00 177.93 176.33 3kx3 h ASN 101 N 0.23 0.56 0.38 3.26 2.35 -0.98 -1.53 115.58 119.85 3kx3 h ASN 101 Ca 0.27 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 3kx3 h ASN 101 Cb 0.37 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3kx3 h ASN 101 CO -0.35 1.07 -0.49 0.40 -1.65 0.00 0.00 177.43 176.40 3kx3 h ILE 102 N 0.35 1.35 0.00 2.81 2.04 -0.61 -3.31 117.51 120.13 3kx3 h ILE 102 Ca -0.02 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.12 3kx3 h ILE 102 Cb 1.23 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3kx3 h ILE 102 CO 0.12 0.50 -1.44 0.18 0.00 0.00 0.00 178.15 177.51 3kx3 n LEU 103 N -3.95 0.43 -0.20 1.44 4.77 0.17 -4.39 117.00 115.27 3kx3 n LEU 103 Ca -0.02 0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 3kx3 n LEU 103 Cb 0.53 -0.04 0.35 0.00 -2.33 0.00 0.00 43.42 41.92 3kx3 n LEU 103 CO 0.42 -0.02 1.22 0.25 -1.33 0.00 0.00 177.39 177.93 3kx3 h LEU 104 N 0.00 0.68 -0.27 2.23 7.12 -1.37 0.03 115.31 123.73 3kx3 h LEU 104 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 3kx3 h LEU 104 Cb 0.90 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 3kx3 h LEU 104 CO 0.00 0.44 0.00 -2.65 -0.13 0.00 0.00 178.44 176.10 3kx3 n PRO 105 N -4.48 0.07 0.00 5.25 -0.02 -1.26 -1.03 135.00 133.52 3kx3 n PRO 105 Ca 0.11 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3kx3 n PRO 105 Cb 0.24 -1.64 0.64 0.00 -0.02 0.00 0.00 33.50 32.72 3kx3 n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kx3 n SER 106 N -1.77 0.00 -0.15 2.55 7.64 -0.00 -3.02 113.62 118.86 3kx3 n SER 106 Ca 0.03 -0.46 0.05 0.00 1.01 0.00 0.00 58.87 59.49 3kx3 n SER 106 Cb 0.18 -0.11 0.07 0.00 -1.01 0.00 0.00 64.21 63.34 3kx3 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kx3 n PHE 107 N -1.11 0.00 -1.26 1.43 3.72 -0.20 -4.70 117.46 115.34 3kx3 n PHE 107 Ca 0.15 -0.59 -0.29 0.00 -0.05 0.00 0.00 57.45 56.67 3kx3 n PHE 107 Cb 0.12 -0.09 0.19 0.00 -0.94 0.00 0.00 39.48 38.75 3kx3 n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kx3 s SER 108 N -1.83 2.28 0.20 4.37 1.04 -1.17 -4.79 113.70 113.79 3kx3 s SER 108 Ca 0.16 0.91 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 3kx3 s SER 108 Cb 0.14 -1.39 0.12 0.00 0.10 0.00 0.00 66.02 64.99 3kx3 s SER 108 CO 0.01 -3.31 1.86 1.56 0.98 0.00 0.00 173.24 174.34 3kx3 h GLN 109 N -2.02 0.89 -0.62 4.02 1.08 -1.96 -0.95 115.11 115.54 3kx3 h GLN 109 Ca -0.51 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 56.55 3kx3 h GLN 109 Cb 1.32 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.53 3kx3 h GLN 109 CO 0.51 0.60 0.05 0.37 -0.95 0.00 0.00 178.83 179.41 3kx3 h GLN 110 N 0.91 1.06 -0.76 1.46 4.15 -1.94 -1.30 115.11 118.68 3kx3 h GLN 110 Ca 0.24 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3kx3 h GLN 110 Cb -0.09 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 3kx3 h GLN 110 CO -0.05 1.00 0.33 0.00 -1.93 0.00 0.00 178.83 178.17 3kx3 h ALA 111 N 1.07 1.14 -0.46 3.38 0.00 -1.69 -2.65 119.26 120.04 3kx3 h ALA 111 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3kx3 h ALA 111 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kx3 h ALA 111 CO 0.02 0.63 -0.06 0.52 0.00 0.00 0.00 179.25 180.36 3kx3 h MET 112 N 1.10 0.86 -0.96 0.00 2.86 -0.70 -1.57 114.93 116.51 3kx3 h MET 112 Ca 0.26 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3kx3 h MET 112 Cb 0.17 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3kx3 h MET 112 CO -0.03 0.93 0.62 0.87 1.06 0.00 0.00 176.91 180.37 3kx3 h LYS 113 N 0.70 1.06 0.00 1.72 1.57 -1.10 -1.77 116.57 118.77 3kx3 h LYS 113 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kx3 h LYS 113 Cb 0.58 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kx3 h LYS 113 CO 0.04 0.70 0.00 0.78 -0.57 0.00 0.00 179.45 180.40 3kx3 h GLY 114 N 1.10 0.00 1.12 3.86 0.00 -0.95 -3.03 103.07 105.17 3kx3 h GLY 114 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3kx3 h GLY 114 CO -0.17 0.00 -0.79 -0.97 0.00 0.00 0.00 176.54 174.61 3kx3 h TYR 115 N 0.00 0.00 -0.49 5.60 0.05 -0.73 -3.40 116.97 118.00 3kx3 h TYR 115 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3kx3 h TYR 115 Cb 0.56 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 3kx3 h TYR 115 CO 0.00 0.00 0.28 1.25 -1.05 0.00 0.00 178.16 178.64 3kx3 h HIS 116 N 0.00 0.53 -0.97 4.88 2.76 -1.37 -0.25 115.15 120.73 3kx3 h HIS 116 Ca 0.00 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 3kx3 h HIS 116 Cb 0.90 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.63 3kx3 h HIS 116 CO 0.00 0.30 0.63 0.00 -1.30 0.00 0.00 177.93 177.56 3kx3 h ALA 117 N 1.23 1.45 -0.05 5.26 0.00 -1.78 -1.06 119.26 124.31 3kx3 h ALA 117 Ca 0.20 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3kx3 h ALA 117 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kx3 h ALA 117 CO -0.10 0.40 -0.76 0.52 0.00 0.00 0.00 179.25 179.32 3kx3 h MET 118 N 1.12 0.32 -0.78 0.00 2.07 -1.68 -1.78 114.93 114.20 3kx3 h MET 118 Ca 0.42 -0.28 0.02 0.00 -2.07 0.00 0.00 59.70 57.79 3kx3 h MET 118 Cb 0.19 0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 29.94 3kx3 h MET 118 CO -0.17 0.94 0.51 0.52 1.07 0.00 0.00 176.91 179.78 3kx3 h MET 119 N 0.21 0.99 -0.84 1.72 2.86 -0.30 -2.76 114.93 116.81 3kx3 h MET 119 Ca -0.03 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3kx3 h MET 119 Cb 1.33 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 3kx3 h MET 119 CO 0.12 0.65 0.44 0.28 1.06 0.00 0.00 176.91 179.47 3kx3 h VAL 120 N 1.02 1.25 -0.28 -2.22 2.07 -0.97 -0.34 116.25 116.78 3kx3 h VAL 120 Ca 0.30 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kx3 h VAL 120 Cb -0.06 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 3kx3 h VAL 120 CO -0.09 0.29 -0.09 -0.78 0.02 0.00 0.00 177.57 176.92 3kx3 h ASP 121 N 1.18 -0.32 -0.02 0.57 1.82 -1.06 0.24 116.42 118.83 3kx3 h ASP 121 Ca 0.29 0.09 -0.21 0.00 -0.39 0.00 0.00 57.03 56.82 3kx3 h ASP 121 Cb 0.06 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.27 3kx3 h ASP 121 CO -0.04 -0.12 -0.74 0.40 -1.61 0.00 0.00 179.24 177.12 3kx3 h ILE 122 N -0.03 1.31 -0.80 2.25 1.08 -1.23 -2.73 117.51 117.36 3kx3 h ILE 122 Ca 0.14 -2.01 0.01 0.00 -0.39 0.00 0.00 64.86 62.61 3kx3 h ILE 122 Cb 0.24 1.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.95 3kx3 h ILE 122 CO -0.31 0.63 0.53 0.00 -0.69 0.00 0.00 178.15 178.31 3kx3 h ALA 123 N 0.70 1.02 -0.99 1.87 0.00 -0.51 -1.75 119.26 119.61 3kx3 h ALA 123 Ca -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kx3 h ALA 123 Cb 1.35 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3kx3 h ALA 123 CO 0.15 0.43 0.65 0.28 0.00 0.00 0.00 179.25 180.75 3kx3 h VAL 124 N 1.09 1.20 -0.87 0.00 2.07 -0.47 -1.00 116.25 118.26 3kx3 h VAL 124 Ca 0.29 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kx3 h VAL 124 Cb -0.13 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.41 3kx3 h VAL 124 CO -0.06 0.23 0.49 1.56 0.02 0.00 0.00 177.57 179.81 3kx3 h GLN 125 N 1.28 1.21 -0.37 1.57 4.20 -1.04 0.95 115.11 122.91 3kx3 h GLN 125 Ca 0.38 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 3kx3 h GLN 125 Cb -0.06 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 3kx3 h GLN 125 CO -0.11 0.88 0.07 1.25 -0.67 0.00 0.00 178.83 180.25 3kx3 h LEU 126 N 1.22 0.59 -0.51 1.46 5.85 -0.58 -1.42 115.31 121.91 3kx3 h LEU 126 Ca 0.31 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kx3 h LEU 126 Cb 0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3kx3 h LEU 126 CO -0.05 0.69 0.24 0.58 -0.34 0.00 0.00 178.44 179.56 3kx3 h VAL 127 N 0.46 1.20 -0.75 1.05 2.07 -0.83 -1.63 116.25 117.81 3kx3 h VAL 127 Ca 0.11 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3kx3 h VAL 127 Cb 0.35 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3kx3 h VAL 127 CO 0.01 0.22 0.41 1.56 0.02 0.00 0.00 177.57 179.78 3kx3 h GLN 128 N 0.69 1.06 -0.10 1.57 1.08 -0.77 0.11 115.11 118.75 3kx3 h GLN 128 Ca 0.18 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3kx3 h GLN 128 Cb 0.12 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3kx3 h GLN 128 CO -0.02 0.79 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.42 3kx3 h LYS 129 N 1.05 0.02 -0.17 1.46 3.64 -0.81 -1.52 116.57 120.24 3kx3 h LYS 129 Ca 0.26 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 3kx3 h LYS 129 Cb 0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3kx3 h LYS 129 CO -0.04 0.01 -0.42 -1.49 -2.27 0.00 0.00 179.45 175.24 3kx3 h TRP 130 N 0.02 0.47 0.00 1.91 6.55 -0.86 -2.54 115.95 121.50 3kx3 h TRP 130 Ca 0.04 -0.14 -0.05 0.00 0.95 0.00 0.00 58.89 59.70 3kx3 h TRP 130 Cb 0.06 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.25 3kx3 h TRP 130 CO -0.13 0.76 -0.22 0.93 -1.05 0.00 0.00 178.44 178.73 3kx3 h GLU 131 N 0.33 0.00 -0.01 0.49 4.39 -0.53 -3.02 114.58 116.22 3kx3 h GLU 131 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kx3 h GLU 131 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3kx3 h GLU 131 CO 0.07 0.22 -0.05 0.54 -1.16 0.00 0.00 179.01 178.63 3kx3 n ARG 132 N -3.96 1.45 -2.15 2.33 1.74 -0.59 -4.91 116.66 110.56 3kx3 n ARG 132 Ca -0.02 -0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 55.87 3kx3 n ARG 132 Cb 0.30 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3kx3 n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kx3 s LEU 133 N -2.11 4.07 0.73 0.55 1.43 -1.10 -5.02 118.68 117.23 3kx3 s LEU 133 Ca 0.35 2.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.80 3kx3 s LEU 133 Cb 0.21 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.33 3kx3 s LEU 133 CO 0.38 -0.94 1.09 0.20 0.23 0.00 0.00 176.35 177.31 3kx3 s ASN 134 N -1.11 5.18 0.44 2.29 0.01 -1.26 -4.94 114.94 115.55 3kx3 s ASN 134 Ca 0.62 1.21 0.19 0.00 -0.71 0.00 0.00 52.86 54.16 3kx3 s ASN 134 Cb -0.33 -1.99 1.13 0.00 0.41 0.00 0.00 41.25 40.47 3kx3 s ASN 134 CO 0.41 -1.52 1.90 0.00 -1.51 0.00 0.00 177.10 176.37 3kx3 h ALA 135 N -0.78 2.24 -0.05 0.60 0.00 -2.00 -1.38 119.26 117.90 3kx3 h ALA 135 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kx3 h ALA 135 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kx3 h ALA 135 CO 0.62 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3kx3 n ASP 136 N -4.46 0.69 -4.89 0.00 5.75 -1.26 -4.91 116.55 107.47 3kx3 n ASP 136 Ca 0.16 -1.44 -0.20 0.00 -0.01 0.00 0.00 54.79 53.29 3kx3 n ASP 136 Cb 0.63 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.67 3kx3 n ASP 136 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3kx3 s GLU 137 N -1.94 2.74 0.34 0.11 2.02 -0.52 -5.12 118.70 116.32 3kx3 s GLU 137 Ca 0.34 -1.31 0.06 0.00 0.02 0.00 0.00 54.97 54.08 3kx3 s GLU 137 Cb 0.17 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 3kx3 s GLU 137 CO 0.27 -0.01 0.24 -3.38 0.02 0.00 0.00 175.26 172.40 3kx3 s HIS 138 N -2.33 1.72 -0.11 1.61 -3.43 -1.26 -4.85 115.29 106.64 3kx3 s HIS 138 Ca 0.44 -1.56 -0.01 0.00 -0.80 0.00 0.00 55.06 53.13 3kx3 s HIS 138 Cb -0.06 -0.80 -0.03 0.00 -1.43 0.00 0.00 32.58 30.26 3kx3 s HIS 138 CO 0.28 -0.73 -0.07 0.42 -2.00 0.00 0.00 174.74 172.64 3kx3 s ILE 139 N -3.44 3.67 -0.57 -5.38 1.01 0.43 -4.98 121.20 111.93 3kx3 s ILE 139 Ca 0.37 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 3kx3 s ILE 139 Cb 0.03 -2.55 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3kx3 s ILE 139 CO 0.24 0.54 0.70 -1.61 0.00 0.00 0.00 174.94 174.81 3kx3 s GLU 140 N -0.14 3.08 0.03 2.79 2.02 -1.26 -2.10 118.70 123.12 3kx3 s GLU 140 Ca 0.02 -1.14 -0.28 0.00 0.02 0.00 0.00 54.97 53.58 3kx3 s GLU 140 Cb -0.13 -4.21 -0.17 0.00 0.10 0.00 0.00 34.13 29.72 3kx3 s GLU 140 CO 0.03 -1.46 1.33 0.28 0.02 0.00 0.00 175.26 175.46 3kx3 h VAL 141 N 5.91 0.41 -0.15 2.63 2.07 -1.54 -1.73 116.25 123.86 3kx3 h VAL 141 Ca -0.29 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3kx3 h VAL 141 Cb 1.09 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kx3 h VAL 141 CO 1.06 0.05 -0.21 1.55 0.02 0.00 0.00 177.57 180.04 3kx3 h PRO 142 N -0.91 0.27 -0.37 1.57 0.13 -1.87 0.73 132.00 131.55 3kx3 h PRO 142 Ca -0.07 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3kx3 h PRO 142 Cb 0.61 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 3kx3 h PRO 142 CO 0.12 0.47 0.23 0.93 -0.23 0.00 0.00 178.00 179.52 3kx3 h GLU 143 N 0.24 0.46 -0.13 0.86 3.07 -1.91 -0.56 114.58 116.61 3kx3 h GLU 143 Ca 0.04 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.74 3kx3 h GLU 143 Cb 0.51 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3kx3 h GLU 143 CO 0.03 0.30 -0.52 -0.44 -1.40 0.00 0.00 179.01 176.99 3kx3 h ASP 144 N 0.47 0.39 -0.36 1.42 3.32 -0.74 -1.79 116.42 119.13 3kx3 h ASP 144 Ca 0.14 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3kx3 h ASP 144 Cb -0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kx3 h ASP 144 CO -0.05 0.84 -0.01 0.24 -1.72 0.00 0.00 179.24 178.55 3kx3 h MET 145 N 0.28 0.74 -0.46 3.56 2.86 -0.69 -1.57 114.93 119.66 3kx3 h MET 145 Ca 0.01 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 3kx3 h MET 145 Cb 1.01 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3kx3 h MET 145 CO 0.09 0.76 -0.16 1.15 1.06 0.00 0.00 176.91 179.80 3kx3 h THR 146 N 0.69 1.27 -0.61 2.22 2.02 -0.90 -0.02 112.91 117.59 3kx3 h THR 146 Ca 0.14 -1.30 0.12 0.00 0.77 0.00 0.00 66.41 66.13 3kx3 h THR 146 Cb 0.44 1.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.90 3kx3 h THR 146 CO 0.02 0.45 0.08 0.03 0.37 0.00 0.00 175.52 176.47 3kx3 h ARG 147 N 0.76 0.19 0.12 6.66 3.08 -1.15 -1.32 114.38 122.73 3kx3 h ARG 147 Ca 0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3kx3 h ARG 147 Cb 0.72 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3kx3 h ARG 147 CO 0.06 0.13 -0.06 1.25 -1.07 0.00 0.00 179.97 180.27 3kx3 h LEU 148 N 0.20 -0.14 -0.46 3.04 5.85 -1.02 -2.42 115.31 120.35 3kx3 h LEU 148 Ca 0.32 -0.28 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 3kx3 h LEU 148 Cb 0.50 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kx3 h LEU 148 CO -0.45 0.21 -0.60 0.71 -0.34 0.00 0.00 178.44 177.97 3kx3 h THR 149 N -0.51 1.33 -0.34 1.05 1.35 -0.91 -0.32 112.91 114.56 3kx3 h THR 149 Ca -0.02 -1.87 -0.02 0.00 -0.55 0.00 0.00 66.41 63.95 3kx3 h THR 149 Cb 0.41 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 3kx3 h THR 149 CO 0.03 0.58 0.14 0.25 -0.25 0.00 0.00 175.52 176.27 3kx3 h LEU 150 N 0.41 0.46 -1.08 3.87 5.85 -1.33 -1.74 115.31 121.75 3kx3 h LEU 150 Ca -0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 3kx3 h LEU 150 Cb 1.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3kx3 h LEU 150 CO 0.11 0.50 -0.14 0.44 -0.34 0.00 0.00 178.44 179.01 3kx3 h ASP 151 N 0.40 0.47 -0.26 1.25 5.19 -1.30 -0.43 116.42 121.74 3kx3 h ASP 151 Ca 0.11 -0.13 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3kx3 h ASP 151 Cb 0.18 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3kx3 h ASP 151 CO -0.01 0.64 -0.09 0.74 -3.12 0.00 0.00 179.24 177.40 3kx3 h THR 152 N 0.45 1.29 -0.34 0.35 2.02 -0.82 -1.11 112.91 114.75 3kx3 h THR 152 Ca 0.08 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.00 3kx3 h THR 152 Cb 0.51 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3kx3 h THR 152 CO 0.03 0.36 -0.29 -0.29 0.37 0.00 0.00 175.52 175.70 3kx3 h ILE 153 N 0.26 1.28 -0.60 3.11 6.09 -1.12 -0.54 117.51 125.99 3kx3 h ILE 153 Ca 0.06 -1.41 0.04 0.00 -1.37 0.00 0.00 64.86 62.18 3kx3 h ILE 153 Cb 0.58 1.33 -0.04 0.00 0.47 0.00 0.00 36.82 39.16 3kx3 h ILE 153 CO 0.03 0.46 0.35 1.23 -3.07 0.00 0.00 178.15 177.15 3kx3 h GLY 154 N 0.98 0.86 0.26 8.18 0.00 -0.93 0.00 103.07 112.42 3kx3 h GLY 154 Ca 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3kx3 h GLY 154 CO 0.07 0.19 -0.22 -2.00 0.00 0.00 0.00 176.54 174.58 3kx3 h LEU 155 N 0.67 0.14 -0.67 3.11 5.85 -0.96 -0.98 115.31 122.47 3kx3 h LEU 155 Ca 0.25 -0.92 -0.11 0.00 0.84 0.00 0.00 57.88 57.95 3kx3 h LEU 155 Cb 0.08 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kx3 h LEU 155 CO -0.13 1.05 -0.13 0.00 -0.34 0.00 0.00 178.44 178.89 3kx3 h GLY 157 N 0.96 0.25 0.00 0.00 0.00 -1.11 -3.39 103.07 99.78 3kx3 h GLY 157 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kx3 h GLY 157 CO 0.05 0.56 0.00 0.69 0.00 0.00 0.00 176.54 177.84 3kx3 n PHE 158 N -3.40 0.00 -4.06 5.60 3.72 -0.63 -1.00 117.46 117.68 3kx3 n PHE 158 Ca -0.19 -0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 56.87 3kx3 n PHE 158 Cb 1.04 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3kx3 n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3kx3 n ASN 159 N -0.02 -3.38 -4.19 4.37 5.15 -0.71 -4.93 115.26 111.55 3kx3 n ASN 159 Ca 0.00 -0.92 -0.29 0.00 -0.60 0.00 0.00 54.58 52.77 3kx3 n ASN 159 Cb 0.20 -3.24 -0.16 0.00 -0.53 0.00 0.00 39.78 36.05 3kx3 n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3kx3 s TYR 160 N -3.39 2.15 -0.37 1.20 5.04 -0.47 -4.95 117.35 116.56 3kx3 s TYR 160 Ca 0.59 -0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 54.38 3kx3 s TYR 160 Cb -0.31 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.56 3kx3 s TYR 160 CO 0.88 -0.25 0.25 1.03 -1.34 0.00 0.00 175.55 176.12 3kx3 s ARG 161 N 0.09 3.18 0.41 4.97 0.52 -1.26 -2.65 118.95 124.20 3kx3 s ARG 161 Ca -0.08 -0.86 0.21 0.00 -0.52 0.00 0.00 55.73 54.47 3kx3 s ARG 161 Cb -0.14 -3.85 0.81 0.00 0.52 0.00 0.00 34.95 32.28 3kx3 s ARG 161 CO 0.04 -0.60 1.79 0.74 0.02 0.00 0.00 175.30 177.29 3kx3 h PHE 162 N 8.53 0.00 -6.19 -0.53 0.04 -1.90 -3.47 116.94 113.42 3kx3 h PHE 162 Ca -0.29 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.04 3kx3 h PHE 162 Cb 1.13 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.30 3kx3 h PHE 162 CO 0.60 0.31 -0.82 0.09 -0.60 0.00 0.00 178.31 177.89 3kx3 n ASN 163 N -3.50 -2.11 0.25 2.17 3.02 -1.26 -4.87 115.26 108.95 3kx3 n ASN 163 Ca -0.00 -0.83 0.13 0.00 -0.03 0.00 0.00 54.58 53.85 3kx3 n ASN 163 Cb 0.46 -3.90 0.59 0.00 -0.61 0.00 0.00 39.78 36.32 3kx3 n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3kx3 h SER 164 N -1.93 0.00 0.50 6.41 0.02 -1.91 -1.59 113.55 115.05 3kx3 h SER 164 Ca -0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3kx3 h SER 164 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3kx3 h SER 164 CO 0.60 0.13 0.00 0.49 -1.14 0.00 0.00 176.83 176.91 3kx3 n PHE 165 N -3.31 0.00 0.54 3.45 3.72 -1.26 -2.41 117.46 118.19 3kx3 n PHE 165 Ca -0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3kx3 n PHE 165 Cb 0.35 -0.27 0.23 0.00 -0.94 0.00 0.00 39.48 38.86 3kx3 n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kx3 n TYR 166 N -1.27 0.59 -4.31 1.38 4.02 -0.60 -4.90 117.16 112.08 3kx3 n TYR 166 Ca 0.14 -0.30 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 3kx3 n TYR 166 Cb 0.22 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.38 3kx3 n TYR 166 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3kx3 s ARG 167 N -1.41 0.87 0.02 -0.72 0.52 -1.01 -5.03 118.95 112.19 3kx3 s ARG 167 Ca 0.32 -0.24 0.23 0.00 -0.52 0.00 0.00 55.73 55.52 3kx3 s ARG 167 Cb 0.17 -0.82 0.16 0.00 0.52 0.00 0.00 34.95 34.97 3kx3 s ARG 167 CO 0.23 0.07 1.15 -0.40 0.02 0.00 0.00 175.30 176.36 3kx3 n ASP 168 N 3.42 0.67 -4.96 0.23 5.75 -1.26 -4.87 116.55 115.52 3kx3 n ASP 168 Ca -0.19 -0.42 -0.20 0.00 -0.01 0.00 0.00 54.79 53.97 3kx3 n ASP 168 Cb 0.54 0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 41.25 3kx3 n ASP 168 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3kx3 s GLN 169 N -3.07 3.12 0.66 0.11 -1.52 -1.26 -5.09 119.66 112.60 3kx3 s GLN 169 Ca 0.08 -1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 52.31 3kx3 s GLN 169 Cb 0.16 -2.78 -0.00 0.00 -0.22 0.00 0.00 33.01 30.17 3kx3 s GLN 169 CO 0.78 0.15 1.26 -2.14 -0.25 0.00 0.00 175.29 175.09 3kx3 s PRO 170 N -4.10 2.52 0.51 2.91 0.02 -1.26 -4.94 135.00 130.66 3kx3 s PRO 170 Ca 0.42 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 63.17 3kx3 s PRO 170 Cb -0.09 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 3kx3 s PRO 170 CO 0.30 -1.59 1.36 -1.58 -0.33 0.00 0.00 177.00 175.15 3kx3 s HIS 171 N -1.56 2.38 0.54 6.54 2.46 -1.26 -4.77 115.29 119.62 3kx3 s HIS 171 Ca 0.80 1.36 0.20 0.00 0.47 0.00 0.00 55.06 57.89 3kx3 s HIS 171 Cb -0.34 -3.79 1.41 0.00 -0.13 0.00 0.00 32.58 29.72 3kx3 s HIS 171 CO 0.40 -2.79 2.15 -1.35 -2.47 0.00 0.00 174.74 170.69 3kx3 h PRO 172 N 1.73 0.00 -0.50 2.88 0.11 -1.99 0.44 132.00 134.68 3kx3 h PRO 172 Ca -0.51 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3kx3 h PRO 172 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3kx3 h PRO 172 CO 0.58 0.00 0.05 0.35 -0.21 0.00 0.00 178.00 178.77 3kx3 h PHE 173 N 0.00 0.85 -0.15 0.65 3.57 -1.92 -2.11 116.94 117.83 3kx3 h PHE 173 Ca 0.03 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 3kx3 h PHE 173 Cb 0.12 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3kx3 h PHE 173 CO 0.00 0.76 -0.12 0.82 -2.23 0.00 0.00 178.31 177.53 3kx3 h ILE 174 N 0.76 1.34 -0.39 1.41 1.08 -0.50 0.53 117.51 121.74 3kx3 h ILE 174 Ca 0.16 -1.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.45 3kx3 h ILE 174 Cb 0.40 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.90 3kx3 h ILE 174 CO 0.01 0.37 0.01 0.74 -0.69 0.00 0.00 178.15 178.59 3kx3 h THR 175 N 0.00 0.72 -0.40 -0.27 2.02 -1.13 0.19 112.91 114.04 3kx3 h THR 175 Ca 0.03 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 3kx3 h THR 175 Cb 0.64 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3kx3 h THR 175 CO 0.03 0.02 -0.33 0.28 0.37 0.00 0.00 175.52 175.90 3kx3 h SER 176 N 0.11 0.94 -0.48 4.18 0.02 -1.31 -2.29 113.55 114.72 3kx3 h SER 176 Ca 0.19 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3kx3 h SER 176 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kx3 h SER 176 CO -0.31 1.18 0.30 -0.03 -1.14 0.00 0.00 176.83 176.83 3kx3 h MET 177 N 0.75 0.65 -0.53 3.45 -1.53 -0.38 -0.36 114.93 116.97 3kx3 h MET 177 Ca 0.08 -0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.24 3kx3 h MET 177 Cb 0.90 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.79 3kx3 h MET 177 CO 0.08 0.46 0.16 0.28 0.14 0.00 0.00 176.91 178.03 3kx3 h VAL 178 N 0.65 1.24 -0.60 -5.77 2.07 -0.96 0.23 116.25 113.11 3kx3 h VAL 178 Ca 0.17 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3kx3 h VAL 178 Cb -0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3kx3 h VAL 178 CO -0.03 0.30 0.14 -0.09 0.02 0.00 0.00 177.57 177.90 3kx3 h ARG 179 N 0.74 0.94 -0.53 1.57 2.43 -1.25 0.83 114.38 119.12 3kx3 h ARG 179 Ca 0.17 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3kx3 h ARG 179 Cb 0.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3kx3 h ARG 179 CO -0.00 0.84 0.00 0.00 -1.51 0.00 0.00 179.97 179.30 3kx3 h ALA 180 N 1.25 0.71 -0.31 2.80 0.00 -0.54 -0.94 119.26 122.24 3kx3 h ALA 180 Ca 0.19 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3kx3 h ALA 180 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kx3 h ALA 180 CO 0.00 0.52 -0.51 -0.07 0.00 0.00 0.00 179.25 179.20 3kx3 h LEU 181 N 0.80 0.97 -0.95 0.00 3.38 -0.70 -0.63 115.31 118.18 3kx3 h LEU 181 Ca 0.15 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3kx3 h LEU 181 Cb 0.52 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3kx3 h LEU 181 CO 0.03 1.31 0.47 -0.78 0.09 0.00 0.00 178.44 179.55 3kx3 h ASP 182 N 0.67 1.09 -0.51 -0.43 3.58 -0.82 -1.59 116.42 118.41 3kx3 h ASP 182 Ca 0.02 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.26 3kx3 h ASP 182 Cb 1.11 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3kx3 h ASP 182 CO 0.12 0.87 -0.14 -0.08 -2.88 0.00 0.00 179.24 177.13 3kx3 h GLU 183 N 1.22 1.00 -0.99 0.28 4.57 -0.96 -0.15 114.58 119.55 3kx3 h GLU 183 Ca 0.31 -0.39 0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3kx3 h GLU 183 Cb 0.03 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 3kx3 h GLU 183 CO -0.05 1.07 0.64 0.00 -1.18 0.00 0.00 179.01 179.49 3kx3 h ALA 184 N 0.90 1.35 -0.39 2.92 0.00 -0.73 -1.16 119.26 122.15 3kx3 h ALA 184 Ca 0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3kx3 h ALA 184 Cb 0.71 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kx3 h ALA 184 CO 0.05 0.45 -0.25 1.98 0.00 0.00 0.00 179.25 181.49 3kx3 h MET 185 N 1.18 0.87 -0.04 0.00 1.85 -0.96 -2.94 114.93 114.88 3kx3 h MET 185 Ca 0.42 -0.41 -0.07 0.00 -0.61 0.00 0.00 59.70 59.03 3kx3 h MET 185 Cb 0.12 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 3kx3 h MET 185 CO -0.16 1.05 -0.28 -0.97 -0.40 0.00 0.00 176.91 176.15 3kx3 h ASN 186 N 0.68 0.07 0.57 1.39 -0.73 -0.67 -2.57 115.58 114.32 3kx3 h ASN 186 Ca 0.08 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 3kx3 h ASN 186 Cb 0.83 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.39 3kx3 h ASN 186 CO 0.07 0.36 -0.12 0.50 -0.37 0.00 0.00 177.43 177.87 3kx3 h LYS 187 N 0.07 0.00 -0.08 6.67 3.64 -1.04 -2.68 116.57 123.16 3kx3 h LYS 187 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kx3 h LYS 187 Cb 0.54 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3kx3 h LYS 187 CO 0.04 0.12 0.02 -0.07 -2.27 0.00 0.00 179.45 177.29 3kx3 h LEU 188 N 0.00 0.09 -0.05 5.20 3.38 -1.46 -2.68 115.31 119.79 3kx3 h LEU 188 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kx3 h LEU 188 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kx3 h LEU 188 CO 0.02 0.10 -0.55 0.00 0.09 0.00 0.00 178.44 178.09 3kx3 n GLN 189 N -4.49 0.07 -2.48 1.13 10.64 -1.01 -4.91 117.38 116.33 3kx3 n GLN 189 Ca -0.02 -0.05 -0.43 0.00 -1.83 0.00 0.00 57.00 54.68 3kx3 n GLN 189 Cb 0.11 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.97 3kx3 n GLN 189 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3kx3 s ARG 190 N -2.96 3.84 0.31 2.61 0.52 -1.01 -4.89 118.95 117.37 3kx3 s ARG 190 Ca 0.12 1.02 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 3kx3 s ARG 190 Cb 0.17 -3.88 0.51 0.00 0.52 0.00 0.00 34.95 32.27 3kx3 s ARG 190 CO 0.71 -1.21 1.90 0.00 0.02 0.00 0.00 175.30 176.72 3kx3 h ALA 191 N 9.31 1.36 -2.37 2.13 0.00 -1.90 -3.36 119.26 124.43 3kx3 h ALA 191 Ca -0.25 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 3kx3 h ALA 191 Cb 1.08 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.26 3kx3 h ALA 191 CO 1.06 0.48 -0.92 0.09 0.00 0.00 0.00 179.25 179.96 3kx3 n ASN 192 N -4.34 0.50 0.25 0.00 3.02 -1.26 -4.97 115.26 108.46 3kx3 n ASN 192 Ca 0.04 -2.65 0.18 0.00 -0.03 0.00 0.00 54.58 52.12 3kx3 n ASN 192 Cb 0.16 -0.61 0.90 0.00 -0.61 0.00 0.00 39.78 39.62 3kx3 n ASN 192 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kx3 h PRO 193 N 5.08 0.00 -0.63 3.52 0.11 -1.96 -1.89 132.00 136.24 3kx3 h PRO 193 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3kx3 h PRO 193 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kx3 h PRO 193 CO 0.48 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 3kx3 n ASP 194 N -3.59 3.84 -4.66 -2.05 8.00 -1.26 -4.87 116.55 111.96 3kx3 n ASP 194 Ca -0.00 -2.08 -0.44 0.00 0.71 0.00 0.00 54.79 52.98 3kx3 n ASP 194 Cb 0.26 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3kx3 n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kx3 n ASP 195 N 1.27 2.37 0.19 -2.24 -0.08 -0.71 -4.85 116.55 112.52 3kx3 n ASP 195 Ca 0.22 1.19 0.14 0.00 -1.51 0.00 0.00 54.79 54.82 3kx3 n ASP 195 Cb 0.62 -1.42 0.66 0.00 2.34 0.00 0.00 41.12 43.33 3kx3 n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kx3 h PRO 196 N 2.77 0.00 0.00 -0.67 0.11 -1.91 -2.19 132.00 130.11 3kx3 h PRO 196 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kx3 h PRO 196 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kx3 h PRO 196 CO 0.65 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.48 3kx3 n ALA 197 N -1.87 0.99 0.57 -0.75 0.00 -1.26 -1.36 120.51 116.83 3kx3 n ALA 197 Ca -0.00 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.72 3kx3 n ALA 197 Cb 0.15 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.47 3kx3 n ALA 197 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kx3 n TYR 198 N -2.21 0.14 -0.34 0.00 4.01 -0.82 -4.54 117.16 113.40 3kx3 n TYR 198 Ca -0.01 -0.09 0.14 0.00 -0.16 0.00 0.00 57.90 57.77 3kx3 n TYR 198 Cb 0.07 -0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.45 3kx3 n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kx3 h ASP 199 N 3.57 0.73 -0.38 7.72 3.32 -1.37 -0.31 116.42 129.71 3kx3 h ASP 199 Ca 0.00 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3kx3 h ASP 199 Cb 0.79 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3kx3 h ASP 199 CO 0.00 0.26 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.63 3kx3 h GLU 200 N 0.71 0.72 -0.90 3.56 4.22 -1.81 -1.27 114.58 119.81 3kx3 h GLU 200 Ca 0.57 -0.26 0.07 0.00 0.08 0.00 0.00 59.36 59.81 3kx3 h GLU 200 Cb 0.95 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 3kx3 h GLU 200 CO -0.35 0.85 0.59 -0.91 -2.18 0.00 0.00 179.01 177.01 3kx3 h ASN 201 N 0.52 0.90 -0.41 1.04 -0.26 -1.39 -1.31 115.58 114.67 3kx3 h ASN 201 Ca 0.10 0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 3kx3 h ASN 201 Cb 0.57 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3kx3 h ASN 201 CO 0.03 0.58 -0.13 0.11 -1.06 0.00 0.00 177.43 176.97 3kx3 h LYS 202 N 1.02 0.80 -0.56 0.81 1.57 -1.06 -0.90 116.57 118.26 3kx3 h LYS 202 Ca 0.39 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3kx3 h LYS 202 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3kx3 h LYS 202 CO -0.15 0.94 0.22 -0.09 -0.57 0.00 0.00 179.45 179.81 3kx3 h ARG 203 N 0.61 0.84 -0.33 3.15 2.43 -0.70 -1.27 114.38 119.12 3kx3 h ARG 203 Ca 0.10 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3kx3 h ARG 203 Cb 0.66 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3kx3 h ARG 203 CO 0.05 0.73 -0.31 0.37 -1.51 0.00 0.00 179.97 179.29 3kx3 h GLN 204 N 0.77 0.70 -0.03 0.20 5.75 -1.15 -2.44 115.11 118.92 3kx3 h GLN 204 Ca 0.19 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3kx3 h GLN 204 Cb 0.21 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 3kx3 h GLN 204 CO -0.01 0.92 0.02 0.35 -2.65 0.00 0.00 178.83 177.45 3kx3 h PHE 205 N 0.60 0.04 -0.71 3.99 3.57 -0.79 -0.48 116.94 123.16 3kx3 h PHE 205 Ca 0.07 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3kx3 h PHE 205 Cb 0.82 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3kx3 h PHE 205 CO 0.04 0.10 0.47 1.96 -2.23 0.00 0.00 178.31 178.64 3kx3 h GLN 206 N -0.03 0.76 -0.51 1.11 1.08 -1.14 -1.48 115.11 114.90 3kx3 h GLN 206 Ca 0.01 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 3kx3 h GLN 206 Cb 0.07 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3kx3 h GLN 206 CO -0.00 0.50 -0.17 1.49 -0.95 0.00 0.00 178.83 179.70 3kx3 h GLU 207 N 0.78 1.02 -0.60 1.46 4.81 -1.08 -1.33 114.58 119.63 3kx3 h GLU 207 Ca 0.30 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 3kx3 h GLU 207 Cb 0.18 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3kx3 h GLU 207 CO -0.09 1.09 0.01 -0.44 -0.73 0.00 0.00 179.01 178.85 3kx3 h ASP 208 N 0.89 1.03 -0.27 1.04 3.32 -0.51 -1.94 116.42 119.98 3kx3 h ASP 208 Ca 0.12 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3kx3 h ASP 208 Cb 0.75 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3kx3 h ASP 208 CO 0.06 1.08 -0.02 0.40 -1.72 0.00 0.00 179.24 179.03 3kx3 h ILE 209 N 0.97 1.22 -0.41 0.35 2.04 -1.18 -1.21 117.51 119.28 3kx3 h ILE 209 Ca 0.17 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 3kx3 h ILE 209 Cb 0.55 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3kx3 h ILE 209 CO 0.03 0.31 -0.11 0.50 0.00 0.00 0.00 178.15 178.88 3kx3 h LYS 210 N 0.58 0.74 -0.66 2.37 3.64 -0.96 -1.15 116.57 121.13 3kx3 h LYS 210 Ca 0.12 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3kx3 h LYS 210 Cb 0.40 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3kx3 h LYS 210 CO 0.02 0.82 0.21 0.28 -2.27 0.00 0.00 179.45 178.51 3kx3 h VAL 211 N 0.67 1.25 -0.56 2.00 2.07 -0.89 0.70 116.25 121.49 3kx3 h VAL 211 Ca 0.12 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3kx3 h VAL 211 Cb 0.58 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3kx3 h VAL 211 CO 0.04 0.33 0.30 0.24 0.02 0.00 0.00 177.57 178.50 3kx3 h MET 212 N 0.95 0.79 -0.17 1.57 2.86 -1.03 -2.59 114.93 117.31 3kx3 h MET 212 Ca 0.21 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3kx3 h MET 212 Cb 0.28 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kx3 h MET 212 CO -0.01 0.61 -0.17 -0.91 1.06 0.00 0.00 176.91 177.49 3kx3 h ASN 213 N 0.76 0.27 -0.13 1.22 2.35 -0.99 -1.38 115.58 117.68 3kx3 h ASN 213 Ca 0.20 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3kx3 h ASN 213 Cb 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3kx3 h ASN 213 CO -0.03 0.47 -0.09 0.44 -1.65 0.00 0.00 177.43 176.57 3kx3 h ASP 214 N 0.26 0.44 -0.21 5.81 3.32 -0.63 -1.38 116.42 124.02 3kx3 h ASP 214 Ca 0.05 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3kx3 h ASP 214 Cb 0.47 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3kx3 h ASP 214 CO 0.03 0.57 -0.24 0.25 -1.72 0.00 0.00 179.24 178.12 3kx3 h LEU 215 N 0.43 0.58 -0.77 1.55 5.85 -1.04 -2.68 115.31 119.22 3kx3 h LEU 215 Ca 0.09 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.43 3kx3 h LEU 215 Cb 0.42 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 3kx3 h LEU 215 CO 0.02 0.95 0.38 0.58 -0.34 0.00 0.00 178.44 180.04 3kx3 h VAL 216 N 0.22 0.78 -0.82 1.05 2.07 -0.91 -0.85 116.25 117.78 3kx3 h VAL 216 Ca 0.03 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3kx3 h VAL 216 Cb 0.81 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3kx3 h VAL 216 CO 0.06 0.11 0.52 0.44 0.02 0.00 0.00 177.57 178.72 3kx3 h ASP 217 N 0.60 0.86 -0.44 0.57 3.32 -1.08 -1.37 116.42 118.88 3kx3 h ASP 217 Ca 0.40 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3kx3 h ASP 217 Cb 0.51 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3kx3 h ASP 217 CO -0.32 0.59 0.28 0.11 -1.72 0.00 0.00 179.24 178.17 3kx3 h LYS 218 N 1.01 0.58 -0.58 3.56 1.57 -0.92 0.16 116.57 121.96 3kx3 h LYS 218 Ca 0.33 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3kx3 h LYS 218 Cb 0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3kx3 h LYS 218 CO -0.12 0.41 0.33 0.82 -0.57 0.00 0.00 179.45 180.33 3kx3 h ILE 219 N 0.58 1.18 -0.59 1.86 2.04 -0.56 -0.20 117.51 121.83 3kx3 h ILE 219 Ca 0.16 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3kx3 h ILE 219 Cb -0.04 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3kx3 h ILE 219 CO -0.03 0.19 0.13 0.40 0.00 0.00 0.00 178.15 178.84 3kx3 h ILE 220 N 0.79 1.25 -0.63 -0.67 2.04 -1.04 -2.42 117.51 116.82 3kx3 h ILE 220 Ca 0.21 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3kx3 h ILE 220 Cb 0.02 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3kx3 h ILE 220 CO -0.04 0.34 0.16 0.00 0.00 0.00 0.00 178.15 178.62 3kx3 h ALA 221 N 1.03 0.84 -0.77 1.87 0.00 -0.38 -1.17 119.26 120.68 3kx3 h ALA 221 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kx3 h ALA 221 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kx3 h ALA 221 CO 0.01 0.54 0.30 0.22 0.00 0.00 0.00 179.25 180.32 3kx3 h ASP 222 N 0.93 1.06 -0.36 0.00 1.82 -0.96 -1.14 116.42 117.77 3kx3 h ASP 222 Ca 0.20 -0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.61 3kx3 h ASP 222 Cb 0.35 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 3kx3 h ASP 222 CO 0.00 0.94 -0.02 -0.09 -1.61 0.00 0.00 179.24 178.46 3kx3 h ARG 223 N 1.12 0.65 -0.77 0.28 9.65 -0.90 -0.32 114.38 124.09 3kx3 h ARG 223 Ca 0.26 -0.22 0.09 0.00 -1.10 0.00 0.00 59.98 59.01 3kx3 h ARG 223 Cb 0.22 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.70 3kx3 h ARG 223 CO -0.02 0.77 0.50 -0.22 2.80 0.00 0.00 179.97 183.81 3kx3 h LYS 224 N 0.46 0.70 0.00 0.20 3.64 -0.95 -2.29 116.57 118.32 3kx3 h LYS 224 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kx3 h LYS 224 Cb 0.50 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3kx3 h LYS 224 CO 0.02 0.46 -0.33 0.00 -2.27 0.00 0.00 179.45 177.34 3kx3 n ALA 225 N -2.45 2.80 -2.02 5.00 0.00 -0.46 -4.90 120.51 118.48 3kx3 n ALA 225 Ca 0.13 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3kx3 n ALA 225 Cb 0.31 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3kx3 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kx3 s SER 226 N -3.75 6.89 0.10 0.00 0.15 -0.21 -4.92 113.70 111.96 3kx3 s SER 226 Ca 0.10 2.39 0.22 0.00 0.70 0.00 0.00 55.95 59.37 3kx3 s SER 226 Cb 0.15 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.77 3kx3 s SER 226 CO 0.65 -0.54 0.88 0.61 1.20 0.00 0.00 173.24 176.04 3kx3 n GLY 227 N 2.45 -1.27 3.84 9.45 0.00 -1.26 -4.92 105.19 113.47 3kx3 n GLY 227 Ca 0.07 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3kx3 n GLY 227 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kx3 s GLU 228 N -3.37 2.57 -0.30 1.61 4.04 -1.26 -5.04 118.70 116.95 3kx3 s GLU 228 Ca -0.02 0.64 -0.06 0.00 0.04 0.00 0.00 54.97 55.58 3kx3 s GLU 228 Cb 0.12 -1.97 0.02 0.00 0.02 0.00 0.00 34.13 32.32 3kx3 s GLU 228 CO 0.83 -1.28 0.07 -0.65 -1.84 0.00 0.00 175.26 172.38 3kx3 s GLN 229 N -5.20 2.90 0.23 -4.83 -1.52 -1.26 -5.09 119.66 104.90 3kx3 s GLN 229 Ca 0.59 -0.98 0.01 0.00 -1.95 0.00 0.00 55.36 53.04 3kx3 s GLN 229 Cb -0.13 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.28 3kx3 s GLN 229 CO 0.54 -0.51 0.40 -1.12 -0.25 0.00 0.00 175.29 174.35 3kx3 s SER 230 N 1.44 6.34 -0.45 5.90 0.01 -1.26 -5.04 113.70 120.65 3kx3 s SER 230 Ca 0.01 0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.62 3kx3 s SER 230 Cb -0.18 -1.96 0.20 0.00 0.21 0.00 0.00 66.02 64.29 3kx3 s SER 230 CO 0.02 -0.09 0.44 -0.67 0.41 0.00 0.00 173.24 173.34 3kx3 n ASP 231 N -1.07 0.33 -1.11 2.44 2.03 -1.26 -4.88 116.55 113.03 3kx3 n ASP 231 Ca -0.06 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.63 3kx3 n ASP 231 Cb 0.55 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 3kx3 n ASP 231 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3kx3 n ASP 232 N 2.18 1.22 -0.13 1.67 5.68 -1.26 -4.98 116.55 120.93 3kx3 n ASP 232 Ca 0.26 -0.69 -0.06 0.00 -0.50 0.00 0.00 54.79 53.80 3kx3 n ASP 232 Cb 0.48 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.48 3kx3 n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kx3 h LEU 233 N 0.00 0.34 -1.45 -2.12 5.85 -1.72 -1.66 115.31 114.55 3kx3 h LEU 233 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3kx3 h LEU 233 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3kx3 h LEU 233 CO 0.00 0.24 0.26 0.25 -0.34 0.00 0.00 178.44 178.85 3kx3 h LEU 234 N 0.45 0.56 -0.51 2.25 5.85 -1.42 -0.95 115.31 121.54 3kx3 h LEU 234 Ca 0.18 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3kx3 h LEU 234 Cb 0.06 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3kx3 h LEU 234 CO -0.11 0.45 0.31 0.74 -0.34 0.00 0.00 178.44 179.48 3kx3 h THR 235 N 0.64 1.06 -0.46 1.05 2.02 -1.59 0.14 112.91 115.77 3kx3 h THR 235 Ca 0.17 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 3kx3 h THR 235 Cb 0.01 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3kx3 h THR 235 CO -0.03 0.11 -0.27 0.45 0.37 0.00 0.00 175.52 176.16 3kx3 h HIS 236 N 0.61 1.15 -0.69 3.16 3.86 -0.87 -0.00 115.15 122.36 3kx3 h HIS 236 Ca 0.20 -0.30 0.07 0.00 -1.16 0.00 0.00 60.37 59.19 3kx3 h HIS 236 Cb 0.01 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.16 3kx3 h HIS 236 CO -0.06 1.13 0.37 0.52 0.86 0.00 0.00 177.93 180.75 3kx3 h MET 237 N 0.84 0.65 0.06 2.45 2.07 -0.83 0.11 114.93 120.28 3kx3 h MET 237 Ca 0.10 -0.04 -0.24 0.00 -2.07 0.00 0.00 59.70 57.45 3kx3 h MET 237 Cb 0.85 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 3kx3 h MET 237 CO 0.08 0.43 -1.09 -0.07 1.07 0.00 0.00 176.91 177.32 3kx3 h LEU 238 N 0.66 0.27 0.00 1.22 3.38 -0.61 -3.41 115.31 116.83 3kx3 h LEU 238 Ca 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kx3 h LEU 238 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kx3 h LEU 238 CO -0.22 1.18 -0.88 0.59 0.09 0.00 0.00 178.44 179.21 3kx3 n ASN 239 N -3.51 4.38 -4.78 -0.43 4.13 -0.05 -4.90 115.26 110.10 3kx3 n ASN 239 Ca -0.05 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.85 3kx3 n ASN 239 Cb 0.95 0.87 -0.03 0.00 -1.54 0.00 0.00 39.78 40.03 3kx3 n ASN 239 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kx3 s GLY 240 N -1.78 2.68 -0.05 7.41 0.00 0.37 -4.95 107.32 111.01 3kx3 s GLY 240 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.51 3kx3 s GLY 240 CO 0.00 1.15 -0.15 0.54 0.00 0.00 0.00 173.10 174.65 3kx3 s LYS 241 N -2.79 2.49 0.03 2.90 1.02 -1.26 -4.26 119.74 117.87 3kx3 s LYS 241 Ca 0.63 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 3kx3 s LYS 241 Cb -0.22 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.66 3kx3 s LYS 241 CO 0.27 0.62 1.49 0.34 -0.92 0.00 0.00 175.35 177.16 3kx3 s ASP 242 N -0.73 6.76 0.57 2.83 2.15 -0.15 -4.80 116.67 123.30 3kx3 s ASP 242 Ca 0.11 2.26 0.32 0.00 0.43 0.00 0.00 52.55 55.67 3kx3 s ASP 242 Cb -0.11 -2.56 1.72 0.00 -0.30 0.00 0.00 42.92 41.67 3kx3 s ASP 242 CO 0.00 -0.78 2.17 -0.65 -0.17 0.00 0.00 175.17 175.74 3kx3 h PRO 243 N 7.96 0.00 0.06 4.34 0.11 -1.90 0.42 132.00 143.00 3kx3 h PRO 243 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kx3 h PRO 243 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kx3 h PRO 243 CO 0.91 0.06 -0.03 1.49 -0.21 0.00 0.00 178.00 180.22 3kx3 h GLU 244 N 0.00 -0.08 0.00 1.05 4.81 -1.96 -3.36 114.58 115.04 3kx3 h GLU 244 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kx3 h GLU 244 Cb 0.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kx3 h GLU 244 CO 0.01 -0.05 0.00 1.79 -0.73 0.00 0.00 179.01 180.02 3kx3 h THR 245 N -0.98 0.00 0.00 0.32 1.35 -1.97 -3.47 112.91 108.16 3kx3 h THR 245 Ca -0.01 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3kx3 h THR 245 Cb 0.06 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kx3 h THR 245 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3kx3 n GLY 246 N 1.05 0.36 3.90 5.82 0.00 0.15 -4.99 105.19 111.47 3kx3 n GLY 246 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3kx3 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx3 s GLU 247 N -0.78 3.35 0.68 1.61 2.02 -1.25 -4.57 118.70 119.76 3kx3 s GLU 247 Ca 0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.45 3kx3 s GLU 247 Cb 0.00 -2.99 0.05 0.00 0.10 0.00 0.00 34.13 31.29 3kx3 s GLU 247 CO 0.00 0.61 0.99 -1.25 0.02 0.00 0.00 175.26 175.63 3kx3 s PRO 248 N -2.45 2.37 0.56 0.39 0.04 -1.26 -0.98 135.00 133.67 3kx3 s PRO 248 Ca 0.34 -0.18 -0.19 0.00 0.04 0.00 0.00 61.00 61.01 3kx3 s PRO 248 Cb -0.13 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3kx3 s PRO 248 CO 0.26 -1.12 1.12 -0.51 0.04 0.00 0.00 177.00 176.79 3kx3 s LEU 249 N -5.20 3.69 0.65 -3.56 1.43 -1.26 -4.94 118.68 109.49 3kx3 s LEU 249 Ca 0.59 2.12 -0.09 0.00 -1.03 0.00 0.00 54.13 55.72 3kx3 s LEU 249 Cb -0.11 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.55 3kx3 s LEU 249 CO 0.45 -1.26 1.01 1.51 0.23 0.00 0.00 176.35 178.28 3kx3 s ASP 250 N -1.94 5.51 0.30 2.29 1.47 -1.26 -4.88 116.67 118.15 3kx3 s ASP 250 Ca 0.71 0.93 0.01 0.00 1.18 0.00 0.00 52.55 55.39 3kx3 s ASP 250 Cb -0.23 -1.82 0.55 0.00 -0.34 0.00 0.00 42.92 41.09 3kx3 s ASP 250 CO 0.29 -1.21 1.90 0.44 0.68 0.00 0.00 175.17 177.26 3kx3 h ASP 251 N -0.43 0.89 -0.32 2.11 3.32 -1.98 -0.90 116.42 119.10 3kx3 h ASP 251 Ca -0.45 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3kx3 h ASP 251 Cb 1.26 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3kx3 h ASP 251 CO 0.62 0.55 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.56 3kx3 h GLU 252 N 1.00 0.61 -0.43 3.56 4.81 -2.01 -2.29 114.58 119.83 3kx3 h GLU 252 Ca 0.41 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3kx3 h GLU 252 Cb 0.28 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3kx3 h GLU 252 CO -0.17 0.77 -0.09 -0.97 -0.73 0.00 0.00 179.01 177.83 3kx3 h ASN 253 N 0.39 0.75 -0.66 1.04 -0.73 -1.81 -2.56 115.58 112.00 3kx3 h ASN 253 Ca 0.08 -0.21 0.01 0.00 1.87 0.00 0.00 56.30 58.05 3kx3 h ASN 253 Cb 0.54 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 3kx3 h ASN 253 CO 0.03 0.87 0.43 0.40 -0.37 0.00 0.00 177.43 178.79 3kx3 h ILE 254 N 0.70 1.15 -0.55 2.57 2.04 -1.01 0.81 117.51 123.21 3kx3 h ILE 254 Ca 0.12 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.75 3kx3 h ILE 254 Cb 0.55 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 3kx3 h ILE 254 CO 0.03 0.16 0.25 0.03 0.00 0.00 0.00 178.15 178.62 3kx3 h ARG 255 N 0.87 0.46 -0.63 2.37 3.08 -1.12 -0.10 114.38 119.31 3kx3 h ARG 255 Ca 0.25 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3kx3 h ARG 255 Cb -0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3kx3 h ARG 255 CO -0.06 0.30 0.32 1.88 -1.07 0.00 0.00 179.97 181.34 3kx3 h TYR 256 N 0.47 0.87 -0.31 3.04 0.05 -1.00 -2.05 116.97 118.04 3kx3 h TYR 256 Ca 0.26 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 3kx3 h TYR 256 Cb 0.23 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kx3 h TYR 256 CO -0.13 0.63 -0.28 1.96 -1.05 0.00 0.00 178.16 179.28 3kx3 h GLN 257 N 0.89 0.63 -0.28 4.88 1.08 0.13 -0.31 115.11 122.13 3kx3 h GLN 257 Ca 0.22 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3kx3 h GLN 257 Cb 0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3kx3 h GLN 257 CO -0.03 0.85 0.08 0.82 -0.95 0.00 0.00 178.83 179.59 3kx3 h ILE 258 N 0.55 1.21 -0.44 2.54 2.04 -0.74 -0.03 117.51 122.63 3kx3 h ILE 258 Ca 0.07 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3kx3 h ILE 258 Cb 0.77 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3kx3 h ILE 258 CO 0.06 0.22 0.21 0.40 0.00 0.00 0.00 178.15 179.05 3kx3 h ILE 259 N 0.29 0.96 0.04 -0.67 2.04 -1.30 -0.97 117.51 117.89 3kx3 h ILE 259 Ca 0.09 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kx3 h ILE 259 Cb 0.27 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kx3 h ILE 259 CO -0.00 0.08 -0.06 0.74 0.00 0.00 0.00 178.15 178.91 3kx3 h THR 260 N 0.43 0.86 0.00 -0.27 2.02 -0.71 -2.02 112.91 113.22 3kx3 h THR 260 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 3kx3 h THR 260 Cb 0.11 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3kx3 h THR 260 CO -0.14 0.00 -0.24 -0.26 0.37 0.00 0.00 175.52 175.25 3kx3 h PHE 261 N -0.12 0.00 -0.14 3.16 -1.00 -0.89 0.20 116.94 118.15 3kx3 h PHE 261 Ca 0.01 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.61 3kx3 h PHE 261 Cb 0.13 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 3kx3 h PHE 261 CO -0.11 0.24 -0.65 -0.07 -1.61 0.00 0.00 178.31 176.12 3kx3 h LEU 262 N 0.00 0.59 0.00 1.54 3.38 -0.95 0.14 115.31 120.02 3kx3 h LEU 262 Ca -0.00 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kx3 h LEU 262 Cb 0.87 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kx3 h LEU 262 CO 0.03 1.08 -0.04 0.40 0.09 0.00 0.00 178.44 180.01 3kx3 h ILE 263 N 0.37 0.37 0.00 1.22 2.04 -1.11 -3.27 117.51 117.13 3kx3 h ILE 263 Ca -0.01 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3kx3 h ILE 263 Cb 1.21 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3kx3 h ILE 263 CO 0.12 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 3kx3 h ALA 264 N -0.80 1.72 -0.05 1.87 0.00 -0.72 -1.76 119.26 119.52 3kx3 h ALA 264 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kx3 h ALA 264 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kx3 h ALA 264 CO -0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3kx3 n GLY 265 N -1.15 -0.60 0.00 0.00 0.00 0.49 -4.38 105.19 99.54 3kx3 n GLY 265 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3kx3 n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kx3 n HIS 266 N -0.43 0.00 -0.12 1.61 1.44 -0.92 -4.65 115.22 112.15 3kx3 n HIS 266 Ca 0.14 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.73 3kx3 n HIS 266 Cb 0.14 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.22 3kx3 n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3kx3 h GLU 267 N 0.00 0.64 0.00 -1.40 4.57 -1.54 -0.20 114.58 116.65 3kx3 h GLU 267 Ca 0.00 -0.24 -0.14 0.00 -1.18 0.00 0.00 59.36 57.80 3kx3 h GLU 267 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3kx3 h GLU 267 CO 0.00 0.81 -0.65 1.79 -1.18 0.00 0.00 179.01 179.78 3kx3 h THR 268 N 0.43 1.38 -0.32 0.32 1.35 -1.80 -1.65 112.91 112.62 3kx3 h THR 268 Ca 0.09 -2.27 -0.12 0.00 -0.55 0.00 0.00 66.41 63.55 3kx3 h THR 268 Cb 0.56 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3kx3 h THR 268 CO 0.03 0.63 -0.31 0.74 -0.25 0.00 0.00 175.52 176.37 3kx3 h THR 269 N 0.00 1.28 -0.68 6.82 2.02 -1.76 -0.89 112.91 119.70 3kx3 h THR 269 Ca -0.01 -1.43 -0.05 0.00 0.77 0.00 0.00 66.41 65.69 3kx3 h THR 269 Cb 1.20 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 3kx3 h THR 269 CO 0.08 0.47 0.24 0.77 0.37 0.00 0.00 175.52 177.45 3kx3 h SER 270 N 0.59 0.97 -0.22 4.18 4.64 -0.75 -1.12 113.55 121.83 3kx3 h SER 270 Ca 0.07 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3kx3 h SER 270 Cb 0.81 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 3kx3 h SER 270 CO 0.07 0.90 -0.05 1.23 -0.87 0.00 0.00 176.83 178.11 3kx3 h GLY 271 N 0.99 0.17 0.91 -0.77 0.00 -1.14 -1.90 103.07 101.32 3kx3 h GLY 271 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 3kx3 h GLY 271 CO -0.01 -0.08 0.10 -2.00 0.00 0.00 0.00 176.54 174.54 3kx3 h LEU 272 N 0.01 0.46 -1.12 3.11 5.85 -0.87 0.04 115.31 122.79 3kx3 h LEU 272 Ca 0.11 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3kx3 h LEU 272 Cb 0.16 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3kx3 h LEU 272 CO -0.23 0.55 0.41 -0.07 -0.34 0.00 0.00 178.44 178.77 3kx3 h LEU 273 N 0.35 0.91 -0.27 2.25 3.38 -1.08 0.51 115.31 121.37 3kx3 h LEU 273 Ca 0.10 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3kx3 h LEU 273 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kx3 h LEU 273 CO -0.00 0.73 -0.16 0.28 0.09 0.00 0.00 178.44 179.37 3kx3 h SER 274 N 1.04 0.61 -0.29 -0.43 0.02 -0.99 -0.97 113.55 112.54 3kx3 h SER 274 Ca 0.26 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3kx3 h SER 274 Cb 0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3kx3 h SER 274 CO -0.04 0.90 -0.17 -0.26 -1.14 0.00 0.00 176.83 176.12 3kx3 h PHE 275 N 0.31 0.82 -0.25 3.45 0.04 -0.78 -1.35 116.94 119.19 3kx3 h PHE 275 Ca 0.06 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 3kx3 h PHE 275 Cb 0.69 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3kx3 h PHE 275 CO 0.07 0.85 0.04 0.00 -0.60 0.00 0.00 178.31 178.67 3kx3 h ALA 276 N 1.15 0.34 -0.84 2.45 0.00 -0.70 -0.40 119.26 121.26 3kx3 h ALA 276 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kx3 h ALA 276 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3kx3 h ALA 276 CO 0.05 0.02 0.42 1.25 0.00 0.00 0.00 179.25 180.98 3kx3 h LEU 277 N 0.23 1.08 0.03 0.00 5.85 -1.10 -0.58 115.31 120.82 3kx3 h LEU 277 Ca 0.08 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kx3 h LEU 277 Cb 0.34 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3kx3 h LEU 277 CO 0.01 0.90 -0.22 0.22 -0.34 0.00 0.00 178.44 179.00 3kx3 h TYR 278 N 1.19 -0.59 -0.34 1.25 3.20 -0.91 -0.78 116.97 119.98 3kx3 h TYR 278 Ca 0.29 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.10 3kx3 h TYR 278 Cb 0.09 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3kx3 h TYR 278 CO 0.01 -0.31 -0.11 0.74 -1.64 0.00 0.00 178.16 176.85 3kx3 h PHE 279 N -0.37 0.63 -0.05 -3.82 0.04 -0.87 -1.75 116.94 110.76 3kx3 h PHE 279 Ca 0.05 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3kx3 h PHE 279 Cb 0.43 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 3kx3 h PHE 279 CO -0.25 0.68 0.02 -0.07 -0.60 0.00 0.00 178.31 178.09 3kx3 h LEU 280 N 0.54 0.07 -1.58 1.54 3.38 -0.83 -0.98 115.31 117.45 3kx3 h LEU 280 Ca 0.10 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kx3 h LEU 280 Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kx3 h LEU 280 CO 0.03 0.17 -0.18 -0.37 0.09 0.00 0.00 178.44 178.18 3kx3 h VAL 281 N -0.04 0.59 -0.00 1.22 -1.51 -0.89 -2.17 116.25 113.45 3kx3 h VAL 281 Ca 0.02 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 3kx3 h VAL 281 Cb 0.12 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3kx3 h VAL 281 CO -0.00 0.17 -0.11 0.29 -1.23 0.00 0.00 177.57 176.69 3kx3 n LYS 282 N -3.55 0.02 -3.38 5.19 4.76 -0.68 -4.40 118.16 116.12 3kx3 n LYS 282 Ca -0.01 -0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 3kx3 n LYS 282 Cb 0.32 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3kx3 n LYS 282 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kx3 n ASN 283 N -1.49 0.92 -0.25 4.39 3.02 -0.40 -5.00 115.26 116.46 3kx3 n ASN 283 Ca 0.07 -2.79 0.22 0.00 -0.03 0.00 0.00 54.58 52.05 3kx3 n ASN 283 Cb 0.34 -0.63 0.56 0.00 -0.61 0.00 0.00 39.78 39.43 3kx3 n ASN 283 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kx3 h PRO 284 N 4.69 0.31 -0.30 3.52 0.11 -1.77 0.53 132.00 139.08 3kx3 h PRO 284 Ca 0.16 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 3kx3 h PRO 284 Cb 0.84 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3kx3 h PRO 284 CO 0.53 0.20 -0.25 0.45 -0.21 0.00 0.00 178.00 178.72 3kx3 h HIS 285 N 0.31 0.66 -0.20 0.65 3.86 -1.94 -0.10 115.15 118.40 3kx3 h HIS 285 Ca 0.49 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.47 3kx3 h HIS 285 Cb 1.36 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 3kx3 h HIS 285 CO -0.00 0.78 -0.18 0.28 0.86 0.00 0.00 177.93 179.67 3kx3 h VAL 286 N 0.51 1.33 -0.69 2.45 2.07 -1.29 -1.74 116.25 118.90 3kx3 h VAL 286 Ca 0.07 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.32 3kx3 h VAL 286 Cb 0.70 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3kx3 h VAL 286 CO 0.05 0.40 0.39 0.25 0.02 0.00 0.00 177.57 178.68 3kx3 h LEU 287 N 0.14 0.58 -0.74 2.57 5.85 -1.01 -0.48 115.31 122.21 3kx3 h LEU 287 Ca 0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kx3 h LEU 287 Cb 0.72 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3kx3 h LEU 287 CO 0.05 0.37 0.41 -0.61 -0.34 0.00 0.00 178.44 178.32 3kx3 h GLN 288 N 0.71 1.03 -0.60 1.25 4.15 -0.85 0.11 115.11 120.91 3kx3 h GLN 288 Ca 0.31 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 3kx3 h GLN 288 Cb 0.19 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3kx3 h GLN 288 CO -0.18 0.76 0.06 -0.22 -1.93 0.00 0.00 178.83 177.32 3kx3 h LYS 289 N 1.02 1.00 -0.40 1.69 3.64 -0.70 0.09 116.57 122.92 3kx3 h LYS 289 Ca 0.26 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3kx3 h LYS 289 Cb 0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3kx3 h LYS 289 CO -0.04 0.95 -0.08 0.00 -2.27 0.00 0.00 179.45 178.01 3kx3 h ALA 290 N 1.12 0.55 -0.24 5.00 0.00 -0.75 -1.81 119.26 123.13 3kx3 h ALA 290 Ca 0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3kx3 h ALA 290 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kx3 h ALA 290 CO 0.02 0.40 -0.16 0.00 0.00 0.00 0.00 179.25 179.51 3kx3 h ALA 291 N 0.85 1.28 -0.61 0.00 0.00 -0.54 -0.79 119.26 119.45 3kx3 h ALA 291 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3kx3 h ALA 291 Cb 0.59 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kx3 h ALA 291 CO 0.04 0.48 0.21 0.93 0.00 0.00 0.00 179.25 180.91 3kx3 h GLU 292 N 0.38 0.93 -0.28 0.00 5.08 -0.73 -0.98 114.58 118.98 3kx3 h GLU 292 Ca 0.07 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3kx3 h GLU 292 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3kx3 h GLU 292 CO 0.03 0.81 0.06 1.49 -1.00 0.00 0.00 179.01 180.41 3kx3 h GLU 293 N 0.86 0.45 -0.67 2.33 4.81 -0.84 -1.19 114.58 120.33 3kx3 h GLU 293 Ca 0.20 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3kx3 h GLU 293 Cb 0.25 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3kx3 h GLU 293 CO -0.01 0.54 0.40 0.00 -0.73 0.00 0.00 179.01 179.21 3kx3 h ALA 294 N 0.88 0.88 -0.56 2.92 0.00 -0.96 0.57 119.26 123.00 3kx3 h ALA 294 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kx3 h ALA 294 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kx3 h ALA 294 CO 0.00 0.13 0.10 0.00 0.00 0.00 0.00 179.25 179.49 3kx3 h ALA 295 N 1.31 1.13 -0.17 0.00 0.00 -0.96 -0.02 119.26 120.55 3kx3 h ALA 295 Ca 0.28 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kx3 h ALA 295 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kx3 h ALA 295 CO -0.13 0.58 -0.22 -0.09 0.00 0.00 0.00 179.25 179.39 3kx3 h ARG 296 N 0.84 0.44 -0.04 0.00 2.43 -0.46 -3.34 114.38 114.25 3kx3 h ARG 296 Ca 0.18 -0.25 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 3kx3 h ARG 296 Cb 0.36 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3kx3 h ARG 296 CO 0.01 0.83 -0.86 0.28 -1.51 0.00 0.00 179.97 178.72 3kx3 h VAL 297 N 0.08 1.31 -1.91 0.20 2.07 -0.87 -3.39 116.25 113.74 3kx3 h VAL 297 Ca 0.02 -2.12 -0.76 0.00 0.82 0.00 0.00 66.70 64.66 3kx3 h VAL 297 Cb 0.78 2.33 -0.18 0.00 -1.52 0.00 0.00 31.29 32.70 3kx3 h VAL 297 CO 0.05 0.65 1.60 0.18 0.02 0.00 0.00 177.57 180.07 3kx3 n LEU 298 N -3.98 6.05 -0.01 2.57 4.77 -0.03 -4.70 117.00 121.67 3kx3 n LEU 298 Ca -0.10 -4.65 0.12 0.00 -0.03 0.00 0.00 56.01 51.36 3kx3 n LEU 298 Cb 0.79 -1.51 0.31 0.00 -2.33 0.00 0.00 43.42 40.68 3kx3 n LEU 298 CO 0.53 1.16 0.54 1.33 -1.33 0.00 0.00 177.39 179.62 3kx3 n VAL 299 N 3.60 0.00 -3.13 4.08 0.24 -1.26 -4.88 118.33 116.98 3kx3 n VAL 299 Ca 0.37 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.34 62.48 3kx3 n VAL 299 Cb 0.39 0.15 0.02 0.00 -1.47 0.00 0.00 33.84 32.92 3kx3 n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kx3 s ASP 300 N -2.97 5.40 0.44 -1.34 1.01 -1.26 -5.03 116.67 112.92 3kx3 s ASP 300 Ca 0.12 -0.60 0.15 0.00 0.71 0.00 0.00 52.55 52.93 3kx3 s ASP 300 Cb 0.18 -0.37 0.98 0.00 1.01 0.00 0.00 42.92 44.71 3kx3 s ASP 300 CO 0.67 -0.90 1.96 -0.65 0.21 0.00 0.00 175.17 176.46 3kx3 h PRO 301 N 0.59 0.00 -4.28 8.23 0.11 -1.90 -3.43 132.00 131.32 3kx3 h PRO 301 Ca -0.38 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.55 3kx3 h PRO 301 Cb 1.28 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.21 3kx3 h PRO 301 CO 0.46 0.22 -0.70 0.14 -0.21 0.00 0.00 178.00 177.91 3kx3 s VAL 302 N -4.50 0.32 0.42 3.15 -7.23 -1.26 -1.64 120.40 109.66 3kx3 s VAL 302 Ca -0.04 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 3kx3 s VAL 302 Cb 0.15 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 3kx3 s VAL 302 CO 0.69 -0.68 1.01 -2.84 -0.31 0.00 0.00 175.10 172.98 3kx3 s PRO 303 N -2.55 4.13 0.40 4.82 0.02 -1.26 -5.00 135.00 135.55 3kx3 s PRO 303 Ca -0.04 1.37 -0.01 0.00 0.02 0.00 0.00 61.00 62.35 3kx3 s PRO 303 Cb -0.03 -2.38 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 3kx3 s PRO 303 CO -0.04 -0.15 0.62 -1.54 -0.33 0.00 0.00 177.00 175.56 3kx3 s SER 304 N -1.81 6.17 0.22 2.53 1.04 -1.26 -4.98 113.70 115.61 3kx3 s SER 304 Ca 0.60 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 57.40 3kx3 s SER 304 Cb -0.17 -1.94 0.27 0.00 0.10 0.00 0.00 66.02 64.28 3kx3 s SER 304 CO 0.22 -0.45 1.63 0.22 0.98 0.00 0.00 173.24 175.84 3kx3 h TYR 305 N 0.57 -0.29 -0.30 5.02 5.03 -1.96 -2.35 116.97 122.70 3kx3 h TYR 305 Ca -0.48 0.06 -0.08 0.00 2.58 0.00 0.00 58.73 60.80 3kx3 h TYR 305 Cb 1.23 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.72 3kx3 h TYR 305 CO 0.51 -0.27 -0.16 -0.22 -1.32 0.00 0.00 178.16 176.69 3kx3 h LYS 306 N 0.02 0.53 -0.71 1.82 1.63 -1.99 -2.52 116.57 115.35 3kx3 h LYS 306 Ca 0.32 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3kx3 h LYS 306 Cb 0.51 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 3kx3 h LYS 306 CO -0.66 0.68 0.33 1.96 -3.45 0.00 0.00 179.45 178.31 3kx3 h GLN 307 N 0.48 1.02 -0.97 1.90 4.20 -1.82 -2.31 115.11 117.62 3kx3 h GLN 307 Ca 0.08 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3kx3 h GLN 307 Cb 0.56 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 3kx3 h GLN 307 CO 0.04 0.81 0.63 0.28 -0.67 0.00 0.00 178.83 179.92 3kx3 h VAL 308 N 0.99 1.25 0.00 -0.54 2.07 -1.08 0.10 116.25 119.04 3kx3 h VAL 308 Ca 0.24 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3kx3 h VAL 308 Cb 0.13 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3kx3 h VAL 308 CO -0.03 0.25 -0.03 0.11 0.02 0.00 0.00 177.57 177.88 3kx3 h LYS 309 N 1.32 0.00 -0.02 1.57 1.79 -1.04 -1.72 116.57 118.47 3kx3 h LYS 309 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3kx3 h LYS 309 Cb -0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 3kx3 h LYS 309 CO -0.07 0.03 0.00 1.04 -1.08 0.00 0.00 179.45 179.37 3kx3 n GLN 310 N -3.67 1.55 -1.46 3.15 1.13 0.00 -4.46 117.38 113.62 3kx3 n GLN 310 Ca -0.03 -0.80 -0.40 0.00 -1.94 0.00 0.00 57.00 53.84 3kx3 n GLN 310 Cb 0.13 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 3kx3 n GLN 310 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kx3 n LEU 311 N -0.03 8.33 -0.23 1.08 4.77 -0.65 -4.72 117.00 125.54 3kx3 n LEU 311 Ca 0.20 -4.37 -0.06 0.00 -0.03 0.00 0.00 56.01 51.75 3kx3 n LEU 311 Cb 0.31 -1.56 0.04 0.00 -2.33 0.00 0.00 43.42 39.88 3kx3 n LEU 311 CO 0.17 1.88 1.09 0.11 -1.33 0.00 0.00 177.39 179.31 3kx3 h LYS 312 N 5.17 0.90 -0.39 3.23 1.79 -1.84 -1.67 116.57 123.76 3kx3 h LYS 312 Ca 0.80 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 59.07 3kx3 h LYS 312 Cb 0.36 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3kx3 h LYS 312 CO 1.78 0.66 -0.17 -0.92 -1.08 0.00 0.00 179.45 179.72 3kx3 h TYR 313 N 0.89 0.82 -0.66 -1.35 3.20 -1.98 -1.98 116.97 115.91 3kx3 h TYR 313 Ca 0.23 -0.17 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kx3 h TYR 313 Cb 0.01 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3kx3 h TYR 313 CO -0.01 0.85 0.43 0.28 -1.64 0.00 0.00 178.16 178.08 3kx3 h VAL 314 N 0.65 1.16 -0.76 1.81 2.07 -1.87 0.54 116.25 119.86 3kx3 h VAL 314 Ca 0.10 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.48 3kx3 h VAL 314 Cb 0.65 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 3kx3 h VAL 314 CO 0.05 0.16 0.25 1.23 0.02 0.00 0.00 177.57 179.28 3kx3 h GLY 315 N 0.88 1.12 1.11 2.17 0.00 -0.91 -0.76 103.07 106.68 3kx3 h GLY 315 Ca 0.25 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3kx3 h GLY 315 CO -0.06 -0.16 0.02 -0.33 0.00 0.00 0.00 176.54 176.01 3kx3 h MET 316 N 0.36 1.07 -0.42 4.80 2.07 -0.47 -1.29 114.93 121.05 3kx3 h MET 316 Ca 0.43 -0.33 -0.00 0.00 -2.07 0.00 0.00 59.70 57.73 3kx3 h MET 316 Cb 0.71 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.31 3kx3 h MET 316 CO -0.46 1.03 0.26 0.28 1.07 0.00 0.00 176.91 179.09 3kx3 h VAL 317 N 0.98 1.13 -0.63 -2.22 2.07 -0.44 -0.18 116.25 116.96 3kx3 h VAL 317 Ca 0.18 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3kx3 h VAL 317 Cb 0.54 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3kx3 h VAL 317 CO 0.03 0.13 0.35 -0.07 0.02 0.00 0.00 177.57 178.03 3kx3 h LEU 318 N 0.56 0.79 -1.43 2.57 3.38 -0.88 0.00 115.31 120.29 3kx3 h LEU 318 Ca 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kx3 h LEU 318 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3kx3 h LEU 318 CO -0.03 0.65 0.08 0.78 0.09 0.00 0.00 178.44 180.01 3kx3 h ASN 319 N 0.86 0.42 0.95 -0.43 2.35 -1.02 -0.81 115.58 117.90 3kx3 h ASN 319 Ca 0.22 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 3kx3 h ASN 319 Cb 0.04 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3kx3 h ASN 319 CO -0.04 0.43 -0.65 -0.08 -1.65 0.00 0.00 177.43 175.44 3kx3 h GLU 320 N 0.45 0.00 -0.29 0.81 4.57 -0.62 0.23 114.58 119.73 3kx3 h GLU 320 Ca 0.11 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3kx3 h GLU 320 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3kx3 h GLU 320 CO -0.00 0.65 -0.05 0.00 -1.18 0.00 0.00 179.01 178.42 3kx3 h ALA 321 N 1.35 0.40 0.00 2.92 0.00 -0.44 -2.94 119.26 120.56 3kx3 h ALA 321 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3kx3 h ALA 321 Cb 1.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kx3 h ALA 321 CO 0.08 0.20 -0.12 -0.07 0.00 0.00 0.00 179.25 179.34 3kx3 h LEU 322 N 0.32 0.00 0.31 0.00 3.38 -0.87 0.66 115.31 119.12 3kx3 h LEU 322 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3kx3 h LEU 322 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kx3 h LEU 322 CO 0.02 0.12 -0.15 -0.09 0.09 0.00 0.00 178.44 178.44 3kx3 h ARG 323 N 0.00 -0.40 -0.09 1.13 2.43 -0.45 -2.59 114.38 114.42 3kx3 h ARG 323 Ca -0.00 0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 3kx3 h ARG 323 Cb 0.24 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3kx3 h ARG 323 CO 0.02 -0.18 -0.74 -0.07 -1.51 0.00 0.00 179.97 177.49 3kx3 h LEU 324 N -0.56 0.80 -6.12 3.80 3.38 -1.34 -3.39 115.31 111.89 3kx3 h LEU 324 Ca -0.04 -0.67 -0.57 0.00 0.09 0.00 0.00 57.88 56.68 3kx3 h LEU 324 Cb 0.41 -0.24 -0.40 0.00 0.09 0.00 0.00 40.66 40.52 3kx3 h LEU 324 CO 0.07 1.35 -0.95 0.79 0.09 0.00 0.00 178.44 179.79 3kx3 n TRP 325 N -4.04 0.74 -1.76 1.13 7.02 0.21 -4.87 117.44 115.87 3kx3 n TRP 325 Ca -0.09 -3.72 -0.42 0.00 -1.02 0.00 0.00 57.50 52.26 3kx3 n TRP 325 Cb 0.73 -0.36 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 3kx3 n TRP 325 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3kx3 s PRO 326 N -1.42 4.14 0.00 -0.99 0.04 -0.97 -4.61 135.00 131.19 3kx3 s PRO 326 Ca 0.36 2.56 0.27 0.00 0.04 0.00 0.00 61.00 64.22 3kx3 s PRO 326 Cb 0.15 -3.34 0.84 0.00 0.04 0.00 0.00 34.50 32.18 3kx3 s PRO 326 CO -0.09 -0.78 1.63 0.25 0.04 0.00 0.00 177.00 178.05 3kx3 n THR 327 N 4.36 0.00 -3.78 1.26 -2.24 -1.26 -3.50 114.28 109.12 3kx3 n THR 327 Ca 0.16 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 3kx3 n THR 327 Cb 0.37 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 3kx3 n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx3 s ALA 328 N -2.82 3.37 -2.07 6.98 0.00 -1.26 -1.87 121.76 124.09 3kx3 s ALA 328 Ca 0.17 -2.98 0.12 0.00 0.00 0.00 0.00 51.96 49.28 3kx3 s ALA 328 Cb 0.19 -2.48 0.49 0.00 0.00 0.00 0.00 23.12 21.32 3kx3 s ALA 328 CO 0.59 -1.97 1.35 -0.35 0.00 0.00 0.00 175.76 175.39 3kx3 n PRO 329 N 3.86 1.49 -3.53 0.00 -0.04 -1.23 -4.80 135.00 130.75 3kx3 n PRO 329 Ca 0.04 -0.75 -0.12 0.00 -0.04 0.00 0.00 63.50 62.63 3kx3 n PRO 329 Cb 0.39 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 3kx3 n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx3 s ALA 330 N -1.77 -1.28 0.11 0.55 0.00 -1.26 -1.70 121.76 116.41 3kx3 s ALA 330 Ca 0.21 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 3kx3 s ALA 330 Cb 0.11 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3kx3 s ALA 330 CO 0.16 -0.68 0.06 -0.59 0.00 0.00 0.00 175.76 174.70 3kx3 s PHE 331 N -3.62 0.67 0.10 0.00 -0.12 -1.07 -4.98 117.98 108.95 3kx3 s PHE 331 Ca 0.01 -1.10 0.06 0.00 -0.05 0.00 0.00 56.93 55.85 3kx3 s PHE 331 Cb 0.00 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 3kx3 s PHE 331 CO -0.11 -0.49 -0.16 0.45 -0.05 0.00 0.00 175.22 174.85 3kx3 s SER 332 N -2.99 2.07 0.05 1.98 0.15 -1.26 -0.06 113.70 113.64 3kx3 s SER 332 Ca 0.17 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3kx3 s SER 332 Cb 0.07 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 3kx3 s SER 332 CO -0.03 -0.05 -0.08 -0.76 1.20 0.00 0.00 173.24 173.53 3kx3 s LEU 333 N -2.00 2.31 0.16 3.45 1.43 0.06 -0.73 118.68 123.37 3kx3 s LEU 333 Ca 0.04 -0.64 0.10 0.00 -1.03 0.00 0.00 54.13 52.60 3kx3 s LEU 333 Cb -0.09 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 3kx3 s LEU 333 CO 0.03 -0.25 -0.22 -0.72 0.23 0.00 0.00 176.35 175.42 3kx3 s TYR 334 N -1.80 2.11 -0.06 0.29 1.13 0.09 -0.60 117.35 118.50 3kx3 s TYR 334 Ca -0.05 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 54.91 3kx3 s TYR 334 Cb -0.07 -1.07 -0.04 0.00 -1.10 0.00 0.00 41.96 39.68 3kx3 s TYR 334 CO -0.00 0.39 1.32 0.00 -2.51 0.00 0.00 175.55 174.75 3kx3 s ALA 335 N -1.61 3.57 0.16 9.51 0.00 -0.35 -1.78 121.76 131.25 3kx3 s ALA 335 Ca 0.17 0.71 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3kx3 s ALA 335 Cb -0.08 -3.58 0.86 0.00 0.00 0.00 0.00 23.12 20.31 3kx3 s ALA 335 CO 0.08 -0.94 1.80 0.87 0.00 0.00 0.00 175.76 177.57 3kx3 h LYS 336 N 7.89 0.00 -3.67 0.00 1.57 -0.86 0.15 116.57 121.65 3kx3 h LYS 336 Ca -0.34 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 3kx3 h LYS 336 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.38 3kx3 h LYS 336 CO 0.91 0.27 -0.12 -1.21 -0.57 0.00 0.00 179.45 178.73 3kx3 s GLU 337 N -3.67 1.56 0.43 3.15 0.41 -1.26 -4.77 118.70 114.55 3kx3 s GLU 337 Ca 0.00 -1.27 -0.25 0.00 -0.41 0.00 0.00 54.97 53.04 3kx3 s GLU 337 Cb 0.11 0.47 -0.09 0.00 -1.78 0.00 0.00 34.13 32.83 3kx3 s GLU 337 CO 0.65 -0.65 1.30 -0.25 -0.49 0.00 0.00 175.26 175.82 3kx3 n ASP 338 N -0.41 2.67 -3.74 -0.19 8.00 -1.26 -3.95 116.55 117.66 3kx3 n ASP 338 Ca -0.01 1.10 -0.05 0.00 0.71 0.00 0.00 54.79 56.54 3kx3 n ASP 338 Cb 0.62 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 3kx3 n ASP 338 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kx3 s THR 339 N -1.20 0.00 -0.12 -3.53 -1.32 -0.52 -4.88 115.64 104.06 3kx3 s THR 339 Ca 0.61 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 3kx3 s THR 339 Cb -0.49 -1.87 -0.02 0.00 -1.51 0.00 0.00 72.50 68.61 3kx3 s THR 339 CO 0.58 0.00 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.16 3kx3 s VAL 340 N -3.41 3.04 -0.22 5.08 1.01 -1.26 -0.62 120.40 124.02 3kx3 s VAL 340 Ca 0.11 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3kx3 s VAL 340 Cb -0.02 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3kx3 s VAL 340 CO 0.02 0.53 0.33 -0.22 0.00 0.00 0.00 175.10 175.76 3kx3 s LEU 341 N 0.20 4.14 -0.76 3.92 2.96 0.22 -4.39 118.68 124.97 3kx3 s LEU 341 Ca -0.08 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3kx3 s LEU 341 Cb -0.15 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3kx3 s LEU 341 CO 0.05 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 3kx3 n GLY 342 N 4.08 0.88 2.98 7.98 0.00 -1.26 -1.36 105.19 118.48 3kx3 n GLY 342 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kx3 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx3 n GLY 343 N -1.32 0.50 0.00 -0.02 0.00 -1.26 -4.74 105.19 98.34 3kx3 n GLY 343 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3kx3 n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kx3 n GLU 344 N -1.79 3.26 -3.95 1.61 1.02 -0.78 -4.94 120.64 115.07 3kx3 n GLU 344 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3kx3 n GLU 344 Cb 0.08 -0.60 -0.15 0.00 -0.02 0.00 0.00 31.44 30.74 3kx3 n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3kx3 s TYR 345 N -0.71 2.86 0.11 -0.32 2.02 -0.47 -2.47 117.35 118.37 3kx3 s TYR 345 Ca 0.00 -2.24 -0.30 0.00 -0.37 0.00 0.00 57.07 54.16 3kx3 s TYR 345 Cb 0.00 -2.08 -0.07 0.00 -0.40 0.00 0.00 41.96 39.42 3kx3 s TYR 345 CO 0.00 -0.86 1.19 -2.14 -1.57 0.00 0.00 175.55 172.17 3kx3 s PRO 346 N 1.23 4.47 0.04 -1.71 0.02 -1.26 -0.61 135.00 137.18 3kx3 s PRO 346 Ca 0.01 1.80 0.08 0.00 0.02 0.00 0.00 61.00 62.91 3kx3 s PRO 346 Cb -0.19 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 3kx3 s PRO 346 CO -0.10 -0.17 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.68 3kx3 s LEU 347 N 0.54 2.47 0.28 -5.54 1.43 0.21 -4.93 118.68 113.14 3kx3 s LEU 347 Ca 0.56 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3kx3 s LEU 347 Cb -0.30 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3kx3 s LEU 347 CO 0.32 0.25 0.50 -1.61 0.23 0.00 0.00 176.35 176.05 3kx3 s GLU 348 N -1.39 3.55 0.08 1.70 2.02 -1.26 -1.45 118.70 121.95 3kx3 s GLU 348 Ca 0.14 -0.21 -0.37 0.00 0.02 0.00 0.00 54.97 54.55 3kx3 s GLU 348 Cb -0.10 -2.71 -0.17 0.00 0.10 0.00 0.00 34.13 31.24 3kx3 s GLU 348 CO 0.04 0.25 1.22 1.17 0.02 0.00 0.00 175.26 177.95 3kx3 n LYS 349 N -1.15 0.81 0.00 1.61 4.81 -1.25 -1.04 118.16 121.95 3kx3 n LYS 349 Ca -0.04 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 3kx3 n LYS 349 Cb 0.55 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.74 3kx3 n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kx3 n GLY 350 N 2.16 1.89 3.78 3.14 0.00 0.04 -4.94 105.19 111.25 3kx3 n GLY 350 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3kx3 n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kx3 s ASP 351 N -2.85 6.19 -0.04 1.61 1.01 -0.20 -4.55 116.67 117.83 3kx3 s ASP 351 Ca 0.00 3.03 -0.04 0.00 0.71 0.00 0.00 52.55 56.25 3kx3 s ASP 351 Cb 0.00 -2.67 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3kx3 s ASP 351 CO 0.00 -0.98 0.18 -1.61 0.21 0.00 0.00 175.17 172.98 3kx3 s GLU 352 N -2.21 3.46 0.04 8.23 2.02 -1.26 -1.21 118.70 127.77 3kx3 s GLU 352 Ca 0.55 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.38 3kx3 s GLU 352 Cb -0.46 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 3kx3 s GLU 352 CO 0.62 0.70 -0.21 -0.51 0.02 0.00 0.00 175.26 175.87 3kx3 s LEU 353 N -1.66 2.16 -0.12 1.80 1.43 0.23 -2.00 118.68 120.53 3kx3 s LEU 353 Ca 0.24 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3kx3 s LEU 353 Cb -0.13 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3kx3 s LEU 353 CO 0.14 0.18 -0.21 -0.32 0.23 0.00 0.00 176.35 176.37 3kx3 s MET 354 N -1.13 2.84 -0.29 1.70 -2.45 0.43 -0.76 119.30 119.64 3kx3 s MET 354 Ca 0.08 -0.80 -0.24 0.00 -1.25 0.00 0.00 55.69 53.48 3kx3 s MET 354 Cb -0.09 -2.25 -0.00 0.00 1.25 0.00 0.00 34.83 33.74 3kx3 s MET 354 CO 0.02 0.05 0.81 0.08 1.05 0.00 0.00 175.02 177.02 3kx3 s VAL 355 N 0.66 4.79 -1.00 10.11 1.01 0.91 -0.80 120.40 136.09 3kx3 s VAL 355 Ca -0.12 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 3kx3 s VAL 355 Cb -0.16 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 32.22 3kx3 s VAL 355 CO 0.02 -0.21 1.19 -0.22 0.00 0.00 0.00 175.10 175.88 3kx3 s LEU 356 N 2.96 5.15 0.29 3.92 2.96 -0.45 -2.58 118.68 130.93 3kx3 s LEU 356 Ca 0.33 -2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 51.88 3kx3 s LEU 356 Cb -0.14 -2.39 0.43 0.00 0.50 0.00 0.00 46.19 44.59 3kx3 s LEU 356 CO 0.11 -0.95 1.96 0.40 -1.32 0.00 0.00 176.35 176.55 3kx3 h ILE 357 N 5.45 1.20 0.00 6.68 2.04 -1.62 -1.64 117.51 129.61 3kx3 h ILE 357 Ca 0.20 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3kx3 h ILE 357 Cb 0.98 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3kx3 h ILE 357 CO 1.12 0.21 -0.20 -0.65 0.00 0.00 0.00 178.15 178.64 3kx3 h PRO 358 N 1.14 0.00 0.15 2.37 0.11 -1.88 -1.47 132.00 132.42 3kx3 h PRO 358 Ca 0.32 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.14 3kx3 h PRO 358 Cb -0.08 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.04 3kx3 h PRO 358 CO -0.08 0.20 -1.27 1.96 -0.21 0.00 0.00 178.00 178.60 3kx3 h GLN 359 N 0.00 0.42 -0.99 1.05 1.08 -1.65 -2.94 115.11 112.08 3kx3 h GLN 359 Ca -0.00 -0.65 0.14 0.00 -1.45 0.00 0.00 58.65 56.68 3kx3 h GLN 359 Cb 0.40 0.23 -0.09 0.00 -0.05 0.00 0.00 27.48 27.98 3kx3 h GLN 359 CO 0.03 1.29 0.62 1.25 -0.95 0.00 0.00 178.83 181.07 3kx3 h LEU 360 N 0.15 0.87 0.00 1.46 5.85 -1.00 -0.54 115.31 122.09 3kx3 h LEU 360 Ca -0.17 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3kx3 h LEU 360 Cb 1.97 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3kx3 h LEU 360 CO 0.23 0.43 0.00 1.41 -0.34 0.00 0.00 178.44 180.17 3kx3 n HIS 361 N -4.64 0.00 -0.87 1.25 8.25 -0.58 -2.14 115.22 116.49 3kx3 n HIS 361 Ca 0.20 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.74 3kx3 n HIS 361 Cb 0.41 -0.09 0.26 0.00 1.12 0.00 0.00 29.99 31.68 3kx3 n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kx3 n ARG 362 N -1.09 3.05 -2.27 -0.41 1.74 -0.22 -4.87 116.66 112.58 3kx3 n ARG 362 Ca 0.21 -2.75 -0.43 0.00 -0.77 0.00 0.00 57.85 54.10 3kx3 n ARG 362 Cb 0.15 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 3kx3 n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3kx3 s ASP 363 N -1.72 6.24 0.57 0.55 -1.08 -0.91 -4.85 116.67 115.46 3kx3 s ASP 363 Ca 0.40 0.92 0.30 0.00 -0.52 0.00 0.00 52.55 53.65 3kx3 s ASP 363 Cb 0.32 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.96 3kx3 s ASP 363 CO 0.10 -1.50 2.19 0.11 0.52 0.00 0.00 175.17 176.60 3kx3 h LYS 364 N 11.18 0.00 0.00 4.34 1.57 -1.92 -1.37 116.57 130.37 3kx3 h LYS 364 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3kx3 h LYS 364 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3kx3 h LYS 364 CO 1.08 0.04 0.00 1.79 -0.57 0.00 0.00 179.45 181.79 3kx3 h THR 365 N 0.00 0.00 0.00 -0.16 1.35 -1.89 -0.63 112.91 111.59 3kx3 h THR 365 Ca -0.00 -0.35 -0.42 0.00 -0.55 0.00 0.00 66.41 65.09 3kx3 h THR 365 Cb 0.13 1.30 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 3kx3 h THR 365 CO 0.01 0.00 -2.42 -0.38 -0.25 0.00 0.00 175.52 172.48 3kx3 n ILE 366 N -2.97 1.40 0.94 6.82 2.08 -0.58 -4.69 119.36 122.36 3kx3 n ILE 366 Ca -0.00 -0.39 0.10 0.00 0.56 0.00 0.00 62.75 63.02 3kx3 n ILE 366 Cb 0.24 -1.75 -0.12 0.00 -0.75 0.00 0.00 39.64 37.26 3kx3 n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 3kx3 n TRP 367 N -3.95 0.00 -0.40 1.39 7.02 -0.83 -5.01 117.44 115.66 3kx3 n TRP 367 Ca -0.49 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 3kx3 n TRP 367 Cb 0.88 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.74 3kx3 n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kx3 n GLY 368 N 1.49 -3.14 0.20 6.99 0.00 -0.25 -4.64 105.19 105.84 3kx3 n GLY 368 Ca 0.04 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.24 3kx3 n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kx3 h ASP 369 N 0.00 0.00 -0.38 1.61 3.32 -1.96 -3.32 116.42 115.69 3kx3 h ASP 369 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3kx3 h ASP 369 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 3kx3 h ASP 369 CO 0.00 0.21 0.29 -0.90 -1.72 0.00 0.00 179.24 177.12 3kx3 n ASP 370 N -3.22 4.86 0.29 6.45 3.85 -1.26 -4.57 116.55 122.95 3kx3 n ASP 370 Ca 0.02 -2.78 0.17 0.00 -0.71 0.00 0.00 54.79 51.48 3kx3 n ASP 370 Cb 0.53 -0.86 0.84 0.00 -1.35 0.00 0.00 41.12 40.28 3kx3 n ASP 370 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3kx3 h VAL 371 N 0.71 0.25 -0.00 2.12 -1.51 -1.87 -0.66 116.25 115.29 3kx3 h VAL 371 Ca 0.24 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3kx3 h VAL 371 Cb 1.30 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3kx3 h VAL 371 CO 0.52 0.05 -0.12 -0.62 -1.23 0.00 0.00 177.57 176.18 3kx3 n GLU 372 N -3.32 0.43 -2.73 5.19 -0.58 -1.26 -4.86 120.64 113.50 3kx3 n GLU 372 Ca -0.01 -0.12 -0.34 0.00 -0.42 0.00 0.00 57.16 56.26 3kx3 n GLU 372 Cb 0.22 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 3kx3 n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kx3 s GLU 373 N -2.65 4.23 -0.56 3.49 2.02 -0.26 -5.00 118.70 119.97 3kx3 s GLU 373 Ca 0.24 1.26 -0.18 0.00 0.02 0.00 0.00 54.97 56.31 3kx3 s GLU 373 Cb 0.20 -2.35 0.10 0.00 0.10 0.00 0.00 34.13 32.18 3kx3 s GLU 373 CO 0.51 -0.04 0.62 0.12 0.02 0.00 0.00 175.26 176.49 3kx3 s PHE 374 N -1.96 3.08 -0.38 1.61 5.36 -1.26 -4.99 117.98 119.44 3kx3 s PHE 374 Ca 0.60 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3kx3 s PHE 374 Cb -0.14 -3.83 0.13 0.00 -0.34 0.00 0.00 43.02 38.84 3kx3 s PHE 374 CO 0.18 -1.16 0.20 0.50 -1.46 0.00 0.00 175.22 173.49 3kx3 s ARG 375 N 2.35 0.88 0.53 10.12 3.52 -1.26 -5.00 118.95 130.09 3kx3 s ARG 375 Ca 0.09 -1.56 0.27 0.00 -0.13 0.00 0.00 55.73 54.41 3kx3 s ARG 375 Cb -0.25 -1.85 1.42 0.00 -1.56 0.00 0.00 34.95 32.72 3kx3 s ARG 375 CO 0.06 -1.15 1.97 -1.35 -0.81 0.00 0.00 175.30 174.02 3kx3 h PRO 376 N 7.10 0.00 0.00 5.12 0.11 -1.94 -1.49 132.00 140.91 3kx3 h PRO 376 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3kx3 h PRO 376 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3kx3 h PRO 376 CO 0.40 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.12 3kx3 h GLU 377 N 0.00 0.00 -1.27 1.05 3.07 -1.94 -1.20 114.58 114.29 3kx3 h GLU 377 Ca 0.29 0.00 0.37 0.00 -0.50 0.00 0.00 59.36 59.52 3kx3 h GLU 377 Cb 1.19 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 3kx3 h GLU 377 CO -0.00 0.00 0.90 0.00 -1.40 0.00 0.00 179.01 178.50 3kx3 h ARG 378 N 0.00 0.06 -0.64 2.33 3.08 -1.67 -1.07 114.38 116.47 3kx3 h ARG 378 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kx3 h ARG 378 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kx3 h ARG 378 CO 0.00 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 180.13 3kx3 n PHE 379 N -4.25 1.51 -0.24 3.04 3.01 -0.45 -4.54 117.46 115.54 3kx3 n PHE 379 Ca 0.29 -0.56 -0.08 0.00 1.01 0.00 0.00 57.45 58.11 3kx3 n PHE 379 Cb 1.30 -0.33 0.04 0.00 -0.01 0.00 0.00 39.48 40.48 3kx3 n PHE 379 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3kx3 h GLU 380 N 3.46 1.10 -2.83 -1.08 5.08 -1.36 -3.34 114.58 115.61 3kx3 h GLU 380 Ca 0.00 -0.28 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 3kx3 h GLU 380 Cb 1.50 -0.14 -0.41 0.00 0.50 0.00 0.00 28.75 30.21 3kx3 h GLU 380 CO 0.30 0.99 -0.70 0.09 -1.00 0.00 0.00 179.01 178.69 3kx3 n ASN 381 N -4.25 1.94 0.31 1.42 4.13 -1.26 -4.97 115.26 112.57 3kx3 n ASN 381 Ca 0.04 -2.96 0.20 0.00 1.68 0.00 0.00 54.58 53.55 3kx3 n ASN 381 Cb 0.27 -0.69 0.97 0.00 -1.54 0.00 0.00 39.78 38.79 3kx3 n ASN 381 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3kx3 h PRO 382 N 5.41 0.00 0.00 3.52 0.11 -1.88 -1.04 132.00 138.12 3kx3 h PRO 382 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3kx3 h PRO 382 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3kx3 h PRO 382 CO 0.61 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 3kx3 h SER 383 N 0.00 0.00 1.23 -2.05 4.64 -1.95 -2.32 113.55 113.10 3kx3 h SER 383 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kx3 h SER 383 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3kx3 h SER 383 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3kx3 h ALA 384 N 2.15 1.00 -2.35 5.18 0.00 -1.61 -3.44 119.26 120.19 3kx3 h ALA 384 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3kx3 h ALA 384 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kx3 h ALA 384 CO 0.00 0.00 0.61 0.42 0.00 0.00 0.00 179.25 180.28 3kx3 s ILE 385 N -3.31 4.37 0.97 0.00 1.01 -0.88 -5.01 121.20 118.36 3kx3 s ILE 385 Ca 0.06 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 3kx3 s ILE 385 Cb 0.09 -4.08 0.17 0.00 0.01 0.00 0.00 42.46 38.66 3kx3 s ILE 385 CO 0.53 0.05 1.11 -2.84 0.00 0.00 0.00 174.94 173.79 3kx3 s PRO 386 N 1.77 0.61 0.40 2.79 0.02 -1.26 -4.92 135.00 134.42 3kx3 s PRO 386 Ca 0.55 1.31 -0.27 0.00 0.02 0.00 0.00 61.00 62.61 3kx3 s PRO 386 Cb -0.24 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 3kx3 s PRO 386 CO 0.24 -2.83 1.43 -0.65 -0.33 0.00 0.00 177.00 174.85 3kx3 s GLN 387 N -4.63 3.97 -1.96 5.54 -0.21 -1.26 -2.76 119.66 118.35 3kx3 s GLN 387 Ca 0.67 2.43 0.00 0.00 0.02 0.00 0.00 55.36 58.48 3kx3 s GLN 387 Cb -0.23 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 30.94 3kx3 s GLN 387 CO 0.59 -0.59 0.00 0.72 -2.12 0.00 0.00 175.29 173.89 3kx3 n HIS 388 N 0.23 -0.05 0.06 0.91 8.25 -1.26 -4.83 115.22 118.53 3kx3 n HIS 388 Ca 0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 3kx3 n HIS 388 Cb 0.41 -3.19 -0.08 0.00 1.12 0.00 0.00 29.99 28.25 3kx3 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kx3 h ALA 389 N 0.05 0.55 -3.45 -1.41 0.00 -1.88 -3.43 119.26 109.69 3kx3 h ALA 389 Ca -0.38 -0.90 -0.58 0.00 0.00 0.00 0.00 54.91 53.04 3kx3 h ALA 389 Cb 1.22 0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.67 3kx3 h ALA 389 CO 0.56 1.12 -0.77 0.12 0.00 0.00 0.00 179.25 180.28 3kx3 s PHE 390 N -2.78 1.99 -0.36 0.00 5.36 -1.26 -4.58 117.98 116.36 3kx3 s PHE 390 Ca 0.00 -1.60 0.14 0.00 -0.96 0.00 0.00 56.93 54.51 3kx3 s PHE 390 Cb 0.09 -1.55 0.44 0.00 -0.34 0.00 0.00 43.02 41.65 3kx3 s PHE 390 CO 0.80 -0.76 0.96 1.63 -1.46 0.00 0.00 175.22 176.39 3kx3 n LYS 391 N 4.78 1.65 0.03 10.12 4.76 -1.26 -4.86 118.16 133.37 3kx3 n LYS 391 Ca -0.08 -3.57 0.10 0.00 -2.87 0.00 0.00 58.31 51.89 3kx3 n LYS 391 Cb 0.44 -1.53 0.43 0.00 -1.84 0.00 0.00 35.03 32.53 3kx3 n LYS 391 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3kx3 n PRO 392 N -0.11 0.06 -0.43 1.97 -0.04 -1.26 -2.58 135.00 132.60 3kx3 n PRO 392 Ca 0.18 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 3kx3 n PRO 392 Cb 0.75 -1.59 0.20 0.00 -0.04 0.00 0.00 33.50 32.82 3kx3 n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kx3 n PHE 393 N -1.69 0.46 -4.08 0.54 3.72 -1.26 -4.77 117.46 110.39 3kx3 n PHE 393 Ca 0.04 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.23 3kx3 n PHE 393 Cb 0.25 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 3kx3 n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kx3 n GLY 394 N -1.09 -0.83 3.13 1.37 0.00 -1.07 -0.73 105.19 105.97 3kx3 n GLY 394 Ca 0.22 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3kx3 n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kx3 s ASN 395 N -4.00 -0.25 0.53 1.61 2.47 -1.26 -4.84 114.94 109.20 3kx3 s ASN 395 Ca 0.00 0.47 0.00 0.00 0.42 0.00 0.00 52.86 53.75 3kx3 s ASN 395 Cb 0.00 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 3kx3 s ASN 395 CO 0.00 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 3kx3 n GLY 396 N 2.89 0.69 0.09 1.21 0.00 -1.26 -2.08 105.19 106.74 3kx3 n GLY 396 Ca -0.13 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.19 3kx3 n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx3 n GLN 397 N 3.13 0.12 -0.66 1.61 10.64 -1.26 -1.66 117.38 129.30 3kx3 n GLN 397 Ca 0.00 0.40 0.08 0.00 -1.83 0.00 0.00 57.00 55.65 3kx3 n GLN 397 Cb 0.00 -1.75 0.34 0.00 -0.86 0.00 0.00 30.24 27.97 3kx3 n GLN 397 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3kx3 n ARG 398 N -1.98 3.94 -0.94 2.61 5.12 -1.10 -4.99 116.66 119.33 3kx3 n ARG 398 Ca 0.02 -2.93 -0.30 0.00 -1.93 0.00 0.00 57.85 52.72 3kx3 n ARG 398 Cb 0.18 -1.98 0.17 0.00 -1.16 0.00 0.00 32.46 29.68 3kx3 n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kx3 s ALA 399 N -2.30 0.98 0.13 7.54 0.00 -0.67 -4.43 121.76 123.01 3kx3 s ALA 399 Ca 0.49 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3kx3 s ALA 399 Cb 0.35 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 3kx3 s ALA 399 CO 0.18 -2.84 1.77 0.00 0.00 0.00 0.00 175.76 174.87 3kx3 h ILE 401 N 4.51 0.00 -0.50 0.00 2.10 -1.91 -3.31 117.51 118.40 3kx3 h ILE 401 Ca -0.45 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 64.81 3kx3 h ILE 401 Cb 1.21 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 3kx3 h ILE 401 CO 0.94 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.62 3kx3 n GLY 402 N 1.14 2.93 0.28 8.18 0.00 -1.26 -4.65 105.19 111.81 3kx3 n GLY 402 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.38 3kx3 n GLY 402 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kx3 h GLN 403 N 3.08 0.60 0.00 1.61 4.15 -1.97 -0.98 115.11 121.59 3kx3 h GLN 403 Ca 0.00 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 3kx3 h GLN 403 Cb 1.15 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 3kx3 h GLN 403 CO 0.12 0.40 -0.65 1.96 -1.93 0.00 0.00 178.83 178.73 3kx3 h GLN 404 N 0.62 0.00 -0.04 1.69 1.08 -1.90 -1.30 115.11 115.25 3kx3 h GLN 404 Ca 0.38 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 3kx3 h GLN 404 Cb 0.45 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3kx3 h GLN 404 CO -0.30 0.65 0.02 0.35 -0.95 0.00 0.00 178.83 178.61 3kx3 h PHE 405 N 0.00 0.06 -0.36 2.96 3.04 -1.60 -0.28 116.94 120.76 3kx3 h PHE 405 Ca -0.01 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 3kx3 h PHE 405 Cb 1.21 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 3kx3 h PHE 405 CO 0.00 0.16 0.01 0.00 -2.02 0.00 0.00 178.31 176.46 3kx3 h ALA 406 N 0.90 0.48 -0.20 2.41 0.00 -0.99 -1.16 119.26 120.71 3kx3 h ALA 406 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3kx3 h ALA 406 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kx3 h ALA 406 CO -0.00 0.23 -0.29 -0.07 0.00 0.00 0.00 179.25 179.12 3kx3 h LEU 407 N 0.44 0.40 -0.21 0.00 3.38 -1.19 0.36 115.31 118.50 3kx3 h LEU 407 Ca 0.10 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3kx3 h LEU 407 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kx3 h LEU 407 CO 0.02 0.68 -0.47 -0.74 0.09 0.00 0.00 178.44 178.01 3kx3 h HIS 408 N 0.34 0.87 0.07 1.13 2.76 -0.79 -0.65 115.15 118.88 3kx3 h HIS 408 Ca 0.05 -0.33 -0.00 0.00 -2.20 0.00 0.00 60.37 57.89 3kx3 h HIS 408 Cb 0.69 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.50 3kx3 h HIS 408 CO 0.02 1.11 -0.03 1.49 -1.30 0.00 0.00 177.93 179.22 3kx3 h GLU 409 N 0.39 -0.09 -0.30 5.26 4.81 -1.10 -0.61 114.58 122.94 3kx3 h GLU 409 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3kx3 h GLU 409 Cb 1.08 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3kx3 h GLU 409 CO 0.10 -0.05 -0.16 0.00 -0.73 0.00 0.00 179.01 178.17 3kx3 h ALA 410 N 0.83 1.17 -0.27 2.92 0.00 -0.90 -1.05 119.26 121.96 3kx3 h ALA 410 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 3kx3 h ALA 410 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kx3 h ALA 410 CO 0.02 0.53 -0.39 1.15 0.00 0.00 0.00 179.25 180.56 3kx3 h THR 411 N 0.48 1.30 -0.16 0.00 2.02 -0.85 -0.80 112.91 114.90 3kx3 h THR 411 Ca 0.08 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.73 3kx3 h THR 411 Cb 0.56 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 3kx3 h THR 411 CO 0.04 0.50 -0.09 0.25 0.37 0.00 0.00 175.52 176.59 3kx3 h LEU 412 N 0.48 -0.30 -0.17 2.58 5.85 -0.94 -0.31 115.31 122.50 3kx3 h LEU 412 Ca 0.03 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3kx3 h LEU 412 Cb 0.98 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3kx3 h LEU 412 CO 0.09 -0.12 -0.37 0.58 -0.34 0.00 0.00 178.44 178.28 3kx3 h VAL 413 N -0.09 1.35 -0.60 1.05 2.07 -1.13 -0.73 116.25 118.18 3kx3 h VAL 413 Ca 0.09 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 3kx3 h VAL 413 Cb 0.22 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3kx3 h VAL 413 CO -0.22 0.49 0.12 0.25 0.02 0.00 0.00 177.57 178.24 3kx3 h LEU 414 N 0.19 0.90 -0.02 2.57 5.85 -1.15 0.12 115.31 123.77 3kx3 h LEU 414 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3kx3 h LEU 414 Cb 0.97 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3kx3 h LEU 414 CO 0.08 0.89 -0.02 1.23 -0.34 0.00 0.00 178.44 180.29 3kx3 h GLY 415 N 1.02 0.01 1.02 3.75 0.00 -0.86 -1.05 103.07 106.95 3kx3 h GLY 415 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3kx3 h GLY 415 CO 0.01 -0.02 0.49 -0.33 0.00 0.00 0.00 176.54 176.69 3kx3 h MET 416 N -0.02 1.15 -0.83 4.80 2.86 -0.73 -0.45 114.93 121.71 3kx3 h MET 416 Ca 0.02 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3kx3 h MET 416 Cb 0.04 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.42 3kx3 h MET 416 CO -0.03 0.82 0.54 0.52 1.06 0.00 0.00 176.91 179.81 3kx3 h MET 417 N 1.16 1.11 0.00 1.72 2.07 -0.51 -1.73 114.93 118.75 3kx3 h MET 417 Ca 0.30 -0.08 -0.12 0.00 -2.07 0.00 0.00 59.70 57.73 3kx3 h MET 417 Cb -0.02 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.45 3kx3 h MET 417 CO -0.05 0.75 -0.57 -0.07 1.07 0.00 0.00 176.91 178.04 3kx3 h LEU 418 N 1.13 0.00 -0.42 1.22 3.38 -0.82 -1.60 115.31 118.20 3kx3 h LEU 418 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 3kx3 h LEU 418 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kx3 h LEU 418 CO -0.06 0.57 -0.67 0.50 0.09 0.00 0.00 178.44 178.87 3kx3 h LYS 419 N 0.00 0.50 0.00 1.13 3.64 -0.86 -3.38 116.57 117.59 3kx3 h LYS 419 Ca -0.01 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3kx3 h LYS 419 Cb 1.40 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3kx3 h LYS 419 CO 0.07 0.99 -1.65 0.72 -2.27 0.00 0.00 179.45 177.31 3kx3 n HIS 420 N -3.89 0.00 -4.06 1.91 8.25 -0.67 -4.85 115.22 111.91 3kx3 n HIS 420 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 3kx3 n HIS 420 Cb 0.67 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 3kx3 n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kx3 s PHE 421 N -3.33 0.49 -0.08 4.41 0.08 -0.63 -0.74 117.98 118.18 3kx3 s PHE 421 Ca -0.03 -0.80 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 3kx3 s PHE 421 Cb 0.14 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 3kx3 s PHE 421 CO 0.89 -0.25 0.11 -0.51 -0.10 0.00 0.00 175.22 175.35 3kx3 s ASP 422 N -2.27 6.04 0.04 1.36 1.01 -0.36 -4.66 116.67 117.83 3kx3 s ASP 422 Ca -0.03 0.34 0.04 0.00 0.71 0.00 0.00 52.55 53.61 3kx3 s ASP 422 Cb -0.01 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3kx3 s ASP 422 CO -0.05 0.36 -0.07 -0.36 0.21 0.00 0.00 175.17 175.26 3kx3 s PHE 423 N -1.07 2.86 -0.04 4.23 0.08 -1.26 -0.12 117.98 122.66 3kx3 s PHE 423 Ca 0.18 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.20 3kx3 s PHE 423 Cb -0.12 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 3kx3 s PHE 423 CO 0.07 0.40 -0.15 -2.00 -0.10 0.00 0.00 175.22 173.44 3kx3 s GLU 424 N -1.74 1.64 -1.27 0.44 2.12 0.16 -4.99 118.70 115.06 3kx3 s GLU 424 Ca 0.19 -0.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.89 3kx3 s GLU 424 Cb -0.11 -1.42 0.16 0.00 0.26 0.00 0.00 34.13 33.02 3kx3 s GLU 424 CO 0.11 0.18 1.80 -3.47 -0.54 0.00 0.00 175.26 173.34 3kx3 n ASP 425 N 3.28 5.07 0.28 -1.70 2.03 -1.26 -1.16 116.55 123.10 3kx3 n ASP 425 Ca -0.19 -3.07 0.17 0.00 0.52 0.00 0.00 54.79 52.22 3kx3 n ASP 425 Cb 0.53 -1.51 0.78 0.00 -0.72 0.00 0.00 41.12 40.20 3kx3 n ASP 425 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3kx3 h HIS 426 N 6.05 0.00 -0.19 -0.67 2.07 -1.93 -2.18 115.15 118.30 3kx3 h HIS 426 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3kx3 h HIS 426 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3kx3 h HIS 426 CO 1.23 0.03 0.00 0.25 -3.07 0.00 0.00 177.93 176.37 3kx3 n THR 427 N -3.17 0.24 -3.81 6.12 -2.24 -1.26 -4.99 114.28 105.18 3kx3 n THR 427 Ca -0.00 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 3kx3 n THR 427 Cb 0.26 1.23 0.03 0.00 -2.10 0.00 0.00 70.33 69.75 3kx3 n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kx3 n ASN 428 N 1.32 -4.98 -4.73 3.42 5.15 -0.82 -4.80 115.26 109.82 3kx3 n ASN 428 Ca 0.15 -1.07 -0.42 0.00 -0.60 0.00 0.00 54.58 52.64 3kx3 n ASN 428 Cb 0.57 -2.64 -0.02 0.00 -0.53 0.00 0.00 39.78 37.15 3kx3 n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kx3 n TYR 429 N -4.19 2.77 -3.28 1.20 9.36 -1.26 -4.94 117.16 116.82 3kx3 n TYR 429 Ca -0.12 0.18 -0.40 0.00 3.32 0.00 0.00 57.90 60.88 3kx3 n TYR 429 Cb 0.59 -2.62 -0.08 0.00 -0.63 0.00 0.00 39.34 36.60 3kx3 n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3kx3 s GLU 430 N 0.15 3.93 0.15 2.98 2.56 -1.26 -5.03 118.70 122.18 3kx3 s GLU 430 Ca 0.69 0.11 -0.34 0.00 0.00 0.00 0.00 54.97 55.42 3kx3 s GLU 430 Cb -0.51 -3.70 -0.15 0.00 2.00 0.00 0.00 34.13 31.77 3kx3 s GLU 430 CO 0.42 -0.41 1.48 -0.11 -0.56 0.00 0.00 175.26 176.08 3kx3 n LEU 431 N 5.54 2.67 -3.56 2.70 7.94 -1.26 -4.96 117.00 126.06 3kx3 n LEU 431 Ca -0.05 1.10 -0.23 0.00 -1.11 0.00 0.00 56.01 55.72 3kx3 n LEU 431 Cb 0.50 -1.36 -0.15 0.00 0.53 0.00 0.00 43.42 42.94 3kx3 n LEU 431 CO 0.41 -0.54 -0.28 -0.62 -1.11 0.00 0.00 177.39 175.25 3kx3 s ASP 432 N 0.70 1.96 -0.32 1.96 2.15 -1.26 -5.07 116.67 116.79 3kx3 s ASP 432 Ca 0.79 -0.46 -0.14 0.00 0.43 0.00 0.00 52.55 53.16 3kx3 s ASP 432 Cb -0.75 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 41.85 3kx3 s ASP 432 CO 0.42 -0.34 0.34 -0.63 -0.17 0.00 0.00 175.17 174.78 3kx3 s ILE 433 N 2.21 5.19 0.08 4.11 1.01 -1.26 -0.21 121.20 132.33 3kx3 s ILE 433 Ca 0.04 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.60 3kx3 s ILE 433 Cb -0.16 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3kx3 s ILE 433 CO -0.10 0.01 0.74 -0.75 0.00 0.00 0.00 174.94 174.83 3kx3 s LYS 434 N 1.98 4.48 -0.15 2.79 2.20 -0.07 -4.90 119.74 126.07 3kx3 s LYS 434 Ca 0.11 1.03 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 3kx3 s LYS 434 Cb -0.16 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3kx3 s LYS 434 CO 0.11 0.40 -0.06 -1.21 -0.36 0.00 0.00 175.35 174.24 3kx3 s GLU 435 N -0.45 3.62 -0.39 4.03 2.02 -1.26 -2.15 118.70 124.12 3kx3 s GLU 435 Ca 0.36 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.91 3kx3 s GLU 435 Cb -0.21 -2.86 0.33 0.00 0.10 0.00 0.00 34.13 31.49 3kx3 s GLU 435 CO 0.23 0.23 0.71 0.25 0.02 0.00 0.00 175.26 176.71 3kx3 n THR 436 N 3.54 -0.02 0.00 3.63 -2.24 -1.26 -4.92 114.28 113.00 3kx3 n THR 436 Ca -0.18 -4.57 0.00 0.00 -2.27 0.00 0.00 64.05 57.03 3kx3 n THR 436 Cb 0.52 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3kx3 n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kx3 n LEU 437 N 0.42 0.00 -4.75 3.22 4.77 -1.26 -4.67 117.00 114.72 3kx3 n LEU 437 Ca 0.25 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 3kx3 n LEU 437 Cb 0.62 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.86 3kx3 n LEU 437 CO 0.22 0.00 0.69 0.42 -1.33 0.00 0.00 177.39 177.39 3kx3 s THR 438 N 0.00 1.99 -0.02 -5.08 -4.23 -1.26 -4.51 115.64 102.52 3kx3 s THR 438 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 3kx3 s THR 438 Cb 0.00 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 3kx3 s THR 438 CO 0.00 0.00 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.06 3kx3 s LEU 439 N -6.18 2.06 0.03 4.79 1.43 -0.78 -4.37 118.68 115.64 3kx3 s LEU 439 Ca 0.65 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.04 3kx3 s LEU 439 Cb -0.15 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.78 3kx3 s LEU 439 CO 0.55 0.32 0.53 -0.75 0.23 0.00 0.00 176.35 177.23 3kx3 s LYS 440 N -0.64 1.01 0.51 1.70 2.20 -0.91 -4.64 119.74 118.97 3kx3 s LYS 440 Ca 0.10 -0.15 -0.22 0.00 -0.36 0.00 0.00 55.97 55.35 3kx3 s LYS 440 Cb -0.10 0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 36.62 3kx3 s LYS 440 CO -0.01 -0.35 1.22 -2.14 -0.36 0.00 0.00 175.35 173.71 3kx3 s PRO 441 N -2.15 3.44 -0.08 4.03 0.02 -1.26 -0.89 135.00 138.11 3kx3 s PRO 441 Ca -0.07 1.90 0.03 0.00 0.02 0.00 0.00 61.00 62.89 3kx3 s PRO 441 Cb -0.01 -2.27 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 3kx3 s PRO 441 CO 0.01 -0.85 -0.18 -2.00 -0.33 0.00 0.00 177.00 173.65 3kx3 s GLU 442 N -2.89 2.81 0.00 5.54 2.12 0.71 -4.68 118.70 122.31 3kx3 s GLU 442 Ca 0.68 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 55.24 3kx3 s GLU 442 Cb -0.32 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 31.69 3kx3 s GLU 442 CO 0.38 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.91 3kx3 n GLY 443 N 2.94 0.80 3.67 -1.50 0.00 -1.26 -4.49 105.19 105.35 3kx3 n GLY 443 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3kx3 n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kx3 s PHE 444 N -3.07 2.63 0.06 1.61 5.36 -1.26 -4.98 117.98 118.32 3kx3 s PHE 444 Ca 0.00 0.72 0.04 0.00 -0.96 0.00 0.00 56.93 56.73 3kx3 s PHE 444 Cb 0.00 -3.67 -0.03 0.00 -0.34 0.00 0.00 43.02 38.98 3kx3 s PHE 444 CO 0.00 -2.56 -0.12 0.14 -1.46 0.00 0.00 175.22 171.22 3kx3 s VAL 445 N 3.16 0.94 0.13 3.12 -7.23 -1.26 -1.21 120.40 118.06 3kx3 s VAL 445 Ca 0.63 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 3kx3 s VAL 445 Cb -0.29 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 3kx3 s VAL 445 CO 0.24 -0.21 0.08 0.68 -0.31 0.00 0.00 175.10 175.57 3kx3 s VAL 446 N -1.18 0.10 -0.06 1.32 -7.23 -0.89 -4.61 120.40 107.85 3kx3 s VAL 446 Ca -0.03 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3kx3 s VAL 446 Cb -0.09 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3kx3 s VAL 446 CO 0.02 -0.44 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.78 3kx3 s LYS 447 N -4.04 2.79 -0.12 4.82 1.02 -0.31 -0.43 119.74 123.47 3kx3 s LYS 447 Ca 0.24 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.72 3kx3 s LYS 447 Cb 0.07 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 3kx3 s LYS 447 CO 0.02 0.66 -0.23 0.00 -0.92 0.00 0.00 175.35 174.88 3kx3 s ALA 448 N -0.88 2.21 -0.26 5.17 0.00 -1.26 -0.66 121.76 126.08 3kx3 s ALA 448 Ca 0.14 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 3kx3 s ALA 448 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3kx3 s ALA 448 CO 0.03 0.12 0.12 0.21 0.00 0.00 0.00 175.76 176.24 3kx3 s LYS 449 N 0.60 3.79 0.33 0.00 2.20 0.83 -4.92 119.74 122.57 3kx3 s LYS 449 Ca -0.13 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 3kx3 s LYS 449 Cb -0.17 -3.45 -0.11 0.00 -1.51 0.00 0.00 37.83 32.59 3kx3 s LYS 449 CO 0.03 -0.16 1.55 0.45 -0.36 0.00 0.00 175.35 176.86 3kx3 s SER 450 N 1.60 6.34 0.00 1.43 0.15 -1.26 -1.23 113.70 120.74 3kx3 s SER 450 Ca 0.06 3.01 0.29 0.00 0.70 0.00 0.00 55.95 60.01 3kx3 s SER 450 Cb -0.15 -2.65 1.43 0.00 -1.71 0.00 0.00 66.02 62.93 3kx3 s SER 450 CO 0.06 -0.91 1.95 0.29 1.20 0.00 0.00 173.24 175.84 3kx3 n LYS 451 N 1.38 1.32 -3.39 5.44 5.02 0.08 -4.88 118.16 123.13 3kx3 n LYS 451 Ca 0.05 -0.47 -0.24 0.00 -2.02 0.00 0.00 58.31 55.63 3kx3 n LYS 451 Cb 0.38 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3kx3 n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kx3 n LYS 452 N -0.41 -6.47 -3.24 1.97 4.76 -1.26 -4.98 118.16 108.53 3kx3 n LYS 452 Ca 0.21 0.83 -0.40 0.00 -2.87 0.00 0.00 58.31 56.08 3kx3 n LYS 452 Cb 0.22 -5.79 -0.08 0.00 -1.84 0.00 0.00 35.03 27.54 3kx3 n LYS 452 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kx3 s ILE 453 N -3.25 5.05 0.63 -0.18 1.01 -1.26 -5.05 121.20 118.14 3kx3 s ILE 453 Ca 0.48 0.70 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 3kx3 s ILE 453 Cb -0.22 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3kx3 s ILE 453 CO 0.59 -0.02 1.30 -2.16 0.00 0.00 0.00 174.94 174.66 3kx3 s PRO 454 N 2.35 2.69 -0.05 2.79 0.04 -1.26 -4.98 135.00 136.56 3kx3 s PRO 454 Ca 0.20 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.37 3kx3 s PRO 454 Cb -0.15 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3kx3 s PRO 454 CO 0.11 -1.50 -0.16 -1.17 0.04 0.00 0.00 177.00 174.31 3kx3 s LEU 455 N -4.19 2.60 0.97 -3.56 2.96 -1.26 -4.90 118.68 111.30 3kx3 s LEU 455 Ca 0.80 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 54.31 3kx3 s LEU 455 Cb -0.38 -1.52 0.17 0.00 0.50 0.00 0.00 46.19 44.97 3kx3 s LEU 455 CO 0.41 0.32 1.16 -0.83 -1.32 0.00 0.00 176.35 176.08 3kx3 s GLY 456 N -0.57 1.60 0.69 7.98 0.00 -0.65 -5.01 107.32 111.36 3kx3 s GLY 456 Ca 0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 3kx3 s GLY 456 CO 0.01 -0.03 1.11 -0.32 0.00 0.00 0.00 173.10 173.87 3kx3 s GLY 457 N -4.09 2.06 0.00 0.20 0.00 -1.26 -4.88 107.32 99.35 3kx3 s GLY 457 Ca 0.66 0.51 0.22 0.00 0.00 0.00 0.00 44.72 46.11 3kx3 s GLY 457 CO 0.54 0.86 1.70 1.39 0.00 0.00 0.00 173.10 177.59