#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx2 h GLY 2 N 0.00 -1.22 -2.23 3.17 0.00 -2.05 -3.42 103.07 97.32 3kx2 h GLY 2 Ca 0.00 0.45 -0.49 0.00 0.00 0.00 0.00 47.33 47.29 3kx2 h GLY 2 CO 0.00 -0.44 0.07 -0.56 0.00 0.00 0.00 176.54 175.61 3kx2 s SER 3 N -3.71 6.32 0.14 0.19 0.01 -1.26 -5.05 113.70 110.35 3kx2 s SER 3 Ca -0.17 0.92 -0.31 0.00 1.31 0.00 0.00 55.95 57.69 3kx2 s SER 3 Cb 0.02 -2.24 -0.11 0.00 0.21 0.00 0.00 66.02 63.90 3kx2 s SER 3 CO 0.51 -0.50 1.79 -0.75 0.41 0.00 0.00 173.24 174.71 3kx2 s LYS 4 N -4.47 4.14 0.31 12.44 2.36 -1.26 -4.92 119.74 128.33 3kx2 s LYS 4 Ca 0.47 2.59 -0.30 0.00 -2.55 0.00 0.00 55.97 56.18 3kx2 s LYS 4 Cb -0.10 -3.46 -0.11 0.00 -1.05 0.00 0.00 37.83 33.10 3kx2 s LYS 4 CO 0.41 -0.81 1.59 0.50 1.55 0.00 0.00 175.35 178.59 3kx2 s ARG 5 N 2.33 4.11 0.10 4.03 3.52 -1.26 -4.97 118.95 126.81 3kx2 s ARG 5 Ca 0.79 2.60 -0.15 0.00 -0.13 0.00 0.00 55.73 58.84 3kx2 s ARG 5 Cb -0.47 -3.01 -0.07 0.00 -1.56 0.00 0.00 34.95 29.85 3kx2 s ARG 5 CO 0.35 -0.64 0.52 1.03 -0.81 0.00 0.00 175.30 175.75 3kx2 s ARG 6 N -0.74 4.00 0.28 5.12 0.52 -1.26 -5.10 118.95 121.77 3kx2 s ARG 6 Ca 0.62 0.51 0.11 0.00 -0.52 0.00 0.00 55.73 56.45 3kx2 s ARG 6 Cb -0.48 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 3kx2 s ARG 6 CO 0.51 0.55 -0.13 -0.06 0.02 0.00 0.00 175.30 176.19 3kx2 s PHE 7 N -1.32 2.42 0.22 -0.53 0.08 -1.26 -4.99 117.98 112.59 3kx2 s PHE 7 Ca 0.33 -0.31 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 3kx2 s PHE 7 Cb -0.16 -1.09 0.05 0.00 -0.57 0.00 0.00 43.02 41.25 3kx2 s PHE 7 CO 0.18 0.67 0.88 -1.54 -0.10 0.00 0.00 175.22 175.32 3kx2 s SER 8 N -3.57 -0.16 0.54 1.36 1.04 -0.48 -4.98 113.70 107.45 3kx2 s SER 8 Ca 0.31 -0.57 0.20 0.00 0.48 0.00 0.00 55.95 56.37 3kx2 s SER 8 Cb -0.05 0.60 1.44 0.00 0.10 0.00 0.00 66.02 68.11 3kx2 s SER 8 CO 0.17 -1.13 2.18 0.77 0.98 0.00 0.00 173.24 176.21 3kx2 h SER 9 N 2.00 0.00 0.68 7.02 4.64 -2.01 -0.56 113.55 125.32 3kx2 h SER 9 Ca -0.24 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.82 3kx2 h SER 9 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3kx2 h SER 9 CO 0.27 0.00 -1.30 1.05 -0.87 0.00 0.00 176.83 175.98 3kx2 h GLU 10 N 0.00 0.15 -2.73 4.77 4.11 -2.00 -3.39 114.58 115.50 3kx2 h GLU 10 Ca 0.00 -0.26 -0.60 0.00 0.07 0.00 0.00 59.36 58.57 3kx2 h GLU 10 Cb 0.00 0.10 -0.40 0.00 0.50 0.00 0.00 28.75 28.95 3kx2 h GLU 10 CO -0.00 1.05 -0.79 -1.01 0.07 0.00 0.00 179.01 178.32 3kx2 s HIS 11 N -2.66 2.05 0.69 2.06 3.76 -0.77 -4.92 115.29 115.50 3kx2 s HIS 11 Ca -0.04 -2.64 -0.11 0.00 -0.15 0.00 0.00 55.06 52.12 3kx2 s HIS 11 Cb 0.08 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.09 3kx2 s HIS 11 CO 0.85 -0.73 1.06 -2.14 -0.85 0.00 0.00 174.74 172.93 3kx2 s PRO 12 N -0.32 2.99 -0.26 8.40 0.02 -0.29 -1.39 135.00 144.15 3kx2 s PRO 12 Ca 0.27 0.85 -0.29 0.00 0.02 0.00 0.00 61.00 61.84 3kx2 s PRO 12 Cb -0.06 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3kx2 s PRO 12 CO -0.14 -1.03 1.21 0.34 -0.33 0.00 0.00 177.00 177.06 3kx2 s ASP 13 N -3.93 6.84 0.46 2.53 -1.08 -1.26 -4.62 116.67 115.61 3kx2 s ASP 13 Ca 0.58 1.31 0.14 0.00 -0.52 0.00 0.00 52.55 54.05 3kx2 s ASP 13 Cb -0.13 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 39.87 3kx2 s ASP 13 CO 0.55 -0.91 2.04 1.55 0.52 0.00 0.00 175.17 178.91 3kx2 h PRO 14 N 8.56 0.29 -0.24 4.34 0.13 -1.91 -1.30 132.00 141.87 3kx2 h PRO 14 Ca -0.24 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 3kx2 h PRO 14 Cb 1.09 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3kx2 h PRO 14 CO 1.01 0.19 -0.50 0.28 -0.23 0.00 0.00 178.00 178.76 3kx2 h VAL 15 N 0.30 1.30 0.00 1.56 2.07 -1.90 -2.61 116.25 116.97 3kx2 h VAL 15 Ca 0.18 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 3kx2 h VAL 15 Cb 0.32 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3kx2 h VAL 15 CO -0.04 0.54 -0.35 -0.08 0.02 0.00 0.00 177.57 177.66 3kx2 h GLU 16 N 0.50 0.00 -0.59 1.57 4.81 -1.78 -3.07 114.58 116.02 3kx2 h GLU 16 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kx2 h GLU 16 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3kx2 h GLU 16 CO 0.11 0.35 0.00 0.25 -0.73 0.00 0.00 179.01 178.99 3kx2 n THR 17 N -3.62 1.57 -3.07 0.32 -2.24 -0.56 -4.93 114.28 101.75 3kx2 n THR 17 Ca -0.01 -1.18 -0.41 0.00 -2.27 0.00 0.00 64.05 60.18 3kx2 n THR 17 Cb 0.47 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 3kx2 n THR 17 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kx2 s SER 18 N -1.03 6.65 0.11 3.42 0.15 -0.99 -4.75 113.70 117.26 3kx2 s SER 18 Ca 0.46 0.79 -0.15 0.00 0.70 0.00 0.00 55.95 57.75 3kx2 s SER 18 Cb 0.28 -2.36 -0.06 0.00 -1.71 0.00 0.00 66.02 62.18 3kx2 s SER 18 CO 0.24 -0.38 1.48 0.40 1.20 0.00 0.00 173.24 176.18 3kx2 h ILE 19 N 5.37 1.29 -0.88 6.45 2.04 -1.91 -2.88 117.51 127.00 3kx2 h ILE 19 Ca -0.27 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.35 3kx2 h ILE 19 Cb 1.12 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 3kx2 h ILE 19 CO 0.79 0.42 0.58 -0.65 0.00 0.00 0.00 178.15 179.29 3kx2 h PRO 20 N 0.47 1.08 -0.99 2.37 0.11 -1.88 -1.05 132.00 132.12 3kx2 h PRO 20 Ca 0.07 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.23 3kx2 h PRO 20 Cb 0.70 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 31.48 3kx2 h PRO 20 CO 0.05 0.71 0.62 1.49 -0.21 0.00 0.00 178.00 180.66 3kx2 h GLU 21 N 1.11 0.97 -0.89 1.05 4.57 -1.86 -0.13 114.58 119.41 3kx2 h GLU 21 Ca 0.35 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 3kx2 h GLU 21 Cb -0.00 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 3kx2 h GLU 21 CO -0.10 0.64 0.58 1.96 -1.18 0.00 0.00 179.01 180.92 3kx2 h GLN 22 N 1.00 1.17 -0.22 1.92 4.20 -0.99 -1.57 115.11 120.62 3kx2 h GLN 22 Ca 0.48 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 3kx2 h GLN 22 Cb 0.44 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3kx2 h GLN 22 CO -0.25 0.78 0.09 0.00 -0.67 0.00 0.00 178.83 178.78 3kx2 h ALA 23 N 1.32 0.29 -0.89 3.87 0.00 -0.65 -2.35 119.26 120.84 3kx2 h ALA 23 Ca 0.32 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3kx2 h ALA 23 Cb -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3kx2 h ALA 23 CO -0.07 -0.12 0.59 0.00 0.00 0.00 0.00 179.25 179.64 3kx2 h ALA 24 N 0.93 1.46 -0.62 0.00 0.00 -0.64 -0.38 119.26 120.01 3kx2 h ALA 24 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kx2 h ALA 24 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kx2 h ALA 24 CO -0.01 0.44 0.09 0.93 0.00 0.00 0.00 179.25 180.71 3kx2 h GLU 25 N 1.09 1.03 -0.53 0.00 5.08 -1.14 0.17 114.58 120.28 3kx2 h GLU 25 Ca 0.36 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kx2 h GLU 25 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3kx2 h GLU 25 CO -0.12 0.97 0.32 0.82 -1.00 0.00 0.00 179.01 180.00 3kx2 h ILE 26 N 0.94 1.16 -0.45 3.13 2.04 -0.80 -2.47 117.51 121.06 3kx2 h ILE 26 Ca 0.19 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 3kx2 h ILE 26 Cb 0.44 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3kx2 h ILE 26 CO 0.01 0.16 -0.25 0.00 0.00 0.00 0.00 178.15 178.08 3kx2 h ALA 27 N 1.16 0.64 -0.68 1.87 0.00 -0.73 -2.39 119.26 119.13 3kx2 h ALA 27 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kx2 h ALA 27 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kx2 h ALA 27 CO -0.04 0.65 0.39 1.49 0.00 0.00 0.00 179.25 181.75 3kx2 h GLU 28 N 0.81 0.93 -0.62 0.00 4.81 -0.59 -0.69 114.58 119.22 3kx2 h GLU 28 Ca 0.10 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3kx2 h GLU 28 Cb 0.83 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3kx2 h GLU 28 CO 0.07 0.67 0.11 1.49 -0.73 0.00 0.00 179.01 180.62 3kx2 h GLU 29 N 0.92 1.01 -0.37 1.92 4.22 -1.36 -0.25 114.58 120.67 3kx2 h GLU 29 Ca 0.24 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 3kx2 h GLU 29 Cb -0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3kx2 h GLU 29 CO -0.04 0.93 0.22 -0.07 -2.18 0.00 0.00 179.01 177.86 3kx2 h LEU 30 N 0.95 0.45 -0.58 1.64 3.38 -0.90 -2.86 115.31 117.39 3kx2 h LEU 30 Ca 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kx2 h LEU 30 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kx2 h LEU 30 CO 0.01 0.38 0.28 0.28 0.09 0.00 0.00 178.44 179.48 3kx2 h SER 31 N 0.47 0.76 0.12 -0.43 0.02 -0.84 -1.28 113.55 112.37 3kx2 h SER 31 Ca 0.13 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kx2 h SER 31 Cb 0.02 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3kx2 h SER 31 CO -0.02 0.68 0.00 1.17 -1.14 0.00 0.00 176.83 177.51 3kx2 n LYS 32 N -4.54 0.04 0.04 3.45 4.81 -0.13 -0.96 118.16 120.87 3kx2 n LYS 32 Ca 0.03 0.32 0.04 0.00 -0.87 0.00 0.00 58.31 57.83 3kx2 n LYS 32 Cb 0.12 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.60 3kx2 n LYS 32 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3kx2 n GLN 33 N -1.38 0.62 -3.07 1.64 -0.06 -0.49 -4.56 117.38 110.09 3kx2 n GLN 33 Ca 0.02 0.13 -0.20 0.00 -2.00 0.00 0.00 57.00 54.95 3kx2 n GLN 33 Cb 0.04 -1.76 -0.04 0.00 -4.06 0.00 0.00 30.24 24.42 3kx2 n GLN 33 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 3kx2 n HIS 34 N -2.75 -1.18 -1.65 3.69 8.25 -0.14 -5.11 115.22 116.33 3kx2 n HIS 34 Ca -0.08 -3.07 -0.55 0.00 -0.26 0.00 0.00 57.72 53.76 3kx2 n HIS 34 Cb 0.74 0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.96 3kx2 n HIS 34 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3kx2 n PRO 35 N 1.49 1.27 -1.96 -0.41 -0.02 -0.97 -4.88 135.00 129.51 3kx2 n PRO 35 Ca 0.18 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 3kx2 n PRO 35 Cb 0.56 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3kx2 n PRO 35 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kx2 s LEU 36 N 4.35 3.77 0.00 2.45 2.34 -1.26 -5.00 118.68 125.32 3kx2 s LEU 36 Ca 1.00 2.51 -0.22 0.00 0.06 0.00 0.00 54.13 57.49 3kx2 s LEU 36 Cb -0.99 -4.45 0.32 0.00 -0.56 0.00 0.00 46.19 40.51 3kx2 s LEU 36 CO 0.61 -1.52 1.05 -2.65 -1.06 0.00 0.00 176.35 172.78 3kx2 n PRO 37 N -1.28 -3.52 -3.37 1.48 -0.02 -1.26 -5.06 135.00 121.97 3kx2 n PRO 37 Ca 0.12 -1.70 -0.23 0.00 -2.02 0.00 0.00 63.50 59.68 3kx2 n PRO 37 Cb 0.48 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 3kx2 n PRO 37 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kx2 s SER 38 N -4.19 6.13 0.09 2.55 1.04 -1.26 -5.03 113.70 113.03 3kx2 s SER 38 Ca 0.71 0.27 -0.35 0.00 0.48 0.00 0.00 55.95 57.05 3kx2 s SER 38 Cb -0.08 -1.77 -0.18 0.00 0.10 0.00 0.00 66.02 64.09 3kx2 s SER 38 CO 0.55 -0.39 1.05 -0.62 0.98 0.00 0.00 173.24 174.81 3kx2 n GLU 39 N -1.79 0.52 -1.75 4.02 -0.58 -1.26 -4.88 120.64 114.92 3kx2 n GLU 39 Ca -0.03 0.18 -0.42 0.00 -0.42 0.00 0.00 57.16 56.48 3kx2 n GLU 39 Cb 0.57 -1.63 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 3kx2 n GLU 39 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3kx2 n GLU 40 N 1.66 2.51 -1.79 3.49 0.28 -1.26 -4.92 120.64 120.61 3kx2 n GLU 40 Ca 0.18 0.88 -0.37 0.00 -0.16 0.00 0.00 57.16 57.69 3kx2 n GLU 40 Cb 0.17 -2.58 0.05 0.00 1.43 0.00 0.00 31.44 30.52 3kx2 n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3kx2 s PRO 41 N -1.75 2.81 0.80 3.44 0.04 -1.26 -4.99 135.00 134.08 3kx2 s PRO 41 Ca 0.56 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 3kx2 s PRO 41 Cb -0.51 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.10 3kx2 s PRO 41 CO 0.61 -1.41 1.10 -0.51 0.04 0.00 0.00 177.00 176.84 3kx2 s LEU 42 N -4.03 3.00 0.01 -3.56 1.43 -1.26 -4.82 118.68 109.45 3kx2 s LEU 42 Ca 0.78 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.78 3kx2 s LEU 42 Cb -0.38 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.30 3kx2 s LEU 42 CO 0.42 -2.25 -0.00 -0.69 0.23 0.00 0.00 176.35 174.06 3kx2 s VAL 43 N -2.83 0.05 0.23 -1.59 1.01 0.46 -5.03 120.40 112.71 3kx2 s VAL 43 Ca 0.63 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3kx2 s VAL 43 Cb -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3kx2 s VAL 43 CO 0.56 -0.25 0.29 -1.38 0.00 0.00 0.00 175.10 174.32 3kx2 s HIS 44 N -0.73 0.90 -0.12 5.22 -3.43 -1.26 -4.29 115.29 111.58 3kx2 s HIS 44 Ca -0.08 -1.15 -0.01 0.00 -0.80 0.00 0.00 55.06 53.02 3kx2 s HIS 44 Cb -0.05 -0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 30.81 3kx2 s HIS 44 CO -0.00 -0.82 -0.09 -1.58 -2.00 0.00 0.00 174.74 170.25 3kx2 s HIS 45 N -3.99 2.90 -0.18 0.38 5.65 -1.26 -5.09 115.29 113.70 3kx2 s HIS 45 Ca 0.32 -0.32 -0.04 0.00 0.25 0.00 0.00 55.06 55.27 3kx2 s HIS 45 Cb 0.03 -1.83 0.08 0.00 -1.18 0.00 0.00 32.58 29.69 3kx2 s HIS 45 CO 0.12 0.01 0.21 0.34 -0.65 0.00 0.00 174.74 174.77 3kx2 s ASP 46 N -0.02 1.28 -0.17 9.88 2.15 -1.26 -4.83 116.67 123.69 3kx2 s ASP 46 Ca -0.01 -0.11 0.14 0.00 0.43 0.00 0.00 52.55 52.99 3kx2 s ASP 46 Cb -0.14 0.34 0.39 0.00 -0.30 0.00 0.00 42.92 43.22 3kx2 s ASP 46 CO 0.03 -0.31 1.20 0.00 -0.17 0.00 0.00 175.17 175.92 3kx2 n ALA 47 N 5.32 3.28 -0.89 3.66 0.00 -1.26 -4.96 120.51 125.66 3kx2 n ALA 47 Ca -0.05 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3kx2 n ALA 47 Cb 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3kx2 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx2 n GLY 48 N -0.97 0.74 0.19 0.00 0.00 -1.26 -4.90 105.19 98.98 3kx2 n GLY 48 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3kx2 n GLY 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kx2 h GLU 49 N 2.22 0.00 -0.01 1.61 9.09 -1.93 -1.80 114.58 123.76 3kx2 h GLU 49 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kx2 h GLU 49 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3kx2 h GLU 49 CO 0.00 0.00 -0.49 1.19 0.05 0.00 0.00 179.01 179.76 3kx2 n PHE 50 N -2.50 0.00 -1.68 2.06 3.72 -1.26 -4.93 117.46 112.86 3kx2 n PHE 50 Ca 0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.97 3kx2 n PHE 50 Cb 0.21 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3kx2 n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kx2 n LYS 51 N -0.56 2.08 0.00 -1.08 4.76 -0.68 -1.03 118.16 121.66 3kx2 n LYS 51 Ca 0.09 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 3kx2 n LYS 51 Cb 0.40 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 3kx2 n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kx2 n GLY 52 N 1.75 1.28 3.68 0.72 0.00 -1.26 -5.04 105.19 106.31 3kx2 n GLY 52 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3kx2 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx2 s LEU 53 N 0.00 4.10 -0.22 0.99 1.02 -0.19 -5.09 118.68 119.29 3kx2 s LEU 53 Ca 0.00 0.15 -0.06 0.00 0.02 0.00 0.00 54.13 54.23 3kx2 s LEU 53 Cb 0.00 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 3kx2 s LEU 53 CO 0.00 0.12 0.04 -1.58 0.02 0.00 0.00 176.35 174.95 3kx2 s GLN 54 N 0.71 3.69 0.09 1.70 0.74 -1.26 -5.06 119.66 120.27 3kx2 s GLN 54 Ca 0.07 -0.48 -0.36 0.00 0.05 0.00 0.00 55.36 54.65 3kx2 s GLN 54 Cb -0.12 -3.19 -0.15 0.00 1.10 0.00 0.00 33.01 30.64 3kx2 s GLN 54 CO 0.01 -0.02 1.48 -2.13 -0.55 0.00 0.00 175.29 174.08 3kx2 n ARG 55 N 4.38 1.60 -1.13 1.67 0.63 -1.26 -0.87 116.66 121.68 3kx2 n ARG 55 Ca -0.17 0.58 -0.04 0.00 -0.92 0.00 0.00 57.85 57.30 3kx2 n ARG 55 Cb 0.52 -2.28 -0.02 0.00 0.45 0.00 0.00 32.46 31.12 3kx2 n ARG 55 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3kx2 n HIS 56 N 3.20 0.00 -2.13 -0.14 8.25 -0.71 -4.79 115.22 118.91 3kx2 n HIS 56 Ca 0.18 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.69 3kx2 n HIS 56 Cb 0.23 -1.79 0.09 0.00 1.12 0.00 0.00 29.99 29.64 3kx2 n HIS 56 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kx2 n HIS 57 N -2.36 0.00 -2.57 4.41 8.25 -0.04 -4.83 115.22 118.07 3kx2 n HIS 57 Ca -0.04 -0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 56.29 3kx2 n HIS 57 Cb 0.40 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 3kx2 n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kx2 s THR 58 N -1.19 4.78 0.21 1.59 2.01 -1.18 -4.68 115.64 117.18 3kx2 s THR 58 Ca 0.34 0.60 0.06 0.00 0.31 0.00 0.00 61.69 63.00 3kx2 s THR 58 Cb 0.36 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 3kx2 s THR 58 CO -0.12 -0.75 -0.11 -0.94 -0.69 0.00 0.00 174.62 172.01 3kx2 s SER 59 N -3.62 2.37 0.22 3.53 1.04 -1.26 -4.92 113.70 111.06 3kx2 s SER 59 Ca 0.52 -1.07 -0.07 0.00 0.48 0.00 0.00 55.95 55.81 3kx2 s SER 59 Cb -0.10 -0.10 0.19 0.00 0.10 0.00 0.00 66.02 66.11 3kx2 s SER 59 CO 0.39 -0.27 1.83 0.00 0.98 0.00 0.00 173.24 176.18 3kx2 h ALA 60 N 2.55 1.11 -0.31 5.32 0.00 -1.94 -2.22 119.26 123.77 3kx2 h ALA 60 Ca -0.38 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kx2 h ALA 60 Cb 1.22 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3kx2 h ALA 60 CO 0.63 0.66 0.14 1.49 0.00 0.00 0.00 179.25 182.18 3kx2 h GLU 61 N 1.23 0.29 -0.57 0.00 4.81 -1.99 0.20 114.58 118.55 3kx2 h GLU 61 Ca 0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kx2 h GLU 61 Cb 0.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3kx2 h GLU 61 CO -0.04 0.19 0.36 0.93 -0.73 0.00 0.00 179.01 179.72 3kx2 h GLU 62 N 0.30 0.77 -0.03 1.92 5.08 -1.92 -1.41 114.58 119.28 3kx2 h GLU 62 Ca 0.13 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kx2 h GLU 62 Cb 0.07 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kx2 h GLU 62 CO -0.11 0.54 0.02 0.00 -1.00 0.00 0.00 179.01 178.46 3kx2 h ALA 63 N 1.19 0.04 -0.96 3.43 0.00 -0.87 -2.60 119.26 119.49 3kx2 h ALA 63 Ca 0.21 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.21 3kx2 h ALA 63 Cb -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 3kx2 h ALA 63 CO -0.04 -0.40 0.57 1.96 0.00 0.00 0.00 179.25 181.35 3kx2 h GLN 64 N -0.07 0.78 -0.23 0.00 4.20 -0.34 -0.45 115.11 119.00 3kx2 h GLN 64 Ca 0.01 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3kx2 h GLN 64 Cb 0.12 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.67 3kx2 h GLN 64 CO -0.00 0.51 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.32 3kx2 h LYS 65 N 0.80 -0.11 -0.22 1.46 1.63 -0.87 0.29 116.57 119.54 3kx2 h LYS 65 Ca 0.52 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.33 3kx2 h LYS 65 Cb 0.71 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 3kx2 h LYS 65 CO -0.34 -0.08 0.13 -0.07 -3.45 0.00 0.00 179.45 175.64 3kx2 h LEU 66 N -0.12 0.26 -1.59 5.20 -0.00 -1.02 -1.55 115.31 116.50 3kx2 h LEU 66 Ca 0.13 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 3kx2 h LEU 66 Cb 0.31 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 3kx2 h LEU 66 CO -0.30 0.24 0.31 -0.33 -0.00 0.00 0.00 178.44 178.36 3kx2 h GLU 67 N 0.26 0.53 0.00 1.13 5.08 -0.55 -0.72 114.58 120.31 3kx2 h GLU 67 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kx2 h GLU 67 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kx2 h GLU 67 CO -0.01 0.35 0.00 -0.44 -1.00 0.00 0.00 179.01 177.91 3kx2 h ASP 68 N 0.55 0.00 -3.10 1.42 3.45 -0.10 -3.47 116.42 115.17 3kx2 h ASP 68 Ca 0.19 0.00 -0.39 0.00 0.43 0.00 0.00 57.03 57.26 3kx2 h ASP 68 Cb 0.07 0.00 0.21 0.00 -0.56 0.00 0.00 39.33 39.06 3kx2 h ASP 68 CO -0.05 0.00 -0.09 -0.83 -1.57 0.00 0.00 179.24 176.71 3kx2 s GLY 69 N -3.72 1.43 -0.11 2.75 0.00 -0.28 -4.98 107.32 102.42 3kx2 s GLY 69 Ca 0.10 -0.86 0.13 0.00 0.00 0.00 0.00 44.72 44.09 3kx2 s GLY 69 CO 0.61 0.15 0.42 0.58 0.00 0.00 0.00 173.10 174.85 3kx2 n LYS 70 N -5.55 0.66 -4.66 2.90 0.00 -1.26 -4.85 118.16 105.39 3kx2 n LYS 70 Ca 0.13 0.19 -0.33 0.00 -0.00 0.00 0.00 58.31 58.29 3kx2 n LYS 70 Cb 0.60 -1.69 -0.13 0.00 -0.00 0.00 0.00 35.03 33.81 3kx2 n LYS 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 3kx2 s ILE 71 N -2.56 3.42 -0.10 0.58 -1.16 -1.26 -0.00 121.20 120.12 3kx2 s ILE 71 Ca -0.08 -0.55 -0.29 0.00 -0.51 0.00 0.00 60.65 59.21 3kx2 s ILE 71 Cb 0.07 -2.43 -0.06 0.00 0.61 0.00 0.00 42.46 40.66 3kx2 s ILE 71 CO 0.82 0.54 1.82 0.21 -2.81 0.00 0.00 174.94 175.52 3kx2 s ASN 72 N -0.06 6.34 0.35 4.50 3.84 0.75 -4.83 114.94 125.83 3kx2 s ASN 72 Ca -0.01 2.13 0.03 0.00 0.21 0.00 0.00 52.86 55.22 3kx2 s ASN 72 Cb -0.14 -2.53 0.64 0.00 -0.55 0.00 0.00 41.25 38.67 3kx2 s ASN 72 CO 0.03 -1.22 1.98 -0.65 -2.79 0.00 0.00 177.10 174.46 3kx2 h PRO 73 N 11.03 0.76 0.00 0.43 0.11 -1.88 -2.60 132.00 139.84 3kx2 h PRO 73 Ca -0.41 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3kx2 h PRO 73 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3kx2 h PRO 73 CO 0.96 0.55 -0.36 0.74 -0.21 0.00 0.00 178.00 179.68 3kx2 h PHE 74 N 0.77 0.00 -3.66 0.65 0.04 -1.91 -3.45 116.94 109.38 3kx2 h PHE 74 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3kx2 h PHE 74 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3kx2 h PHE 74 CO 0.00 0.36 0.00 0.25 -0.60 0.00 0.00 178.31 178.32 3kx2 n THR 75 N -3.34 0.00 0.79 -1.55 -2.24 -0.98 -4.34 114.28 102.62 3kx2 n THR 75 Ca 0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 3kx2 n THR 75 Cb 0.58 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 3kx2 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kx2 n GLY 76 N 5.00 0.35 3.89 3.38 0.00 -1.26 -4.66 105.19 111.89 3kx2 n GLY 76 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3kx2 n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kx2 s ARG 77 N -1.70 3.73 0.23 1.61 0.52 -1.26 -4.75 118.95 117.33 3kx2 s ARG 77 Ca 0.20 0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 3kx2 s ARG 77 Cb 0.15 -2.57 -0.12 0.00 0.52 0.00 0.00 34.95 32.94 3kx2 s ARG 77 CO 0.29 0.18 1.67 -2.00 0.02 0.00 0.00 175.30 175.46 3kx2 s GLU 78 N -3.41 4.13 0.33 3.54 2.56 -1.26 -0.18 118.70 124.42 3kx2 s GLU 78 Ca 0.47 2.58 -0.29 0.00 0.00 0.00 0.00 54.97 57.73 3kx2 s GLU 78 Cb -0.11 -3.07 -0.11 0.00 2.00 0.00 0.00 34.13 32.85 3kx2 s GLU 78 CO 0.27 -0.71 1.50 -0.06 -0.56 0.00 0.00 175.26 175.71 3kx2 s PHE 79 N 0.85 2.73 0.47 5.30 0.08 1.00 -4.77 117.98 123.65 3kx2 s PHE 79 Ca 0.71 1.05 -0.04 0.00 0.12 0.00 0.00 56.93 58.77 3kx2 s PHE 79 Cb -0.49 -3.98 -0.03 0.00 -0.57 0.00 0.00 43.02 37.95 3kx2 s PHE 79 CO 0.36 -3.05 0.75 0.95 -0.10 0.00 0.00 175.22 174.14 3kx2 s THR 80 N -0.62 4.74 0.23 0.64 -4.23 -1.26 -4.98 115.64 110.17 3kx2 s THR 80 Ca 0.57 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.04 3kx2 s THR 80 Cb -0.46 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 69.79 3kx2 s THR 80 CO 0.55 -0.73 1.85 -0.65 -0.54 0.00 0.00 174.62 175.10 3kx2 h PRO 81 N 0.27 0.94 -0.66 3.99 0.11 -2.00 -2.27 132.00 132.38 3kx2 h PRO 81 Ca -0.47 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 65.71 3kx2 h PRO 81 Cb 1.22 -0.21 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 3kx2 h PRO 81 CO 0.61 0.62 0.16 -0.22 -0.21 0.00 0.00 178.00 178.96 3kx2 h LYS 82 N 0.96 0.28 -0.17 1.05 3.64 -2.00 -1.68 116.57 118.66 3kx2 h LYS 82 Ca 0.35 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 3kx2 h LYS 82 Cb 0.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3kx2 h LYS 82 CO -0.16 0.19 0.02 -0.92 -2.27 0.00 0.00 179.45 176.31 3kx2 h TYR 83 N 0.29 0.04 -0.46 1.91 5.03 -1.71 -1.75 116.97 120.33 3kx2 h TYR 83 Ca 0.35 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.63 3kx2 h TYR 83 Cb 0.55 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 3kx2 h TYR 83 CO -0.24 0.01 0.09 -0.39 -1.32 0.00 0.00 178.16 176.30 3kx2 h VAL 84 N 0.09 1.21 -0.32 1.81 -1.51 -1.08 -0.99 116.25 115.46 3kx2 h VAL 84 Ca 0.08 -0.77 -0.09 0.00 -1.23 0.00 0.00 66.70 64.68 3kx2 h VAL 84 Cb 0.08 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 3kx2 h VAL 84 CO -0.11 0.28 -0.16 0.44 -1.23 0.00 0.00 177.57 176.79 3kx2 h ASP 85 N 0.68 0.69 -0.61 4.19 3.32 -1.19 -2.11 116.42 121.39 3kx2 h ASP 85 Ca 0.15 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 3kx2 h ASP 85 Cb 0.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3kx2 h ASP 85 CO 0.00 0.94 0.06 0.40 -1.72 0.00 0.00 179.24 178.93 3kx2 h ILE 86 N 0.43 1.26 -0.26 0.35 2.04 -1.06 -3.04 117.51 117.23 3kx2 h ILE 86 Ca 0.07 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3kx2 h ILE 86 Cb 0.69 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3kx2 h ILE 86 CO 0.05 0.39 0.07 0.25 0.00 0.00 0.00 178.15 178.91 3kx2 h LEU 87 N 0.98 0.05 -1.03 1.44 5.85 -0.93 -0.93 115.31 120.74 3kx2 h LEU 87 Ca 0.19 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3kx2 h LEU 87 Cb 0.48 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3kx2 h LEU 87 CO 0.02 0.06 -0.44 0.07 -0.34 0.00 0.00 178.44 177.81 3kx2 h LYS 88 N 0.18 0.00 0.12 1.25 2.10 -1.39 -2.55 116.57 116.28 3kx2 h LYS 88 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 3kx2 h LYS 88 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3kx2 h LYS 88 CO -0.14 0.44 -0.06 0.82 -2.00 0.00 0.00 179.45 178.51 3kx2 h ILE 89 N 0.00 1.06 0.00 0.07 2.04 -1.32 -3.26 117.51 116.09 3kx2 h ILE 89 Ca -0.00 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3kx2 h ILE 89 Cb 0.86 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3kx2 h ILE 89 CO 0.06 0.24 -0.06 0.08 0.00 0.00 0.00 178.15 178.47 3kx2 h ARG 90 N -0.69 0.00 0.00 2.37 0.11 -1.16 -0.93 114.38 114.09 3kx2 h ARG 90 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3kx2 h ARG 90 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3kx2 h ARG 90 CO 0.03 0.06 0.00 0.54 0.10 0.00 0.00 179.97 180.70 3kx2 n ARG 91 N -3.32 0.03 0.10 0.08 1.74 -0.97 -1.41 116.66 112.91 3kx2 n ARG 91 Ca -0.01 0.31 0.13 0.00 -0.77 0.00 0.00 57.85 57.51 3kx2 n ARG 91 Cb 0.22 -1.56 0.32 0.00 -1.02 0.00 0.00 32.46 30.42 3kx2 n ARG 91 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3kx2 h GLU 92 N 0.00 0.00 -6.82 5.56 4.57 -1.28 -3.45 114.58 113.17 3kx2 h GLU 92 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 3kx2 h GLU 92 Cb 0.23 0.00 0.08 0.00 -0.16 0.00 0.00 28.75 28.90 3kx2 h GLU 92 CO 0.00 0.00 0.84 -0.51 -1.18 0.00 0.00 179.01 178.16 3kx2 s LEU 93 N -4.56 4.35 0.55 1.64 1.43 -0.50 -4.86 118.68 116.72 3kx2 s LEU 93 Ca 0.09 2.90 0.36 0.00 -1.03 0.00 0.00 54.13 56.45 3kx2 s LEU 93 Cb 0.12 -3.64 1.53 0.00 0.03 0.00 0.00 46.19 44.24 3kx2 s LEU 93 CO 0.64 -0.85 1.81 -0.65 0.23 0.00 0.00 176.35 177.52 3kx2 h PRO 94 N 4.56 0.00 -0.12 1.29 0.11 -1.88 0.04 132.00 136.00 3kx2 h PRO 94 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3kx2 h PRO 94 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kx2 h PRO 94 CO 0.76 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 178.72 3kx2 h VAL 95 N 0.00 1.15 -0.11 3.15 2.07 -1.80 -2.84 116.25 117.87 3kx2 h VAL 95 Ca 0.53 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kx2 h VAL 95 Cb 2.18 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 3kx2 h VAL 95 CO -0.01 0.21 -0.13 0.45 0.02 0.00 0.00 177.57 178.11 3kx2 h HIS 96 N 0.18 0.18 0.00 1.57 3.86 -1.28 -1.90 115.15 117.76 3kx2 h HIS 96 Ca 0.04 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3kx2 h HIS 96 Cb 0.32 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kx2 h HIS 96 CO 0.00 0.31 0.00 0.00 0.86 0.00 0.00 177.93 179.10 3kx2 h ALA 97 N 1.70 1.00 0.00 2.45 0.00 -1.66 -2.56 119.26 120.19 3kx2 h ALA 97 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kx2 h ALA 97 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kx2 h ALA 97 CO 0.02 0.00 -0.02 1.04 0.00 0.00 0.00 179.25 180.29 3kx2 n GLN 98 N -2.29 1.79 -0.14 0.00 6.02 -0.73 -4.79 117.38 117.22 3kx2 n GLN 98 Ca 0.00 -2.11 -0.03 0.00 -0.01 0.00 0.00 57.00 54.85 3kx2 n GLN 98 Cb 0.13 -1.27 0.05 0.00 1.02 0.00 0.00 30.24 30.17 3kx2 n GLN 98 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3kx2 h ARG 99 N 0.00 0.20 -0.59 -1.09 2.43 -1.25 0.68 114.38 114.75 3kx2 h ARG 99 Ca 0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3kx2 h ARG 99 Cb 0.85 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3kx2 h ARG 99 CO 0.00 0.13 0.15 -0.44 -1.51 0.00 0.00 179.97 178.30 3kx2 h ASP 100 N 0.20 0.89 -0.57 -3.80 3.32 -1.87 -0.50 116.42 114.09 3kx2 h ASP 100 Ca 0.23 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3kx2 h ASP 100 Cb 0.30 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3kx2 h ASP 100 CO -0.31 0.88 0.27 -0.08 -1.72 0.00 0.00 179.24 178.28 3kx2 h GLU 101 N 0.85 0.86 -0.11 3.56 4.81 -1.74 -1.47 114.58 121.34 3kx2 h GLU 101 Ca 0.19 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3kx2 h GLU 101 Cb 0.34 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3kx2 h GLU 101 CO 0.00 0.69 -0.01 0.35 -0.73 0.00 0.00 179.01 179.31 3kx2 h PHE 102 N 0.86 0.22 -0.55 0.92 3.57 -0.47 -2.84 116.94 118.65 3kx2 h PHE 102 Ca 0.21 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3kx2 h PHE 102 Cb 0.13 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3kx2 h PHE 102 CO 0.01 0.48 0.23 -0.07 -2.23 0.00 0.00 178.31 176.72 3kx2 h LEU 103 N -0.10 0.27 -0.25 0.59 3.38 -0.79 0.27 115.31 118.67 3kx2 h LEU 103 Ca 0.03 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kx2 h LEU 103 Cb 0.40 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3kx2 h LEU 103 CO 0.01 0.18 -0.20 0.50 0.09 0.00 0.00 178.44 179.02 3kx2 h LYS 104 N 0.43 -0.18 -0.59 1.13 3.64 -1.25 0.25 116.57 119.99 3kx2 h LYS 104 Ca 0.26 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3kx2 h LYS 104 Cb 0.26 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3kx2 h LYS 104 CO -0.24 -0.12 0.06 1.25 -2.27 0.00 0.00 179.45 178.13 3kx2 h LEU 105 N -0.19 0.95 -0.57 5.20 5.85 -1.14 -2.15 115.31 123.26 3kx2 h LEU 105 Ca 0.14 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3kx2 h LEU 105 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3kx2 h LEU 105 CO -0.36 0.97 0.18 0.22 -0.34 0.00 0.00 178.44 179.10 3kx2 h TYR 106 N 0.92 0.91 -0.02 1.25 3.20 -0.28 -2.54 116.97 120.42 3kx2 h TYR 106 Ca 0.18 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3kx2 h TYR 106 Cb 0.45 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3kx2 h TYR 106 CO 0.03 0.77 -0.37 1.96 -1.64 0.00 0.00 178.16 178.91 3kx2 h GLN 107 N 0.79 0.03 -0.37 1.82 4.20 -0.09 -3.27 115.11 118.23 3kx2 h GLN 107 Ca 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3kx2 h GLN 107 Cb 0.29 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3kx2 h GLN 107 CO -0.01 0.40 0.00 0.09 -0.67 0.00 0.00 178.83 178.65 3kx2 n ASN 108 N -4.09 2.98 -3.87 1.46 3.02 -0.85 -4.97 115.26 108.94 3kx2 n ASN 108 Ca -0.02 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.42 3kx2 n ASN 108 Cb 0.41 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 3kx2 n ASN 108 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kx2 s ASN 109 N -1.00 -0.01 0.09 6.41 0.01 -0.97 -5.04 114.94 114.43 3kx2 s ASN 109 Ca 0.25 -0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.41 3kx2 s ASN 109 Cb 0.13 0.15 -0.25 0.00 0.41 0.00 0.00 41.25 41.69 3kx2 s ASN 109 CO 0.17 -0.12 1.18 -0.61 -1.51 0.00 0.00 177.10 176.21 3kx2 h GLN 110 N 5.57 0.14 -4.96 -0.60 4.15 -1.88 -3.45 115.11 114.08 3kx2 h GLN 110 Ca -0.27 -0.23 -0.50 0.00 0.77 0.00 0.00 58.65 58.42 3kx2 h GLN 110 Cb 1.20 0.09 -0.31 0.00 0.21 0.00 0.00 27.48 28.67 3kx2 h GLN 110 CO 0.45 1.09 -0.81 0.42 -1.93 0.00 0.00 178.83 178.05 3kx2 s ILE 111 N -2.68 1.11 0.03 2.39 1.01 -1.26 -0.74 121.20 121.06 3kx2 s ILE 111 Ca -0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3kx2 s ILE 111 Cb 0.08 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3kx2 s ILE 111 CO 0.85 0.33 0.01 0.00 0.00 0.00 0.00 174.94 176.13 3kx2 s MET 112 N 0.11 0.47 -0.06 2.79 0.23 -0.47 -4.24 119.30 118.13 3kx2 s MET 112 Ca -0.03 -0.81 0.01 0.00 -1.03 0.00 0.00 55.69 53.82 3kx2 s MET 112 Cb -0.10 0.17 -0.03 0.00 -1.53 0.00 0.00 34.83 33.34 3kx2 s MET 112 CO 0.01 -0.09 -0.06 0.14 -2.03 0.00 0.00 175.02 172.99 3kx2 s VAL 113 N -2.45 3.77 -0.11 5.16 -7.23 -0.59 -0.39 120.40 118.56 3kx2 s VAL 113 Ca -0.07 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3kx2 s VAL 113 Cb -0.03 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.39 3kx2 s VAL 113 CO -0.04 0.58 -0.03 0.12 -0.31 0.00 0.00 175.10 175.42 3kx2 s PHE 114 N -0.83 1.11 -0.02 2.82 2.19 0.15 -1.49 117.98 121.91 3kx2 s PHE 114 Ca 0.13 -0.55 0.07 0.00 0.33 0.00 0.00 56.93 56.91 3kx2 s PHE 114 Cb -0.11 -1.04 -0.02 0.00 -1.31 0.00 0.00 43.02 40.55 3kx2 s PHE 114 CO 0.02 -0.46 -0.23 0.08 1.83 0.00 0.00 175.22 176.46 3kx2 s VAL 115 N 1.83 1.83 -0.25 3.12 1.01 -0.10 -1.40 120.40 126.44 3kx2 s VAL 115 Ca 0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 3kx2 s VAL 115 Cb -0.13 -1.52 0.16 0.00 0.00 0.00 0.00 36.38 34.89 3kx2 s VAL 115 CO -0.07 0.52 1.20 -0.83 0.00 0.00 0.00 175.10 175.92 3kx2 s GLY 116 N -0.51 -0.02 0.63 4.51 0.00 -0.85 -0.72 107.32 110.37 3kx2 s GLY 116 Ca 0.08 2.68 -0.17 0.00 0.00 0.00 0.00 44.72 47.31 3kx2 s GLY 116 CO -0.01 1.37 0.64 1.18 0.00 0.00 0.00 173.10 176.29 3kx2 n GLU 117 N 1.09 0.53 -2.18 2.90 1.02 -1.26 -4.21 120.64 118.52 3kx2 n GLU 117 Ca -0.08 0.22 -0.40 0.00 -0.02 0.00 0.00 57.16 56.88 3kx2 n GLU 117 Cb 0.58 -1.87 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 3kx2 n GLU 117 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kx2 s THR 118 N -1.73 2.86 0.00 2.62 -4.23 -1.26 -2.04 115.64 111.85 3kx2 s THR 118 Ca 0.70 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 3kx2 s THR 118 Cb -0.41 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3kx2 s THR 118 CO 0.53 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 3kx2 n GLY 119 N 0.83 0.96 0.05 3.99 0.00 -1.26 -4.94 105.19 104.82 3kx2 n GLY 119 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3kx2 n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kx2 n SER 120 N 0.00 0.32 0.00 1.61 3.41 -0.87 -4.85 113.62 113.25 3kx2 n SER 120 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3kx2 n SER 120 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 3kx2 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kx2 n GLY 121 N 1.05 1.32 0.50 5.00 0.00 -1.26 -2.38 105.19 109.41 3kx2 n GLY 121 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3kx2 n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kx2 h LYS 122 N 1.11 -1.05 -0.17 1.61 1.57 -1.90 -1.99 116.57 115.74 3kx2 h LYS 122 Ca 0.00 0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 3kx2 h LYS 122 Cb 0.00 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3kx2 h LYS 122 CO 0.00 -0.70 -0.52 1.15 -0.57 0.00 0.00 179.45 178.81 3kx2 h THR 123 N -1.09 1.33 0.10 -0.16 2.02 -1.98 -2.84 112.91 110.29 3kx2 h THR 123 Ca -0.08 -1.77 -0.18 0.00 0.77 0.00 0.00 66.41 65.15 3kx2 h THR 123 Cb 0.90 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3kx2 h THR 123 CO 0.03 0.54 -0.86 0.71 0.37 0.00 0.00 175.52 176.31 3kx2 h THR 124 N 0.38 1.39 0.00 3.16 1.35 -1.95 -3.41 112.91 113.83 3kx2 h THR 124 Ca 0.01 -2.44 -0.13 0.00 -0.55 0.00 0.00 66.41 63.31 3kx2 h THR 124 Cb 1.04 3.03 -0.02 0.00 -1.73 0.00 0.00 68.15 70.47 3kx2 h THR 124 CO 0.10 0.66 -0.69 1.56 -0.25 0.00 0.00 175.52 176.90 3kx2 h GLN 125 N -0.52 0.00 -0.56 4.72 1.08 -1.46 -3.37 115.11 115.01 3kx2 h GLN 125 Ca -0.18 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.12 3kx2 h GLN 125 Cb 1.53 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.88 3kx2 h GLN 125 CO 0.07 1.00 0.12 0.82 -0.95 0.00 0.00 178.83 179.89 3kx2 h ILE 126 N -0.99 0.68 0.00 2.54 1.08 -1.57 0.35 117.51 119.59 3kx2 h ILE 126 Ca -0.19 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 3kx2 h ILE 126 Cb 1.17 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3kx2 h ILE 126 CO -0.11 0.05 -0.13 -0.65 -0.69 0.00 0.00 178.15 176.61 3kx2 h PRO 127 N 0.26 0.00 -0.30 2.37 0.11 -1.77 -0.11 132.00 132.55 3kx2 h PRO 127 Ca 0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.24 3kx2 h PRO 127 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3kx2 h PRO 127 CO -0.37 0.13 -0.44 1.96 -0.21 0.00 0.00 178.00 179.08 3kx2 h GLN 128 N 0.00 0.76 -0.76 1.05 4.20 -0.57 -2.29 115.11 117.50 3kx2 h GLN 128 Ca -0.00 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.30 3kx2 h GLN 128 Cb 0.24 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3kx2 h GLN 128 CO 0.02 1.04 0.50 0.74 -0.67 0.00 0.00 178.83 180.46 3kx2 h PHE 129 N 0.61 0.96 -0.43 2.96 0.04 0.70 -2.39 116.94 119.39 3kx2 h PHE 129 Ca 0.04 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 3kx2 h PHE 129 Cb 1.00 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3kx2 h PHE 129 CO 0.05 0.61 -0.20 0.28 -0.60 0.00 0.00 178.31 178.45 3kx2 h VAL 130 N 1.04 1.27 -0.96 -0.55 2.07 -0.98 -2.93 116.25 115.21 3kx2 h VAL 130 Ca 0.28 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3kx2 h VAL 130 Cb -0.11 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3kx2 h VAL 130 CO -0.06 0.45 0.62 -0.07 0.02 0.00 0.00 177.57 178.54 3kx2 h LEU 131 N 0.75 1.00 -0.20 2.57 3.38 -0.88 0.26 115.31 122.18 3kx2 h LEU 131 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3kx2 h LEU 131 Cb 0.74 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kx2 h LEU 131 CO 0.06 0.66 -0.16 -0.26 0.09 0.00 0.00 178.44 178.83 3kx2 h PHE 132 N 1.15 0.55 0.00 1.13 0.04 -1.39 0.86 116.94 119.27 3kx2 h PHE 132 Ca 0.40 -0.15 -0.13 0.00 2.80 0.00 0.00 57.97 60.89 3kx2 h PHE 132 Cb 0.12 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3kx2 h PHE 132 CO -0.00 0.79 -0.62 0.22 -0.60 0.00 0.00 178.31 178.10 3kx2 h ASP 133 N 0.14 0.00 0.00 2.17 1.82 -1.33 -3.33 116.42 115.89 3kx2 h ASP 133 Ca 0.04 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.51 3kx2 h ASP 133 Cb 0.68 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 3kx2 h ASP 133 CO 0.04 0.62 -2.18 1.21 -1.61 0.00 0.00 179.24 177.32 3kx2 n GLU 134 N -3.46 0.67 -4.12 0.28 4.07 0.90 -1.73 120.64 117.26 3kx2 n GLU 134 Ca 0.00 -0.11 -0.33 0.00 -0.06 0.00 0.00 57.16 56.66 3kx2 n GLU 134 Cb 0.70 -1.52 -0.06 0.00 -0.06 0.00 0.00 31.44 30.50 3kx2 n GLU 134 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3kx2 n MET 135 N -2.48 -0.73 -0.23 5.31 2.81 0.30 -4.79 117.12 117.30 3kx2 n MET 135 Ca -0.17 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 55.91 3kx2 n MET 135 Cb 0.84 -2.88 0.43 0.00 -0.71 0.00 0.00 33.22 30.90 3kx2 n MET 135 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3kx2 h PRO 136 N -1.71 0.56 -0.00 0.03 0.13 -1.86 -1.77 132.00 127.37 3kx2 h PRO 136 Ca -0.61 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 3kx2 h PRO 136 Cb 1.27 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kx2 h PRO 136 CO 0.59 0.37 -0.24 1.12 -0.23 0.00 0.00 178.00 179.61 3kx2 h HIS 137 N 0.57 0.01 0.00 1.56 2.07 -1.87 -1.18 115.15 116.31 3kx2 h HIS 137 Ca 0.42 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3kx2 h HIS 137 Cb 0.81 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3kx2 h HIS 137 CO -0.00 0.25 0.00 -0.07 -3.07 0.00 0.00 177.93 175.03 3kx2 h LEU 138 N 0.01 0.00 -3.16 6.12 3.38 -1.65 -2.91 115.31 117.10 3kx2 h LEU 138 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kx2 h LEU 138 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3kx2 h LEU 138 CO 0.03 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.72 3kx2 n GLU 139 N -2.45 2.53 -3.27 1.13 0.28 -0.86 -4.99 120.64 113.01 3kx2 n GLU 139 Ca 0.04 -2.67 -0.17 0.00 -0.16 0.00 0.00 57.16 54.20 3kx2 n GLU 139 Cb 0.37 -1.69 0.06 0.00 1.43 0.00 0.00 31.44 31.61 3kx2 n GLU 139 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3kx2 n ASN 140 N -0.65 -4.54 -3.63 -1.84 5.15 -1.04 -5.02 115.26 103.69 3kx2 n ASN 140 Ca 0.19 -0.42 -0.19 0.00 -0.60 0.00 0.00 54.58 53.55 3kx2 n ASN 140 Cb 0.77 -3.95 -0.09 0.00 -0.53 0.00 0.00 39.78 35.99 3kx2 n ASN 140 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kx2 s THR 141 N -3.25 0.10 0.35 -0.44 -4.23 -0.50 -4.96 115.64 102.70 3kx2 s THR 141 Ca 0.34 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3kx2 s THR 141 Cb -0.15 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 3kx2 s THR 141 CO 0.55 0.00 0.07 -1.10 -0.54 0.00 0.00 174.62 173.60 3kx2 s GLN 142 N -3.62 1.73 -0.07 3.99 -0.21 -0.31 -3.73 119.66 117.43 3kx2 s GLN 142 Ca 0.38 -1.98 0.05 0.00 0.02 0.00 0.00 55.36 53.83 3kx2 s GLN 142 Cb 0.03 -0.84 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 3kx2 s GLN 142 CO 0.23 -0.25 -0.24 0.14 -2.12 0.00 0.00 175.29 173.05 3kx2 s VAL 143 N -3.26 2.10 -0.01 1.09 -7.23 0.02 -1.60 120.40 111.50 3kx2 s VAL 143 Ca 0.33 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 59.37 3kx2 s VAL 143 Cb 0.07 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 3kx2 s VAL 143 CO 0.15 0.57 0.29 0.00 -0.31 0.00 0.00 175.10 175.80 3kx2 s ALA 144 N 0.01 3.80 -0.13 1.32 0.00 -0.70 -1.15 121.76 124.91 3kx2 s ALA 144 Ca -0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 3kx2 s ALA 144 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 20.85 3kx2 s ALA 144 CO 0.05 0.59 -0.02 0.00 0.00 0.00 0.00 175.76 176.38 3kx2 s THR 146 N 1.81 5.28 -0.05 0.00 -1.32 0.22 -1.32 115.64 120.26 3kx2 s THR 146 Ca 0.02 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 3kx2 s THR 146 Cb -0.14 -3.35 -0.01 0.00 -1.51 0.00 0.00 72.50 67.49 3kx2 s THR 146 CO -0.07 0.53 -0.24 -1.10 -2.21 0.00 0.00 174.62 171.53 3kx2 s GLN 147 N -0.27 2.30 0.51 7.08 -1.52 0.23 -2.45 119.66 125.54 3kx2 s GLN 147 Ca 0.10 -0.85 0.22 0.00 -1.95 0.00 0.00 55.36 52.88 3kx2 s GLN 147 Cb -0.12 -2.01 1.36 0.00 -0.22 0.00 0.00 33.01 32.02 3kx2 s GLN 147 CO 0.01 0.39 2.09 -1.35 -0.25 0.00 0.00 175.29 176.18 3kx2 h PRO 148 N 5.97 0.00 -5.17 2.91 0.11 -1.86 -0.56 132.00 133.40 3kx2 h PRO 148 Ca -0.34 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.11 3kx2 h PRO 148 Cb 1.16 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 3kx2 h PRO 148 CO 0.47 0.11 -0.74 1.03 -0.21 0.00 0.00 178.00 178.65 3kx2 s ARG 149 N -4.52 3.38 0.22 1.05 0.52 -1.26 -4.80 118.95 113.54 3kx2 s ARG 149 Ca -0.04 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.43 3kx2 s ARG 149 Cb 0.15 -2.81 0.35 0.00 0.52 0.00 0.00 34.95 33.16 3kx2 s ARG 149 CO 0.62 0.02 1.67 -0.09 0.02 0.00 0.00 175.30 177.54 3kx2 h ARG 150 N 7.37 0.16 -0.47 3.54 2.43 -1.90 -1.34 114.38 124.17 3kx2 h ARG 150 Ca -0.34 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 3kx2 h ARG 150 Cb 1.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3kx2 h ARG 150 CO 0.59 0.10 0.00 0.28 -1.51 0.00 0.00 179.97 179.43 3kx2 h VAL 151 N 0.16 1.24 -0.24 0.20 2.07 -1.93 -0.01 116.25 117.74 3kx2 h VAL 151 Ca 0.35 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3kx2 h VAL 151 Cb 0.58 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kx2 h VAL 151 CO -0.53 0.35 0.02 0.00 0.02 0.00 0.00 177.57 177.43 3kx2 h ALA 152 N 1.28 0.32 -0.35 1.67 0.00 -1.68 -0.58 119.26 119.92 3kx2 h ALA 152 Ca 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kx2 h ALA 152 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kx2 h ALA 152 CO 0.02 0.02 0.21 0.00 0.00 0.00 0.00 179.25 179.50 3kx2 h ALA 153 N 0.83 0.43 -0.01 0.00 0.00 -0.76 -1.09 119.26 118.66 3kx2 h ALA 153 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kx2 h ALA 153 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kx2 h ALA 153 CO 0.01 -0.14 -0.01 0.52 0.00 0.00 0.00 179.25 179.63 3kx2 h MET 154 N 0.42 0.02 -0.23 0.00 2.07 -0.92 -2.43 114.93 113.87 3kx2 h MET 154 Ca 0.13 -0.01 -0.13 0.00 -2.07 0.00 0.00 59.70 57.62 3kx2 h MET 154 Cb -0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 3kx2 h MET 154 CO -0.06 0.45 -0.42 0.66 1.07 0.00 0.00 176.91 178.62 3kx2 h SER 155 N -0.41 0.59 0.11 1.22 4.64 -1.12 -2.33 113.55 116.25 3kx2 h SER 155 Ca 0.00 -0.27 -0.19 0.00 -0.47 0.00 0.00 61.79 60.86 3kx2 h SER 155 Cb 0.45 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3kx2 h SER 155 CO 0.00 0.94 -0.73 1.62 -0.87 0.00 0.00 176.83 177.79 3kx2 h VAL 156 N 0.45 1.34 -0.77 0.95 3.04 -1.26 -1.50 116.25 118.49 3kx2 h VAL 156 Ca 0.04 -2.06 -0.03 0.00 -1.01 0.00 0.00 66.70 63.63 3kx2 h VAL 156 Cb 0.92 2.04 -0.03 0.00 -2.01 0.00 0.00 31.29 32.21 3kx2 h VAL 156 CO 0.08 0.63 0.35 0.00 -1.01 0.00 0.00 177.57 177.63 3kx2 h ALA 157 N 0.82 1.00 -0.46 3.17 0.00 -1.34 0.19 119.26 122.64 3kx2 h ALA 157 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kx2 h ALA 157 Cb 1.32 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3kx2 h ALA 157 CO 0.13 0.58 0.27 0.37 0.00 0.00 0.00 179.25 180.61 3kx2 h GLN 158 N 1.10 0.53 -0.19 0.00 5.75 -1.22 -0.16 115.11 120.91 3kx2 h GLN 158 Ca 0.26 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 3kx2 h GLN 158 Cb 0.15 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3kx2 h GLN 158 CO -0.03 0.35 0.07 -0.09 -2.65 0.00 0.00 178.83 176.48 3kx2 h ARG 159 N 0.54 0.29 -0.22 1.69 9.65 -0.79 -2.92 114.38 122.63 3kx2 h ARG 159 Ca 0.18 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.92 3kx2 h ARG 159 Cb 0.02 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3kx2 h ARG 159 CO -0.09 0.38 -0.26 0.28 2.80 0.00 0.00 179.97 183.08 3kx2 h VAL 160 N 0.14 1.26 -0.83 0.20 2.07 -0.40 -0.39 116.25 118.31 3kx2 h VAL 160 Ca 0.06 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3kx2 h VAL 160 Cb 0.20 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3kx2 h VAL 160 CO -0.00 0.39 0.50 0.00 0.02 0.00 0.00 177.57 178.47 3kx2 h ALA 161 N 1.37 1.15 -0.59 1.67 0.00 -1.00 -0.31 119.26 121.54 3kx2 h ALA 161 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kx2 h ALA 161 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kx2 h ALA 161 CO 0.05 0.19 0.12 0.93 0.00 0.00 0.00 179.25 180.54 3kx2 h GLU 162 N 0.88 0.96 0.00 0.00 5.08 -1.10 -0.10 114.58 120.31 3kx2 h GLU 162 Ca 0.38 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kx2 h GLU 162 Cb 0.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kx2 h GLU 162 CO -0.20 0.90 -0.14 0.93 -1.00 0.00 0.00 179.01 179.50 3kx2 h GLU 163 N 0.87 0.00 -0.34 2.33 5.08 -0.39 -2.09 114.58 120.04 3kx2 h GLU 163 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3kx2 h GLU 163 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kx2 h GLU 163 CO 0.01 0.14 0.00 -1.33 -1.00 0.00 0.00 179.01 176.83 3kx2 n MET 164 N -3.47 2.29 -3.89 2.33 2.81 -0.19 -4.90 117.12 112.09 3kx2 n MET 164 Ca -0.01 -2.09 -0.27 0.00 -1.81 0.00 0.00 57.70 53.52 3kx2 n MET 164 Cb 0.30 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 3kx2 n MET 164 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kx2 n ASP 165 N 1.18 -2.43 -4.40 7.83 2.03 -0.69 -4.99 116.55 115.07 3kx2 n ASP 165 Ca 0.16 -0.87 -0.20 0.00 0.52 0.00 0.00 54.79 54.40 3kx2 n ASP 165 Cb 0.52 -3.62 -0.10 0.00 -0.72 0.00 0.00 41.12 37.19 3kx2 n ASP 165 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3kx2 s VAL 166 N -3.57 1.25 0.12 5.18 -7.23 -0.13 -4.99 120.40 111.03 3kx2 s VAL 166 Ca 0.31 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.18 3kx2 s VAL 166 Cb -0.16 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 3kx2 s VAL 166 CO 0.85 -0.19 0.77 -0.75 -0.31 0.00 0.00 175.10 175.47 3kx2 s LYS 167 N -3.84 4.54 0.19 4.82 2.20 -1.26 -4.35 119.74 122.03 3kx2 s LYS 167 Ca 0.32 1.12 -0.31 0.00 -0.36 0.00 0.00 55.97 56.74 3kx2 s LYS 167 Cb 0.06 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 3kx2 s LYS 167 CO 0.12 0.45 1.58 -1.17 -0.36 0.00 0.00 175.35 175.98 3kx2 s LEU 168 N -0.69 4.37 0.00 5.43 2.96 -1.26 -1.07 118.68 128.42 3kx2 s LEU 168 Ca 0.37 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.96 3kx2 s LEU 168 Cb -0.22 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.87 3kx2 s LEU 168 CO 0.25 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 3kx2 n GLY 169 N 3.57 1.94 0.00 7.98 0.00 0.46 -4.99 105.19 114.16 3kx2 n GLY 169 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kx2 n GLY 169 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kx2 n GLU 170 N -2.00 0.00 -0.25 1.61 1.02 -0.24 -2.98 120.64 117.81 3kx2 n GLU 170 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3kx2 n GLU 170 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.65 3kx2 n GLU 170 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kx2 h GLU 171 N 0.00 1.04 -5.31 3.49 3.07 -1.67 -2.51 114.58 112.69 3kx2 h GLU 171 Ca 0.00 -0.06 -0.65 0.00 -0.50 0.00 0.00 59.36 58.15 3kx2 h GLU 171 Cb 0.00 -0.23 -0.24 0.00 -0.84 0.00 0.00 28.75 27.44 3kx2 h GLU 171 CO 0.00 0.69 -0.71 0.08 -1.40 0.00 0.00 179.01 177.66 3kx2 s VAL 172 N -5.89 3.51 0.29 3.13 1.01 -1.26 -0.09 120.40 121.09 3kx2 s VAL 172 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3kx2 s VAL 172 Cb 0.18 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3kx2 s VAL 172 CO 0.79 0.51 0.31 -0.83 0.00 0.00 0.00 175.10 175.87 3kx2 s GLY 173 N 0.34 1.69 0.08 4.51 0.00 -0.77 -0.40 107.32 112.77 3kx2 s GLY 173 Ca -0.07 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 42.97 3kx2 s GLY 173 CO 0.04 -1.25 -0.09 -2.52 0.00 0.00 0.00 173.10 169.28 3kx2 s TYR 174 N -3.60 0.95 -0.09 1.90 -0.85 -0.59 -1.58 117.35 113.48 3kx2 s TYR 174 Ca 0.36 -0.66 -0.01 0.00 -0.52 0.00 0.00 57.07 56.24 3kx2 s TYR 174 Cb 0.03 -0.53 0.03 0.00 0.38 0.00 0.00 41.96 41.86 3kx2 s TYR 174 CO 0.20 -0.05 -0.04 0.45 -1.52 0.00 0.00 175.55 174.59 3kx2 s SER 175 N -2.33 1.84 0.18 -0.18 0.15 -0.43 -0.66 113.70 112.28 3kx2 s SER 175 Ca 0.03 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.56 3kx2 s SER 175 Cb -0.03 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 3kx2 s SER 175 CO -0.01 -0.15 -0.15 -0.63 1.20 0.00 0.00 173.24 173.50 3kx2 s ILE 176 N 1.78 1.70 0.07 6.45 -1.09 -0.36 -2.73 121.20 127.01 3kx2 s ILE 176 Ca 0.04 -2.06 -0.31 0.00 -2.23 0.00 0.00 60.65 56.08 3kx2 s ILE 176 Cb -0.13 -1.92 -0.10 0.00 -1.58 0.00 0.00 42.46 38.73 3kx2 s ILE 176 CO -0.06 -0.50 1.89 -1.14 -1.23 0.00 0.00 174.94 173.90 3kx2 n ARG 177 N -0.07 2.72 -0.35 2.79 0.63 -1.26 -1.40 116.66 119.73 3kx2 n ARG 177 Ca -0.10 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 3kx2 n ARG 177 Cb 0.59 -2.90 0.00 0.00 0.45 0.00 0.00 32.46 30.60 3kx2 n ARG 177 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kx2 n PHE 178 N 6.40 0.00 -3.56 -0.14 3.72 -1.26 -4.92 117.46 117.71 3kx2 n PHE 178 Ca 0.19 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3kx2 n PHE 178 Cb 0.37 -0.39 -0.13 0.00 -0.94 0.00 0.00 39.48 38.40 3kx2 n PHE 178 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kx2 s GLU 179 N -0.13 0.70 -0.14 -1.08 2.02 -0.49 -4.91 118.70 114.67 3kx2 s GLU 179 Ca 0.00 -1.37 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 3kx2 s GLU 179 Cb 0.00 -1.59 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 3kx2 s GLU 179 CO 0.00 -1.16 0.19 1.21 0.02 0.00 0.00 175.26 175.53 3kx2 s ASN 180 N 1.07 6.39 -0.41 -0.19 3.84 -1.26 -1.23 114.94 123.16 3kx2 s ASN 180 Ca 0.16 0.46 0.09 0.00 0.21 0.00 0.00 52.86 53.78 3kx2 s ASN 180 Cb -0.22 -2.11 0.30 0.00 -0.55 0.00 0.00 41.25 38.66 3kx2 s ASN 180 CO -0.06 0.28 0.65 1.17 -2.79 0.00 0.00 177.10 176.35 3kx2 n LYS 181 N 2.68 1.09 -4.35 0.43 3.00 0.17 -5.01 118.16 116.16 3kx2 n LYS 181 Ca -0.17 -3.48 -0.20 0.00 -0.00 0.00 0.00 58.31 54.46 3kx2 n LYS 181 Cb 0.53 -1.55 -0.09 0.00 0.00 0.00 0.00 35.03 33.93 3kx2 n LYS 181 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3kx2 s THR 182 N -1.98 0.25 0.26 3.15 -4.23 -1.25 -1.55 115.64 110.29 3kx2 s THR 182 Ca 0.38 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 3kx2 s THR 182 Cb 0.25 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.66 3kx2 s THR 182 CO -0.09 0.00 0.58 -1.54 -0.54 0.00 0.00 174.62 173.03 3kx2 n SER 183 N -1.19 -1.58 0.14 3.99 3.41 -1.16 -4.93 113.62 112.31 3kx2 n SER 183 Ca 0.02 -2.07 0.11 0.00 -0.26 0.00 0.00 58.87 56.67 3kx2 n SER 183 Cb 0.64 2.62 0.53 0.00 -0.26 0.00 0.00 64.21 67.74 3kx2 n SER 183 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kx2 n ASN 184 N -1.34 0.60 -0.09 4.04 0.23 -1.26 -1.94 115.26 115.50 3kx2 n ASN 184 Ca -0.06 0.71 0.12 0.00 -0.53 0.00 0.00 54.58 54.82 3kx2 n ASN 184 Cb 0.42 -0.82 0.20 0.00 -2.08 0.00 0.00 39.78 37.51 3kx2 n ASN 184 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3kx2 n LYS 185 N -2.23 0.27 -2.33 -3.83 5.02 -1.26 -0.40 118.16 113.39 3kx2 n LYS 185 Ca 0.00 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 3kx2 n LYS 185 Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3kx2 n LYS 185 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kx2 s THR 186 N -2.85 3.81 -0.21 -0.18 -4.23 -0.82 -3.87 115.64 107.29 3kx2 s THR 186 Ca 0.14 1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 61.87 3kx2 s THR 186 Cb 0.18 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 70.09 3kx2 s THR 186 CO 0.68 0.08 -0.24 -0.38 -0.54 0.00 0.00 174.62 174.22 3kx2 n ILE 187 N 4.07 1.17 -3.88 2.99 5.41 0.87 -4.84 119.36 125.16 3kx2 n ILE 187 Ca 0.10 -0.35 -0.35 0.00 1.00 0.00 0.00 62.75 63.15 3kx2 n ILE 187 Cb 0.45 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.66 3kx2 n ILE 187 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3kx2 s LEU 188 N -6.81 3.03 -0.29 1.39 2.96 -0.70 -0.80 118.68 117.45 3kx2 s LEU 188 Ca -0.29 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 3kx2 s LEU 188 Cb 0.10 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 45.08 3kx2 s LEU 188 CO 0.41 -0.02 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.61 3kx2 s LYS 189 N 1.50 1.98 0.17 1.98 2.20 -0.30 -1.85 119.74 125.42 3kx2 s LYS 189 Ca 0.06 -1.52 -0.22 0.00 -0.36 0.00 0.00 55.97 53.93 3kx2 s LYS 189 Cb -0.14 -2.99 -0.08 0.00 -1.51 0.00 0.00 37.83 33.10 3kx2 s LYS 189 CO -0.02 -0.69 0.71 0.71 -0.36 0.00 0.00 175.35 175.70 3kx2 s TYR 190 N 1.04 3.79 0.12 4.03 1.51 -0.61 -1.19 117.35 126.02 3kx2 s TYR 190 Ca -0.02 1.46 -0.24 0.00 -1.01 0.00 0.00 57.07 57.25 3kx2 s TYR 190 Cb -0.20 -2.65 0.08 0.00 -0.11 0.00 0.00 41.96 39.08 3kx2 s TYR 190 CO -0.06 0.46 0.67 0.00 -1.11 0.00 0.00 175.55 175.51 3kx2 s MET 191 N -1.47 1.17 0.66 -0.62 0.23 -0.43 -1.31 119.30 117.52 3kx2 s MET 191 Ca 0.37 -0.42 -0.14 0.00 -1.03 0.00 0.00 55.69 54.47 3kx2 s MET 191 Cb -0.20 0.54 -0.00 0.00 -1.53 0.00 0.00 34.83 33.64 3kx2 s MET 191 CO 0.23 -0.51 1.09 0.95 -2.03 0.00 0.00 175.02 174.75 3kx2 s THR 192 N -3.56 3.41 0.33 3.16 -4.23 -1.10 0.76 115.64 114.40 3kx2 s THR 192 Ca 0.02 0.62 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3kx2 s THR 192 Cb -0.01 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.84 3kx2 s THR 192 CO -0.12 -0.43 1.87 -2.24 -0.54 0.00 0.00 174.62 173.16 3kx2 h ASP 193 N -0.05 0.53 -0.95 3.99 3.04 -1.40 -2.44 116.42 119.13 3kx2 h ASP 193 Ca -0.46 -0.10 0.12 0.00 -3.24 0.00 0.00 57.03 53.35 3kx2 h ASP 193 Cb 1.24 -0.14 -0.08 0.00 -1.04 0.00 0.00 39.33 39.30 3kx2 h ASP 193 CO 0.55 0.58 0.58 1.23 -2.04 0.00 0.00 179.24 180.14 3kx2 h GLY 194 N 0.84 1.56 1.05 7.15 0.00 -1.90 -1.57 103.07 110.20 3kx2 h GLY 194 Ca 0.12 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 3kx2 h GLY 194 CO 0.01 0.12 -0.54 -0.33 0.00 0.00 0.00 176.54 175.80 3kx2 h MET 195 N 0.90 0.74 -0.71 4.80 2.86 -1.77 -1.96 114.93 119.80 3kx2 h MET 195 Ca 0.48 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kx2 h MET 195 Cb 0.51 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3kx2 h MET 195 CO -0.28 1.14 0.35 1.25 1.06 0.00 0.00 176.91 180.43 3kx2 h LEU 196 N 0.46 0.90 -0.43 1.22 5.85 -1.38 0.68 115.31 122.61 3kx2 h LEU 196 Ca -0.01 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3kx2 h LEU 196 Cb 1.16 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3kx2 h LEU 196 CO 0.12 0.75 0.11 0.25 -0.34 0.00 0.00 178.44 179.33 3kx2 h LEU 197 N 0.99 0.07 -1.01 2.25 6.46 -1.14 0.15 115.31 123.08 3kx2 h LEU 197 Ca 0.25 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 3kx2 h LEU 197 Cb 0.08 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3kx2 h LEU 197 CO -0.03 0.07 0.04 0.03 -0.62 0.00 0.00 178.44 177.93 3kx2 h ARG 198 N 0.26 0.75 -0.83 1.25 3.08 -0.44 -1.41 114.38 117.03 3kx2 h ARG 198 Ca 0.20 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3kx2 h ARG 198 Cb 0.23 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3kx2 h ARG 198 CO -0.24 0.74 0.42 0.93 -1.07 0.00 0.00 179.97 180.75 3kx2 h GLU 199 N 0.71 1.17 -0.30 0.04 5.08 -0.29 -2.61 114.58 118.37 3kx2 h GLU 199 Ca 0.15 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3kx2 h GLU 199 Cb 0.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kx2 h GLU 199 CO 0.01 0.87 -0.13 0.00 -1.00 0.00 0.00 179.01 178.77 3kx2 h ALA 200 N 1.30 1.22 -0.09 3.43 0.00 -0.00 0.01 119.26 125.13 3kx2 h ALA 200 Ca 0.29 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kx2 h ALA 200 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kx2 h ALA 200 CO -0.04 0.51 0.06 0.52 0.00 0.00 0.00 179.25 180.29 3kx2 h MET 201 N 0.48 0.09 0.06 0.00 2.86 -0.90 -2.43 114.93 115.08 3kx2 h MET 201 Ca 0.09 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.42 3kx2 h MET 201 Cb 0.51 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3kx2 h MET 201 CO 0.03 0.06 -1.67 0.93 1.06 0.00 0.00 176.91 177.32 3kx2 h GLU 202 N 0.10 0.13 -3.15 1.72 4.39 -1.18 -3.44 114.58 113.14 3kx2 h GLU 202 Ca 0.03 -0.22 -0.57 0.00 0.34 0.00 0.00 59.36 58.95 3kx2 h GLU 202 Cb 0.02 0.08 -0.40 0.00 -0.10 0.00 0.00 28.75 28.35 3kx2 h GLU 202 CO -0.01 0.86 -0.77 0.34 -1.16 0.00 0.00 179.01 178.27 3kx2 s ASP 203 N -6.59 3.72 0.66 1.42 2.15 -0.12 -5.02 116.67 112.89 3kx2 s ASP 203 Ca -0.09 -1.72 0.42 0.00 0.43 0.00 0.00 52.55 51.58 3kx2 s ASP 203 Cb 0.07 -0.68 2.32 0.00 -0.30 0.00 0.00 42.92 44.34 3kx2 s ASP 203 CO 0.82 -0.39 2.34 0.45 -0.17 0.00 0.00 175.17 178.21 3kx2 h HIS 204 N 7.89 0.00 -0.02 -5.34 3.86 -1.73 -0.97 115.15 118.83 3kx2 h HIS 204 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3kx2 h HIS 204 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 3kx2 h HIS 204 CO 0.36 0.00 -0.18 -0.25 0.86 0.00 0.00 177.93 178.73 3kx2 n ASP 205 N -3.17 2.62 -4.13 2.45 8.00 -1.26 -4.93 116.55 116.13 3kx2 n ASP 205 Ca -0.03 -1.81 -0.32 0.00 0.71 0.00 0.00 54.79 53.34 3kx2 n ASP 205 Cb 0.09 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 3kx2 n ASP 205 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kx2 n LEU 206 N 0.83 -1.86 0.30 0.64 4.77 -0.37 -4.78 117.00 116.53 3kx2 n LEU 206 Ca 0.12 -1.03 0.19 0.00 -0.03 0.00 0.00 56.01 55.26 3kx2 n LEU 206 Cb 0.55 -2.11 0.99 0.00 -2.33 0.00 0.00 43.42 40.52 3kx2 n LEU 206 CO 0.20 0.36 1.09 0.77 -1.33 0.00 0.00 177.39 178.48 3kx2 h SER 207 N -1.66 0.00 1.10 -1.43 4.64 -1.93 -1.40 113.55 112.88 3kx2 h SER 207 Ca -0.61 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3kx2 h SER 207 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3kx2 h SER 207 CO 0.72 0.00 -0.11 -0.09 -0.87 0.00 0.00 176.83 176.48 3kx2 h ARG 208 N 0.00 0.00 -5.81 4.77 2.43 -1.94 -3.44 114.38 110.39 3kx2 h ARG 208 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 3kx2 h ARG 208 Cb 0.14 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 3kx2 h ARG 208 CO 0.00 0.11 -0.53 0.71 -1.51 0.00 0.00 179.97 178.75 3kx2 s TYR 209 N -3.59 3.43 -0.06 2.20 2.02 -0.53 -1.16 117.35 119.66 3kx2 s TYR 209 Ca 0.02 0.36 0.19 0.00 -0.37 0.00 0.00 57.07 57.27 3kx2 s TYR 209 Cb 0.09 -1.85 -0.29 0.00 -0.40 0.00 0.00 41.96 39.52 3kx2 s TYR 209 CO 0.60 0.63 0.34 -1.13 -1.57 0.00 0.00 175.55 174.42 3kx2 n SER 210 N 1.67 0.51 -3.89 2.29 3.41 -0.63 -4.88 113.62 112.11 3kx2 n SER 210 Ca -0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.28 3kx2 n SER 210 Cb 0.54 1.66 -0.15 0.00 -0.26 0.00 0.00 64.21 66.00 3kx2 n SER 210 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kx2 s ILE 212 N 0.47 1.93 -0.34 0.00 1.01 -0.36 -1.72 121.20 122.18 3kx2 s ILE 212 Ca -0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 3kx2 s ILE 212 Cb -0.08 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.71 3kx2 s ILE 212 CO -0.01 0.52 0.09 -0.63 0.00 0.00 0.00 174.94 174.92 3kx2 s ILE 213 N 1.02 3.62 -0.45 2.92 1.01 0.10 -1.78 121.20 127.64 3kx2 s ILE 213 Ca -0.03 -1.24 -0.22 0.00 0.00 0.00 0.00 60.65 59.17 3kx2 s ILE 213 Cb -0.15 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.27 3kx2 s ILE 213 CO -0.05 -0.20 0.70 -0.76 0.00 0.00 0.00 174.94 174.62 3kx2 s LEU 214 N 1.36 4.42 0.16 2.97 1.43 -0.17 -0.61 118.68 128.24 3kx2 s LEU 214 Ca -0.02 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3kx2 s LEU 214 Cb -0.20 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3kx2 s LEU 214 CO 0.02 -0.84 0.24 -0.62 0.23 0.00 0.00 176.35 175.38 3kx2 s ASP 215 N 2.08 6.05 -1.52 2.29 2.15 -1.02 -0.74 116.67 125.96 3kx2 s ASP 215 Ca 0.25 0.05 -0.13 0.00 0.43 0.00 0.00 52.55 53.15 3kx2 s ASP 215 Cb -0.13 -1.74 0.08 0.00 -0.30 0.00 0.00 42.92 40.82 3kx2 s ASP 215 CO 0.20 0.04 1.01 -0.62 -0.17 0.00 0.00 175.17 175.63 3kx2 n GLU 216 N -0.57 -5.80 0.01 4.34 -0.58 -0.63 -4.69 120.64 112.72 3kx2 n GLU 216 Ca -0.08 0.62 0.07 0.00 -0.42 0.00 0.00 57.16 57.36 3kx2 n GLU 216 Cb 0.55 -5.53 0.48 0.00 -0.57 0.00 0.00 31.44 26.36 3kx2 n GLU 216 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kx2 h ALA 217 N 0.97 1.85 0.00 0.62 0.00 -1.09 -1.38 119.26 120.23 3kx2 h ALA 217 Ca -0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3kx2 h ALA 217 Cb 1.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3kx2 h ALA 217 CO 0.66 0.10 0.27 1.12 0.00 0.00 0.00 179.25 181.39 3kx2 h HIS 218 N 0.44 0.00 0.00 0.00 2.07 -1.88 0.24 115.15 116.02 3kx2 h HIS 218 Ca 0.17 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.69 3kx2 h HIS 218 Cb 0.15 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.12 3kx2 h HIS 218 CO -0.00 0.00 -0.02 0.93 -3.07 0.00 0.00 177.93 175.77 3kx2 h GLU 219 N 0.00 0.00 -6.49 5.12 5.08 -1.62 -3.47 114.58 113.20 3kx2 h GLU 219 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3kx2 h GLU 219 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3kx2 h GLU 219 CO 0.00 0.02 -0.88 0.54 -1.00 0.00 0.00 179.01 177.69 3kx2 n ARG 220 N -3.11 -3.39 -1.11 2.33 5.12 0.85 -4.68 116.66 112.66 3kx2 n ARG 220 Ca 0.02 0.42 -0.30 0.00 -1.93 0.00 0.00 57.85 56.05 3kx2 n ARG 220 Cb 0.38 -4.60 0.14 0.00 -1.16 0.00 0.00 32.46 27.22 3kx2 n ARG 220 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3kx2 s THR 221 N -3.91 2.68 0.10 0.55 -4.23 -1.26 -2.26 115.64 107.31 3kx2 s THR 221 Ca 0.05 0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.54 3kx2 s THR 221 Cb -0.02 -2.62 -0.11 0.00 1.34 0.00 0.00 72.50 71.08 3kx2 s THR 221 CO 0.89 -0.29 1.71 0.25 -0.54 0.00 0.00 174.62 176.64 3kx2 h LEU 222 N -1.58 -0.19 -0.60 4.79 6.46 -1.92 -1.48 115.31 120.78 3kx2 h LEU 222 Ca -0.48 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 3kx2 h LEU 222 Cb 1.27 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.24 3kx2 h LEU 222 CO 0.52 -0.10 0.36 0.00 -0.62 0.00 0.00 178.44 178.60 3kx2 h ALA 223 N 0.84 0.78 -0.10 1.25 0.00 -1.93 0.03 119.26 120.13 3kx2 h ALA 223 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3kx2 h ALA 223 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kx2 h ALA 223 CO -0.06 0.09 -0.53 1.79 0.00 0.00 0.00 179.25 180.54 3kx2 h THR 224 N 0.71 1.36 -0.69 0.00 1.35 -1.86 -0.68 112.91 113.10 3kx2 h THR 224 Ca 0.24 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3kx2 h THR 224 Cb 0.04 1.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 3kx2 h THR 224 CO -0.11 0.54 0.44 0.44 -0.25 0.00 0.00 175.52 176.58 3kx2 h ASP 225 N 0.22 0.80 -0.25 5.36 5.19 -0.58 0.11 116.42 127.28 3kx2 h ASP 225 Ca 0.00 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3kx2 h ASP 225 Cb 1.01 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 3kx2 h ASP 225 CO 0.09 0.60 0.05 0.40 -3.12 0.00 0.00 179.24 177.26 3kx2 h ILE 226 N 0.93 1.22 -0.69 0.35 2.04 -0.75 -2.47 117.51 118.14 3kx2 h ILE 226 Ca 0.25 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3kx2 h ILE 226 Cb -0.08 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3kx2 h ILE 226 CO -0.05 0.23 0.42 -0.07 0.00 0.00 0.00 178.15 178.68 3kx2 h LEU 227 N 0.22 0.68 -0.75 1.44 3.38 -0.85 -0.41 115.31 119.03 3kx2 h LEU 227 Ca 0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3kx2 h LEU 227 Cb 0.30 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3kx2 h LEU 227 CO 0.00 0.46 0.44 0.24 0.09 0.00 0.00 178.44 179.68 3kx2 h MET 228 N 0.81 0.79 0.00 1.13 2.86 -0.64 0.15 114.93 120.02 3kx2 h MET 228 Ca 0.28 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3kx2 h MET 228 Cb 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3kx2 h MET 228 CO -0.13 0.52 0.00 0.41 1.06 0.00 0.00 176.91 178.78 3kx2 n GLY 229 N -1.30 -2.46 0.30 8.32 0.00 -0.83 -2.08 105.19 107.14 3kx2 n GLY 229 Ca 0.10 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3kx2 n GLY 229 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kx2 h LEU 230 N 0.00 -0.59 -1.21 0.99 3.38 -0.78 0.14 115.31 117.23 3kx2 h LEU 230 Ca 0.00 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3kx2 h LEU 230 Cb 0.00 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kx2 h LEU 230 CO 0.00 -0.26 -0.35 -0.07 0.09 0.00 0.00 178.44 177.85 3kx2 h LEU 231 N 0.03 0.00 -2.34 1.67 3.38 -0.67 -0.14 115.31 117.25 3kx2 h LEU 231 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 3kx2 h LEU 231 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3kx2 h LEU 231 CO -0.81 0.35 -0.04 0.50 0.09 0.00 0.00 178.44 178.53 3kx2 h LYS 232 N 0.00 0.00 0.04 1.13 3.64 -0.14 -1.70 116.57 119.54 3kx2 h LYS 232 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.00 3kx2 h LYS 232 Cb 0.73 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 3kx2 h LYS 232 CO 0.05 0.04 -2.27 1.04 -2.27 0.00 0.00 179.45 176.03 3kx2 n GLN 233 N -3.48 0.69 0.09 1.90 1.13 -0.19 -4.33 117.38 113.18 3kx2 n GLN 233 Ca -0.02 0.18 0.06 0.00 -1.94 0.00 0.00 57.00 55.27 3kx2 n GLN 233 Cb 0.15 -1.60 0.51 0.00 0.11 0.00 0.00 30.24 29.42 3kx2 n GLN 233 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3kx2 h VAL 234 N 0.02 1.05 0.00 5.09 2.07 -0.94 -1.15 116.25 122.39 3kx2 h VAL 234 Ca -0.51 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3kx2 h VAL 234 Cb 1.99 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kx2 h VAL 234 CO -0.01 0.06 -0.21 1.62 0.02 0.00 0.00 177.57 179.05 3kx2 h VAL 235 N 0.34 0.73 0.00 2.57 3.04 -1.51 0.73 116.25 122.16 3kx2 h VAL 235 Ca 0.10 -0.87 -0.13 0.00 -1.01 0.00 0.00 66.70 64.80 3kx2 h VAL 235 Cb -0.00 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 3kx2 h VAL 235 CO -0.02 0.20 -0.62 0.11 -1.01 0.00 0.00 177.57 176.24 3kx2 h LYS 236 N 0.00 0.00 0.00 4.17 1.57 -1.41 -3.29 116.57 117.61 3kx2 h LYS 236 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kx2 h LYS 236 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kx2 h LYS 236 CO 0.03 0.62 -1.16 0.54 -0.57 0.00 0.00 179.45 178.91 3kx2 n ARG 237 N -3.71 0.61 -3.78 3.15 1.74 -0.11 -4.74 116.66 109.82 3kx2 n ARG 237 Ca -0.01 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 3kx2 n ARG 237 Cb 0.63 -1.78 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 3kx2 n ARG 237 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3kx2 s ARG 238 N -3.39 0.89 0.59 5.56 1.70 0.06 -4.97 118.95 119.39 3kx2 s ARG 238 Ca -0.02 -0.69 0.37 0.00 -0.47 0.00 0.00 55.73 54.92 3kx2 s ARG 238 Cb 0.10 -2.20 1.71 0.00 -0.57 0.00 0.00 34.95 33.99 3kx2 s ARG 238 CO 0.81 -0.70 2.11 -1.35 -1.08 0.00 0.00 175.30 175.09 3kx2 h PRO 239 N 8.14 0.00 -0.04 3.89 0.11 -1.85 -2.90 132.00 139.35 3kx2 h PRO 239 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3kx2 h PRO 239 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kx2 h PRO 239 CO 0.38 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.78 3kx2 n ASP 240 N -3.12 0.77 -4.64 -2.05 5.75 -1.26 -4.81 116.55 107.20 3kx2 n ASP 240 Ca -0.01 -1.39 -0.35 0.00 -0.01 0.00 0.00 54.79 53.04 3kx2 n ASP 240 Cb 0.23 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 3kx2 n ASP 240 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3kx2 s LEU 241 N -1.80 3.86 0.09 -2.12 2.96 -1.10 -4.78 118.68 115.79 3kx2 s LEU 241 Ca 0.37 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 3kx2 s LEU 241 Cb 0.19 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3kx2 s LEU 241 CO 0.30 0.16 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.89 3kx2 s LYS 242 N 0.47 2.32 -0.04 1.98 1.02 -0.18 -4.91 119.74 120.40 3kx2 s LYS 242 Ca 0.04 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.11 3kx2 s LYS 242 Cb -0.12 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3kx2 s LYS 242 CO 0.00 0.53 -0.03 0.42 -0.92 0.00 0.00 175.35 175.35 3kx2 s ILE 243 N -1.24 0.39 -0.11 2.17 1.01 0.08 -1.23 121.20 122.27 3kx2 s ILE 243 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.87 3kx2 s ILE 243 Cb -0.11 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.91 3kx2 s ILE 243 CO 0.15 0.20 -0.21 -0.63 0.00 0.00 0.00 174.94 174.45 3kx2 s ILE 244 N 0.99 1.88 -0.29 2.92 1.01 -0.73 -1.36 121.20 125.61 3kx2 s ILE 244 Ca -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 3kx2 s ILE 244 Cb -0.14 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 3kx2 s ILE 244 CO -0.01 0.52 0.10 -0.63 0.00 0.00 0.00 174.94 174.92 3kx2 s ILE 245 N 0.61 4.32 -0.06 2.92 -1.09 0.47 -1.00 121.20 127.38 3kx2 s ILE 245 Ca -0.13 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3kx2 s ILE 245 Cb -0.17 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 3kx2 s ILE 245 CO 0.04 0.16 -0.07 -0.04 -1.23 0.00 0.00 174.94 173.80 3kx2 s MET 246 N 1.58 2.71 -0.01 2.79 -1.94 0.08 0.33 119.30 124.85 3kx2 s MET 246 Ca 0.05 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.27 3kx2 s MET 246 Cb -0.16 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.13 3kx2 s MET 246 CO 0.04 0.65 0.39 0.45 -0.01 0.00 0.00 175.02 176.54 3kx2 s SER 247 N -0.91 -0.28 0.18 3.03 0.15 -0.49 -0.66 113.70 114.71 3kx2 s SER 247 Ca 0.13 0.17 0.19 0.00 0.70 0.00 0.00 55.95 57.14 3kx2 s SER 247 Cb -0.11 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 3kx2 s SER 247 CO 0.02 -0.51 1.06 0.00 1.20 0.00 0.00 173.24 175.02 3kx2 h ALA 248 N 3.59 0.64 -2.09 5.45 0.00 -1.87 -2.26 119.26 122.72 3kx2 h ALA 248 Ca -0.29 -0.42 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 3kx2 h ALA 248 Cb 1.17 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3kx2 h ALA 248 CO 0.41 0.48 0.83 0.95 0.00 0.00 0.00 179.25 181.92 3kx2 s THR 249 N -3.11 4.56 -1.95 0.00 -4.23 -1.26 -4.36 115.64 105.30 3kx2 s THR 249 Ca -0.00 1.88 0.06 0.00 -1.18 0.00 0.00 61.69 62.45 3kx2 s THR 249 Cb 0.08 -4.24 0.16 0.00 1.34 0.00 0.00 72.50 69.85 3kx2 s THR 249 CO 0.78 -0.19 0.83 0.18 -0.54 0.00 0.00 174.62 175.68 3kx2 n LEU 250 N 6.45 0.00 -4.71 4.79 4.77 -1.26 -4.43 117.00 122.61 3kx2 n LEU 250 Ca 0.13 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3kx2 n LEU 250 Cb 0.46 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3kx2 n LEU 250 CO 0.54 -0.02 0.77 -0.62 -1.33 0.00 0.00 177.39 176.73 3kx2 s ASP 251 N -2.05 7.24 0.00 -1.43 3.68 -1.26 -4.90 116.67 117.95 3kx2 s ASP 251 Ca 0.08 1.83 0.00 0.00 2.13 0.00 0.00 52.55 56.60 3kx2 s ASP 251 Cb 0.04 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 3kx2 s ASP 251 CO 0.07 -0.35 0.00 0.00 0.13 0.00 0.00 175.17 175.02 3kx2 n ALA 252 N 3.83 0.65 -0.18 3.66 0.00 -1.26 -4.93 120.51 122.28 3kx2 n ALA 252 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 3kx2 n ALA 252 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3kx2 n ALA 252 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kx2 n GLU 253 N -0.33 -0.19 -0.32 0.00 4.71 -1.26 -0.64 120.64 122.61 3kx2 n GLU 253 Ca 0.00 0.96 0.08 0.00 -0.01 0.00 0.00 57.16 58.20 3kx2 n GLU 253 Cb 0.00 -1.42 0.25 0.00 -1.01 0.00 0.00 31.44 29.26 3kx2 n GLU 253 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3kx2 h LYS 254 N 0.00 0.70 -0.33 3.49 1.57 -1.99 -0.16 116.57 119.85 3kx2 h LYS 254 Ca 0.07 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3kx2 h LYS 254 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kx2 h LYS 254 CO -0.40 0.46 -0.18 0.74 -0.57 0.00 0.00 179.45 179.50 3kx2 h PHE 255 N 0.72 0.81 -0.57 -1.35 0.04 -1.24 -1.92 116.94 113.44 3kx2 h PHE 255 Ca 0.50 -0.21 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 3kx2 h PHE 255 Cb 0.68 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3kx2 h PHE 255 CO -0.05 0.93 0.29 1.96 -0.60 0.00 0.00 178.31 180.83 3kx2 h GLN 256 N 0.47 0.81 -0.09 1.51 4.20 0.20 -1.03 115.11 121.18 3kx2 h GLN 256 Ca 0.07 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3kx2 h GLN 256 Cb 0.73 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3kx2 h GLN 256 CO 0.05 0.65 0.02 0.00 -0.67 0.00 0.00 178.83 178.88 3kx2 h ARG 257 N 0.77 0.06 -0.77 1.46 2.47 -1.08 0.24 114.38 117.53 3kx2 h ARG 257 Ca 0.20 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.95 3kx2 h ARG 257 Cb 0.09 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 3kx2 h ARG 257 CO -0.03 0.04 0.51 -0.92 0.56 0.00 0.00 179.97 180.13 3kx2 h TYR 258 N 0.07 0.89 -1.11 3.04 3.20 -0.88 -1.87 116.97 120.32 3kx2 h TYR 258 Ca 0.04 0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.32 3kx2 h TYR 258 Cb 0.02 -0.30 -0.24 0.00 1.54 0.00 0.00 36.73 37.75 3kx2 h TYR 258 CO -0.10 0.51 0.77 1.19 -1.64 0.00 0.00 178.16 178.89 3kx2 n PHE 259 N -4.46 2.65 -3.55 -3.82 3.72 -0.43 -4.88 117.46 106.69 3kx2 n PHE 259 Ca 0.10 -2.54 -0.19 0.00 -0.05 0.00 0.00 57.45 54.76 3kx2 n PHE 259 Cb 0.14 -1.29 0.07 0.00 -0.94 0.00 0.00 39.48 37.46 3kx2 n PHE 259 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3kx2 n ASN 260 N -0.38 -1.97 -3.05 4.37 3.02 -0.70 -2.24 115.26 114.31 3kx2 n ASN 260 Ca 0.53 -0.69 -0.22 0.00 -0.03 0.00 0.00 54.58 54.16 3kx2 n ASN 260 Cb 0.54 -4.70 0.04 0.00 -0.61 0.00 0.00 39.78 35.06 3kx2 n ASN 260 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kx2 n ASP 261 N -3.09 -6.13 -4.62 6.41 8.00 0.81 -4.95 116.55 112.99 3kx2 n ASP 261 Ca -0.27 -0.32 -0.36 0.00 0.71 0.00 0.00 54.79 54.55 3kx2 n ASP 261 Cb 0.66 -4.91 0.08 0.00 -0.02 0.00 0.00 41.12 36.93 3kx2 n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kx2 n ALA 262 N -3.75 -0.13 -1.75 2.24 0.00 -0.95 -4.97 120.51 111.19 3kx2 n ALA 262 Ca -0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 3kx2 n ALA 262 Cb 0.61 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.95 3kx2 n ALA 262 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kx2 s PRO 263 N -3.23 3.45 -0.07 0.00 0.04 -1.26 -4.75 135.00 129.18 3kx2 s PRO 263 Ca 0.74 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.74 3kx2 s PRO 263 Cb -0.36 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 3kx2 s PRO 263 CO 0.49 -0.69 -0.20 -1.17 0.04 0.00 0.00 177.00 175.47 3kx2 s LEU 264 N -4.94 1.96 -0.18 -3.56 2.96 -1.26 -1.54 118.68 112.11 3kx2 s LEU 264 Ca 0.58 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3kx2 s LEU 264 Cb -0.12 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 3kx2 s LEU 264 CO 0.47 0.16 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.36 3kx2 s LEU 265 N 0.20 2.86 -0.10 -0.68 0.20 -0.55 -5.00 118.68 115.61 3kx2 s LEU 265 Ca -0.11 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.38 3kx2 s LEU 265 Cb -0.15 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 3kx2 s LEU 265 CO 0.05 0.06 -0.15 0.00 -0.29 0.00 0.00 176.35 176.02 3kx2 s ALA 266 N 0.99 2.58 -0.21 5.97 0.00 -1.26 -0.93 121.76 128.90 3kx2 s ALA 266 Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 3kx2 s ALA 266 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3kx2 s ALA 266 CO -0.00 0.35 0.42 0.08 0.00 0.00 0.00 175.76 176.61 3kx2 s VAL 267 N -0.01 5.18 0.43 0.00 1.01 0.11 -4.98 120.40 122.14 3kx2 s VAL 267 Ca -0.04 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 3kx2 s VAL 267 Cb -0.14 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3kx2 s VAL 267 CO 0.04 0.23 1.40 -2.84 0.00 0.00 0.00 175.10 173.93 3kx2 s PRO 268 N 1.45 3.79 0.39 2.72 0.02 -1.26 -4.57 135.00 137.55 3kx2 s PRO 268 Ca 0.20 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.33 3kx2 s PRO 268 Cb -0.15 -2.71 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 3kx2 s PRO 268 CO 0.08 -0.72 1.16 0.20 -0.33 0.00 0.00 177.00 177.39 3kx2 s GLY 269 N -0.53 2.86 -0.13 0.52 0.00 -1.26 -4.91 107.32 103.87 3kx2 s GLY 269 Ca 0.59 0.94 0.15 0.00 0.00 0.00 0.00 44.72 46.40 3kx2 s GLY 269 CO 0.55 1.45 1.16 0.54 0.00 0.00 0.00 173.10 176.81 3kx2 n ARG 270 N 0.11 1.05 -2.61 2.90 1.74 -1.26 -5.06 116.66 113.52 3kx2 n ARG 270 Ca 0.04 -2.58 -0.41 0.00 -0.77 0.00 0.00 57.85 54.13 3kx2 n ARG 270 Cb 0.47 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 3kx2 n ARG 270 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kx2 s THR 271 N -2.23 4.16 0.72 0.55 2.01 -1.26 -4.93 115.64 114.65 3kx2 s THR 271 Ca 0.31 1.83 -0.11 0.00 0.31 0.00 0.00 61.69 64.02 3kx2 s THR 271 Cb 0.30 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kx2 s THR 271 CO -0.04 0.30 1.07 -0.31 -0.69 0.00 0.00 174.62 174.94 3kx2 s TYR 272 N -0.11 3.09 0.50 4.92 1.51 0.83 -4.99 117.35 123.10 3kx2 s TYR 272 Ca 0.48 1.30 -0.23 0.00 -1.01 0.00 0.00 57.07 57.61 3kx2 s TYR 272 Cb -0.27 -2.95 -0.07 0.00 -0.11 0.00 0.00 41.96 38.56 3kx2 s TYR 272 CO 0.32 -1.35 1.32 -2.30 -1.11 0.00 0.00 175.55 172.44 3kx2 n PRO 273 N -3.18 1.81 -3.92 -1.71 -0.02 -1.26 -4.60 135.00 122.12 3kx2 n PRO 273 Ca 0.07 0.66 -0.28 0.00 -2.02 0.00 0.00 63.50 61.92 3kx2 n PRO 273 Cb 0.55 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 3kx2 n PRO 273 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kx2 s VAL 274 N -1.26 1.21 0.07 -1.45 1.01 -1.26 -1.68 120.40 117.04 3kx2 s VAL 274 Ca 0.67 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 3kx2 s VAL 274 Cb -0.45 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3kx2 s VAL 274 CO 0.53 0.25 1.10 -0.70 0.00 0.00 0.00 175.10 176.28 3kx2 s GLU 275 N 1.61 4.52 -0.20 2.72 2.12 -0.06 -4.84 118.70 124.57 3kx2 s GLU 275 Ca 0.02 1.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.92 3kx2 s GLU 275 Cb -0.14 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3kx2 s GLU 275 CO -0.08 -0.10 0.07 -0.51 -0.54 0.00 0.00 175.26 174.10 3kx2 s LEU 276 N 0.68 3.73 -0.11 2.70 1.43 -1.26 -0.53 118.68 125.31 3kx2 s LEU 276 Ca 0.54 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3kx2 s LEU 276 Cb -0.27 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3kx2 s LEU 276 CO 0.30 0.12 -0.09 -0.31 0.23 0.00 0.00 176.35 176.60 3kx2 s TYR 277 N 0.69 2.90 0.20 0.29 2.02 0.15 -4.97 117.35 118.64 3kx2 s TYR 277 Ca 0.03 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.53 3kx2 s TYR 277 Cb -0.13 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3kx2 s TYR 277 CO 0.02 0.02 -0.21 0.71 -1.57 0.00 0.00 175.55 174.52 3kx2 s TYR 278 N -0.05 2.36 0.29 2.71 2.02 -1.26 -0.38 117.35 123.04 3kx2 s TYR 278 Ca -0.01 -0.33 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 3kx2 s TYR 278 Cb -0.14 -1.14 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3kx2 s TYR 278 CO 0.03 0.53 0.97 0.95 -1.57 0.00 0.00 175.55 176.46 3kx2 s THR 279 N -1.80 4.04 0.22 -0.71 -4.23 -0.64 -4.96 115.64 107.54 3kx2 s THR 279 Ca 0.23 1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 62.57 3kx2 s THR 279 Cb -0.08 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.67 3kx2 s THR 279 CO 0.12 0.31 1.62 -0.65 -0.54 0.00 0.00 174.62 175.47 3kx2 h PRO 280 N 3.61 0.72 -6.18 3.99 0.11 -1.96 -3.34 132.00 128.95 3kx2 h PRO 280 Ca -0.46 -0.31 -0.59 0.00 0.11 0.00 0.00 66.00 64.76 3kx2 h PRO 280 Cb 1.20 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 3kx2 h PRO 280 CO 0.66 0.91 -0.70 -1.21 -0.21 0.00 0.00 178.00 177.46 3kx2 s GLU 281 N -4.51 1.98 0.50 1.05 0.41 -1.26 -4.92 118.70 111.95 3kx2 s GLU 281 Ca -0.09 -1.62 -0.23 0.00 -0.41 0.00 0.00 54.97 52.63 3kx2 s GLU 281 Cb 0.13 -1.95 -0.07 0.00 -1.78 0.00 0.00 34.13 30.45 3kx2 s GLU 281 CO 0.83 0.32 1.18 0.34 -0.49 0.00 0.00 175.26 177.45 3kx2 n PHE 282 N -0.77 1.71 -3.82 1.61 7.35 -1.26 -4.64 117.46 117.64 3kx2 n PHE 282 Ca -0.06 0.47 -0.36 0.00 -0.76 0.00 0.00 57.45 56.75 3kx2 n PHE 282 Cb 0.60 -2.29 -0.12 0.00 0.35 0.00 0.00 39.48 38.01 3kx2 n PHE 282 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kx2 s GLN 283 N -2.50 2.12 0.21 -4.13 2.00 -1.26 -4.97 119.66 111.13 3kx2 s GLN 283 Ca 0.68 -1.65 -0.05 0.00 -2.00 0.00 0.00 55.36 52.34 3kx2 s GLN 283 Cb -0.47 -3.46 0.17 0.00 0.80 0.00 0.00 33.01 30.05 3kx2 s GLN 283 CO 0.53 -0.93 1.62 -0.09 -0.50 0.00 0.00 175.29 175.92 3kx2 h ARG 284 N 8.03 0.79 -3.78 1.67 9.65 -1.95 -3.39 114.38 125.40 3kx2 h ARG 284 Ca -0.15 -0.32 -0.63 0.00 -1.10 0.00 0.00 59.98 57.77 3kx2 h ARG 284 Cb 1.05 -0.04 -0.40 0.00 -1.39 0.00 0.00 29.97 29.19 3kx2 h ARG 284 CO 0.64 0.94 -0.70 -0.51 2.80 0.00 0.00 179.97 183.15 3kx2 s ASP 285 N -6.75 4.30 0.21 -3.80 1.01 -1.26 -5.00 116.67 105.39 3kx2 s ASP 285 Ca -0.09 -2.44 0.10 0.00 0.71 0.00 0.00 52.55 50.82 3kx2 s ASP 285 Cb 0.13 -1.41 0.11 0.00 1.01 0.00 0.00 42.92 42.76 3kx2 s ASP 285 CO 0.84 -0.32 1.46 0.10 0.21 0.00 0.00 175.17 177.46 3kx2 h TYR 286 N 7.16 0.00 0.23 4.23 -0.00 -1.97 -3.29 116.97 123.33 3kx2 h TYR 286 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.67 3kx2 h TYR 286 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.67 3kx2 h TYR 286 CO 0.47 0.76 -0.21 1.25 -0.00 0.00 0.00 178.16 180.43 3kx2 h LEU 287 N 0.00 -0.56 -0.98 0.10 5.85 -1.98 0.34 115.31 118.08 3kx2 h LEU 287 Ca -0.01 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3kx2 h LEU 287 Cb 1.40 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 3kx2 h LEU 287 CO 0.10 -0.32 -0.17 0.44 -0.34 0.00 0.00 178.44 178.15 3kx2 h ASP 288 N -0.46 0.53 -0.32 1.25 3.32 -2.00 -0.34 116.42 118.40 3kx2 h ASP 288 Ca -0.01 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 3kx2 h ASP 288 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3kx2 h ASP 288 CO -0.04 0.72 0.14 -1.28 -1.72 0.00 0.00 179.24 177.06 3kx2 h SER 289 N 0.49 0.43 -0.52 6.45 0.87 -1.54 -0.42 113.55 119.32 3kx2 h SER 289 Ca 0.08 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3kx2 h SER 289 Cb 0.58 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 3kx2 h SER 289 CO 0.04 0.46 0.26 0.00 -0.53 0.00 0.00 176.83 177.05 3kx2 h ALA 290 N 0.99 0.66 -0.42 6.23 0.00 0.13 -1.29 119.26 125.56 3kx2 h ALA 290 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kx2 h ALA 290 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kx2 h ALA 290 CO -0.01 -0.09 0.22 0.82 0.00 0.00 0.00 179.25 180.19 3kx2 h ILE 291 N 0.50 1.16 -0.80 0.00 2.04 -0.90 -1.70 117.51 117.81 3kx2 h ILE 291 Ca 0.23 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kx2 h ILE 291 Cb 0.15 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3kx2 h ILE 291 CO -0.17 0.17 0.50 -0.09 0.00 0.00 0.00 178.15 178.56 3kx2 h ARG 292 N 0.54 1.08 -0.01 2.37 2.43 -0.84 -2.63 114.38 117.31 3kx2 h ARG 292 Ca 0.15 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3kx2 h ARG 292 Cb 0.08 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3kx2 h ARG 292 CO -0.02 0.74 -0.74 0.00 -1.51 0.00 0.00 179.97 178.44 3kx2 h THR 293 N 1.09 1.51 -0.43 0.20 1.03 -0.92 -1.87 112.91 113.52 3kx2 h THR 293 Ca 0.29 -2.48 0.01 0.00 -0.01 0.00 0.00 66.41 64.23 3kx2 h THR 293 Cb -0.07 2.34 -0.03 0.00 -1.07 0.00 0.00 68.15 69.33 3kx2 h THR 293 CO -0.06 0.71 0.26 0.58 -0.01 0.00 0.00 175.52 177.01 3kx2 h VAL 294 N 0.03 1.06 -0.31 0.00 2.07 -1.13 -0.68 116.25 117.29 3kx2 h VAL 294 Ca -0.01 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 3kx2 h VAL 294 Cb 1.31 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3kx2 h VAL 294 CO 0.10 0.10 -0.36 -0.07 0.02 0.00 0.00 177.57 177.36 3kx2 h LEU 295 N 0.53 0.74 -0.23 2.57 3.38 -1.33 -1.62 115.31 119.35 3kx2 h LEU 295 Ca 0.17 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3kx2 h LEU 295 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kx2 h LEU 295 CO -0.06 1.03 0.09 -0.61 0.09 0.00 0.00 178.44 178.97 3kx2 h GLN 296 N 0.59 0.35 -0.42 1.13 4.15 -1.27 -1.73 115.11 117.91 3kx2 h GLN 296 Ca 0.06 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.49 3kx2 h GLN 296 Cb 0.88 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.44 3kx2 h GLN 296 CO 0.08 0.40 -0.04 0.82 -1.93 0.00 0.00 178.83 178.16 3kx2 h ILE 297 N 0.22 0.63 -0.27 2.39 2.04 -0.92 -1.24 117.51 120.37 3kx2 h ILE 297 Ca 0.08 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 3kx2 h ILE 297 Cb 0.19 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3kx2 h ILE 297 CO -0.01 0.01 -0.09 -0.74 0.00 0.00 0.00 178.15 177.32 3kx2 h HIS 298 N 0.06 0.46 0.00 1.37 2.76 -1.05 0.29 115.15 119.04 3kx2 h HIS 298 Ca 0.21 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 3kx2 h HIS 298 Cb 0.31 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3kx2 h HIS 298 CO -0.32 0.52 -0.72 0.00 -1.30 0.00 0.00 177.93 176.11 3kx2 h ALA 299 N 1.50 0.69 0.00 5.26 0.00 -0.94 -3.40 119.26 122.37 3kx2 h ALA 299 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kx2 h ALA 299 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kx2 h ALA 299 CO 0.02 0.28 -1.00 0.25 0.00 0.00 0.00 179.25 178.81 3kx2 n THR 300 N -2.93 0.00 -3.69 0.00 -2.24 -0.50 -5.06 114.28 99.86 3kx2 n THR 300 Ca -0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3kx2 n THR 300 Cb 0.63 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3kx2 n THR 300 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kx2 s GLU 301 N -1.99 3.48 0.91 -0.78 0.41 0.07 -5.06 118.70 115.73 3kx2 s GLU 301 Ca 0.00 -0.49 -0.13 0.00 -0.41 0.00 0.00 54.97 53.95 3kx2 s GLU 301 Cb 0.00 -2.80 0.14 0.00 -1.78 0.00 0.00 34.13 29.69 3kx2 s GLU 301 CO 0.00 0.33 1.15 -1.83 -0.49 0.00 0.00 175.26 174.42 3kx2 s GLU 302 N -3.87 1.17 0.29 1.61 -1.05 -1.26 -4.87 118.70 110.72 3kx2 s GLU 302 Ca 0.37 0.22 -0.22 0.00 -0.15 0.00 0.00 54.97 55.19 3kx2 s GLU 302 Cb -0.10 -1.85 -0.15 0.00 -0.44 0.00 0.00 34.13 31.59 3kx2 s GLU 302 CO 0.31 -2.16 0.26 0.00 0.95 0.00 0.00 175.26 174.62 3kx2 n ALA 303 N -3.73 -2.81 0.00 -0.84 0.00 -1.26 -4.93 120.51 106.95 3kx2 n ALA 303 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3kx2 n ALA 303 Cb 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3kx2 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx2 n GLY 304 N 2.01 4.32 3.91 0.00 0.00 -1.26 -4.99 105.19 109.17 3kx2 n GLY 304 Ca 0.13 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3kx2 n GLY 304 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kx2 s ASP 305 N 0.00 5.65 -0.08 1.61 1.01 -0.46 -4.72 116.67 119.68 3kx2 s ASP 305 Ca 0.00 0.81 0.03 0.00 0.71 0.00 0.00 52.55 54.10 3kx2 s ASP 305 Cb 0.00 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 3kx2 s ASP 305 CO 0.00 -1.05 -0.17 -0.63 0.21 0.00 0.00 175.17 173.53 3kx2 s ILE 306 N -3.02 2.75 -0.26 0.77 1.01 0.02 -1.14 121.20 121.32 3kx2 s ILE 306 Ca 0.54 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3kx2 s ILE 306 Cb -0.11 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3kx2 s ILE 306 CO 0.46 0.56 -0.03 -0.22 0.00 0.00 0.00 174.94 175.71 3kx2 s LEU 307 N -0.13 3.32 -0.19 2.97 2.96 0.63 -0.63 118.68 127.61 3kx2 s LEU 307 Ca -0.02 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 52.98 3kx2 s LEU 307 Cb -0.14 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3kx2 s LEU 307 CO 0.04 -0.14 0.02 -0.22 -1.32 0.00 0.00 176.35 174.72 3kx2 s LEU 308 N 1.35 3.45 -0.31 -0.68 2.96 -0.12 -0.78 118.68 124.55 3kx2 s LEU 308 Ca 0.00 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.65 3kx2 s LEU 308 Cb -0.17 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3kx2 s LEU 308 CO -0.03 0.11 0.45 -0.36 -1.32 0.00 0.00 176.35 175.20 3kx2 s PHE 309 N 0.73 3.22 0.00 5.38 0.08 -0.95 -0.16 117.98 126.29 3kx2 s PHE 309 Ca 0.01 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.37 3kx2 s PHE 309 Cb -0.14 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 3kx2 s PHE 309 CO 0.02 -0.38 0.00 1.28 -0.10 0.00 0.00 175.22 176.04 3kx2 n LEU 310 N 5.53 0.00 -0.00 -0.37 4.77 0.16 -4.33 117.00 122.75 3kx2 n LEU 310 Ca -0.06 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3kx2 n LEU 310 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3kx2 n LEU 310 CO 0.41 -0.00 -0.51 0.41 -1.33 0.00 0.00 177.39 176.36 3kx2 n THR 311 N -0.00 0.03 -3.68 -5.08 -1.04 -1.26 -4.16 114.28 99.08 3kx2 n THR 311 Ca 0.00 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 3kx2 n THR 311 Cb 0.00 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.54 3kx2 n THR 311 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kx2 s GLY 312 N -3.12 -0.30 0.17 3.41 0.00 -1.26 -4.17 107.32 102.05 3kx2 s GLY 312 Ca -0.00 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 3kx2 s GLY 312 CO 0.02 0.09 1.76 1.05 0.00 0.00 0.00 173.10 176.02 3kx2 h GLU 313 N 2.00 0.83 0.05 2.90 4.11 -1.98 0.43 114.58 122.92 3kx2 h GLU 313 Ca -0.24 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.08 3kx2 h GLU 313 Cb 1.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3kx2 h GLU 313 CO 0.27 0.66 -0.02 -0.44 0.07 0.00 0.00 179.01 179.55 3kx2 h ASP 314 N 0.79 -0.05 -0.76 3.06 3.32 -1.99 0.26 116.42 121.06 3kx2 h ASP 314 Ca 0.20 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3kx2 h ASP 314 Cb 0.10 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3kx2 h ASP 314 CO -0.03 -0.01 0.45 -0.08 -1.72 0.00 0.00 179.24 177.85 3kx2 h GLU 315 N -0.09 0.81 -0.19 3.56 4.81 -1.93 -0.76 114.58 120.79 3kx2 h GLU 315 Ca -0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kx2 h GLU 315 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3kx2 h GLU 315 CO 0.01 0.54 0.02 0.82 -0.73 0.00 0.00 179.01 179.67 3kx2 h ILE 316 N 0.84 1.24 -0.53 2.32 2.04 -0.35 -1.37 117.51 121.70 3kx2 h ILE 316 Ca 0.33 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3kx2 h ILE 316 Cb 0.16 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3kx2 h ILE 316 CO -0.17 0.24 0.25 -0.33 0.00 0.00 0.00 178.15 178.14 3kx2 h GLU 317 N 0.09 0.74 -0.78 2.37 4.39 -0.27 0.12 114.58 121.24 3kx2 h GLU 317 Ca 0.06 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3kx2 h GLU 317 Cb 0.35 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3kx2 h GLU 317 CO 0.01 0.58 0.27 0.22 -1.16 0.00 0.00 179.01 178.93 3kx2 h ASP 318 N 0.74 1.10 0.70 1.42 3.58 -0.90 -2.21 116.42 120.86 3kx2 h ASP 318 Ca 0.18 -0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 3kx2 h ASP 318 Cb 0.08 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 3kx2 h ASP 318 CO -0.02 1.00 -0.83 0.00 -2.88 0.00 0.00 179.24 176.50 3kx2 h ALA 319 N 1.15 0.61 -0.27 -0.78 0.00 -0.31 -2.20 119.26 117.46 3kx2 h ALA 319 Ca 0.25 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kx2 h ALA 319 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kx2 h ALA 319 CO -0.01 0.96 0.17 0.28 0.00 0.00 0.00 179.25 180.64 3kx2 h VAL 320 N 0.05 1.09 -0.38 0.00 2.07 -0.57 -0.20 116.25 118.31 3kx2 h VAL 320 Ca -0.02 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3kx2 h VAL 320 Cb 1.45 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3kx2 h VAL 320 CO 0.12 0.09 -0.25 0.08 0.02 0.00 0.00 177.57 177.63 3kx2 h ARG 321 N 0.35 0.83 -0.38 1.57 0.11 -1.33 -0.04 114.38 115.49 3kx2 h ARG 321 Ca 0.10 -0.39 -0.03 0.00 0.10 0.00 0.00 59.98 59.76 3kx2 h ARG 321 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 3kx2 h ARG 321 CO -0.02 1.03 0.13 0.87 0.10 0.00 0.00 179.97 182.08 3kx2 h LYS 322 N 0.63 0.58 -0.20 0.08 1.57 -1.33 -0.07 116.57 117.83 3kx2 h LYS 322 Ca 0.08 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3kx2 h LYS 322 Cb 0.82 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3kx2 h LYS 322 CO 0.07 0.58 -0.59 0.82 -0.57 0.00 0.00 179.45 179.76 3kx2 h ILE 323 N 0.46 1.31 0.10 1.86 2.04 -1.01 -0.67 117.51 121.60 3kx2 h ILE 323 Ca 0.12 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 3kx2 h ILE 323 Cb 0.23 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3kx2 h ILE 323 CO -0.01 0.58 -0.05 -1.28 0.00 0.00 0.00 178.15 177.39 3kx2 h SER 324 N 0.50 -0.12 -0.58 1.72 0.87 -0.92 0.14 113.55 115.17 3kx2 h SER 324 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3kx2 h SER 324 Cb 1.16 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 3kx2 h SER 324 CO 0.12 -0.08 0.26 0.25 -0.53 0.00 0.00 176.83 176.85 3kx2 h LEU 325 N -0.15 0.77 -0.65 2.23 5.85 -0.87 -1.68 115.31 120.82 3kx2 h LEU 325 Ca -0.01 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.43 3kx2 h LEU 325 Cb 0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3kx2 h LEU 325 CO 0.02 0.70 -0.63 -0.33 -0.34 0.00 0.00 178.44 177.86 3kx2 h GLU 326 N 0.79 0.00 0.06 1.25 5.08 -1.03 -2.46 114.58 118.28 3kx2 h GLU 326 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3kx2 h GLU 326 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kx2 h GLU 326 CO -0.02 0.63 -0.03 0.78 -1.00 0.00 0.00 179.01 179.36 3kx2 h GLY 327 N 2.12 -0.09 0.55 -3.84 0.00 -0.29 -1.34 103.07 100.19 3kx2 h GLY 327 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.44 3kx2 h GLY 327 CO 0.08 -0.03 0.42 -0.55 0.00 0.00 0.00 176.54 176.46 3kx2 h ASP 328 N -0.16 0.60 -0.51 0.19 3.32 -1.24 -1.25 116.42 117.37 3kx2 h ASP 328 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3kx2 h ASP 328 Cb 0.13 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3kx2 h ASP 328 CO 0.01 0.35 0.27 1.56 -1.72 0.00 0.00 179.24 179.71 3kx2 h GLN 329 N 0.72 0.76 -0.14 3.56 4.20 -1.20 -2.53 115.11 120.49 3kx2 h GLN 329 Ca 0.36 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.86 3kx2 h GLN 329 Cb 0.32 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3kx2 h GLN 329 CO -0.23 0.58 -0.45 -0.07 -0.67 0.00 0.00 178.83 177.99 3kx2 h LEU 330 N 0.76 0.35 0.25 1.46 3.38 -0.09 -0.80 115.31 120.63 3kx2 h LEU 330 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kx2 h LEU 330 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kx2 h LEU 330 CO -0.03 0.76 -0.12 0.58 0.09 0.00 0.00 178.44 179.72 3kx2 h VAL 331 N 0.27 0.79 -0.25 1.22 2.07 -0.98 -0.92 116.25 118.45 3kx2 h VAL 331 Ca 0.02 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 3kx2 h VAL 331 Cb 0.91 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kx2 h VAL 331 CO 0.07 0.06 -0.44 0.03 0.02 0.00 0.00 177.57 177.32 3kx2 h ARG 332 N -0.48 0.63 0.14 1.57 3.08 -1.46 -1.54 114.38 116.32 3kx2 h ARG 332 Ca -0.03 -0.34 -0.36 0.00 0.07 0.00 0.00 59.98 59.32 3kx2 h ARG 332 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kx2 h ARG 332 CO 0.06 0.95 -1.90 0.93 -1.07 0.00 0.00 179.97 178.93 3kx2 h GLU 333 N 0.51 0.29 -0.00 0.04 5.08 -1.20 -3.41 114.58 115.90 3kx2 h GLU 333 Ca 0.04 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3kx2 h GLU 333 Cb 0.97 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kx2 h GLU 333 CO 0.09 1.21 -0.18 0.39 -1.00 0.00 0.00 179.01 179.52 3kx2 n GLU 334 N -3.49 4.85 -1.94 2.33 -0.58 -0.40 -5.01 120.64 116.38 3kx2 n GLU 334 Ca -0.29 -0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.33 3kx2 n GLU 334 Cb 1.06 -0.75 -0.00 0.00 -0.57 0.00 0.00 31.44 31.17 3kx2 n GLU 334 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kx2 n GLY 335 N 1.00 0.30 3.72 0.62 0.00 -0.58 -4.99 105.19 105.27 3kx2 n GLY 335 Ca 0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 3kx2 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx2 s GLY 337 N -3.26 1.61 0.68 0.00 0.00 -1.24 -4.49 107.32 100.63 3kx2 s GLY 337 Ca 0.63 -0.09 -0.16 0.00 0.00 0.00 0.00 44.72 45.10 3kx2 s GLY 337 CO 0.57 0.42 1.20 -4.14 0.00 0.00 0.00 173.10 171.14 3kx2 s PRO 338 N -4.92 2.50 -0.21 2.90 0.02 -1.26 -4.78 135.00 129.26 3kx2 s PRO 338 Ca 0.64 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 63.37 3kx2 s PRO 338 Cb -0.18 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.52 3kx2 s PRO 338 CO 0.57 -1.55 0.03 -1.17 -0.33 0.00 0.00 177.00 174.55 3kx2 s LEU 339 N -4.76 1.37 0.30 -5.54 2.96 -1.26 -1.63 118.68 110.12 3kx2 s LEU 339 Ca 0.74 -0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 3kx2 s LEU 339 Cb -0.28 -0.66 -0.08 0.00 0.50 0.00 0.00 46.19 45.67 3kx2 s LEU 339 CO 0.41 -0.31 0.65 -0.94 -1.32 0.00 0.00 176.35 174.84 3kx2 s SER 340 N 1.80 6.65 -0.03 3.68 1.04 -0.50 -4.90 113.70 121.44 3kx2 s SER 340 Ca -0.01 1.06 -0.00 0.00 0.48 0.00 0.00 55.95 57.49 3kx2 s SER 340 Cb -0.17 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.69 3kx2 s SER 340 CO -0.09 -0.18 0.02 -0.69 0.98 0.00 0.00 173.24 173.28 3kx2 s VAL 341 N -1.99 0.02 -0.02 5.02 1.01 -1.26 -0.68 120.40 122.50 3kx2 s VAL 341 Ca 0.50 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3kx2 s VAL 341 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 3kx2 s VAL 341 CO 0.22 0.12 -0.09 -0.31 0.00 0.00 0.00 175.10 175.04 3kx2 s TYR 342 N 1.15 0.87 0.42 5.22 2.02 -0.28 -4.99 117.35 121.76 3kx2 s TYR 342 Ca -0.08 -0.19 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 3kx2 s TYR 342 Cb -0.13 -0.59 -0.08 0.00 -0.40 0.00 0.00 41.96 40.75 3kx2 s TYR 342 CO -0.03 -0.05 0.86 -1.25 -1.57 0.00 0.00 175.55 173.51 3kx2 s PRO 343 N -0.01 3.97 -0.08 -1.71 0.04 -1.26 -0.51 135.00 135.43 3kx2 s PRO 343 Ca 0.00 0.78 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 3kx2 s PRO 343 Cb -0.06 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.24 3kx2 s PRO 343 CO -0.00 -0.05 0.16 -1.17 0.04 0.00 0.00 177.00 175.98 3kx2 s LEU 344 N -3.57 -0.03 0.21 -3.56 2.96 -0.16 -4.84 118.68 109.68 3kx2 s LEU 344 Ca 0.56 0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 54.58 3kx2 s LEU 344 Cb -0.10 0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.93 3kx2 s LEU 344 CO 0.24 -0.24 0.78 -0.72 -1.32 0.00 0.00 176.35 175.09 3kx2 s TYR 345 N 2.23 -0.24 0.46 5.38 -0.85 -1.26 -2.12 117.35 120.95 3kx2 s TYR 345 Ca 0.02 -0.12 0.26 0.00 -0.52 0.00 0.00 57.07 56.71 3kx2 s TYR 345 Cb -0.12 0.66 1.30 0.00 0.38 0.00 0.00 41.96 44.17 3kx2 s TYR 345 CO -0.06 -1.02 1.78 0.78 -1.52 0.00 0.00 175.55 175.50 3kx2 h GLY 346 N 2.00 0.76 -1.73 5.49 0.00 -2.01 -2.26 103.07 105.33 3kx2 h GLY 346 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kx2 h GLY 346 CO 0.26 -0.10 0.00 -1.14 0.00 0.00 0.00 176.54 175.56 3kx2 n SER 347 N -4.46 2.80 -4.70 0.19 3.41 -1.26 -4.64 113.62 104.95 3kx2 n SER 347 Ca 0.26 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.54 3kx2 n SER 347 Cb 1.05 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.98 3kx2 n SER 347 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kx2 n LEU 348 N 1.21 3.62 -4.72 1.04 4.77 -0.85 -4.96 117.00 117.11 3kx2 n LEU 348 Ca 0.13 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.90 3kx2 n LEU 348 Cb 0.54 -1.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.23 3kx2 n LEU 348 CO 0.13 -0.22 0.80 -2.84 -1.33 0.00 0.00 177.39 173.93 3kx2 s PRO 349 N -0.40 2.10 0.20 3.23 0.02 -1.26 -4.74 135.00 134.16 3kx2 s PRO 349 Ca 0.67 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 63.36 3kx2 s PRO 349 Cb -0.59 -1.83 0.24 0.00 0.02 0.00 0.00 34.50 32.35 3kx2 s PRO 349 CO 0.49 -1.87 1.77 -1.35 -0.33 0.00 0.00 177.00 175.72 3kx2 h PRO 350 N -0.32 0.51 -0.04 5.54 0.11 -1.99 -1.38 132.00 134.42 3kx2 h PRO 350 Ca -0.48 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3kx2 h PRO 350 Cb 1.30 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3kx2 h PRO 350 CO 0.49 0.34 -0.34 1.12 -0.21 0.00 0.00 178.00 179.40 3kx2 h HIS 351 N 0.53 -0.95 -0.61 0.65 2.07 -2.00 -1.38 115.15 113.46 3kx2 h HIS 351 Ca 0.29 0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.80 3kx2 h HIS 351 Cb 0.27 0.43 -0.03 0.00 2.57 0.00 0.00 27.41 30.65 3kx2 h HIS 351 CO -0.12 -0.43 0.19 1.96 -3.07 0.00 0.00 177.93 176.46 3kx2 h GLN 352 N -0.47 0.92 -0.57 5.12 4.20 -1.69 0.12 115.11 122.74 3kx2 h GLN 352 Ca 0.07 -0.17 0.11 0.00 0.06 0.00 0.00 58.65 58.72 3kx2 h GLN 352 Cb 0.58 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.12 3kx2 h GLN 352 CO -0.31 0.79 0.01 1.96 -0.67 0.00 0.00 178.83 180.61 3kx2 h GLN 353 N 0.89 0.12 0.00 1.46 4.20 -0.54 -1.44 115.11 119.79 3kx2 h GLN 353 Ca 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3kx2 h GLN 353 Cb 0.25 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kx2 h GLN 353 CO -0.01 0.08 -0.01 0.37 -0.67 0.00 0.00 178.83 178.59 3kx2 h GLN 354 N 0.12 0.00 0.00 1.46 5.75 0.10 -2.32 115.11 120.22 3kx2 h GLN 354 Ca 0.29 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.75 3kx2 h GLN 354 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3kx2 h GLN 354 CO -0.48 0.01 -0.21 0.00 -2.65 0.00 0.00 178.83 175.50 3kx2 h ARG 355 N 0.00 0.00 0.00 1.69 3.08 -1.11 -2.80 114.38 115.24 3kx2 h ARG 355 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kx2 h ARG 355 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kx2 h ARG 355 CO 0.00 0.21 0.00 -0.84 -1.07 0.00 0.00 179.97 178.28 3kx2 h ILE 356 N 0.00 0.00 -0.08 2.04 3.07 -1.54 -2.22 117.51 118.78 3kx2 h ILE 356 Ca -0.00 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.21 3kx2 h ILE 356 Cb 0.49 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3kx2 h ILE 356 CO 0.03 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.62 3kx2 n PHE 357 N -2.93 0.08 -2.17 0.16 3.72 -1.06 -4.94 117.46 110.33 3kx2 n PHE 357 Ca -0.01 -0.04 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 3kx2 n PHE 357 Cb 0.16 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3kx2 n PHE 357 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kx2 s GLU 358 N -1.92 4.07 0.49 -1.08 2.02 -0.84 -4.98 118.70 116.47 3kx2 s GLU 358 Ca 0.35 2.03 -0.24 0.00 0.02 0.00 0.00 54.97 57.14 3kx2 s GLU 358 Cb 0.20 -2.78 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 3kx2 s GLU 358 CO 0.31 -0.36 1.36 -2.30 0.02 0.00 0.00 175.26 174.29 3kx2 n PRO 359 N 0.23 1.94 -1.67 0.39 -0.02 -1.26 -4.95 135.00 129.66 3kx2 n PRO 359 Ca 0.03 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 3kx2 n PRO 359 Cb 0.44 -2.56 0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3kx2 n PRO 359 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kx2 n ALA 360 N -0.59 0.75 -1.76 3.55 0.00 -1.26 -4.93 120.51 116.27 3kx2 n ALA 360 Ca 0.08 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 3kx2 n ALA 360 Cb 0.43 -2.22 0.01 0.00 0.00 0.00 0.00 19.45 17.66 3kx2 n ALA 360 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kx2 s PRO 361 N -2.85 3.70 0.25 0.00 0.04 -1.26 -4.87 135.00 130.01 3kx2 s PRO 361 Ca 0.75 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 3kx2 s PRO 361 Cb -0.42 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.50 3kx2 s PRO 361 CO 0.47 -0.69 1.07 -1.21 0.04 0.00 0.00 177.00 176.68 3kx2 s GLU 362 N -2.54 4.67 0.03 4.56 8.01 -1.26 -4.11 118.70 128.06 3kx2 s GLU 362 Ca 0.62 1.73 -0.20 0.00 0.01 0.00 0.00 54.97 57.14 3kx2 s GLU 362 Cb -0.36 -3.22 -0.06 0.00 -4.31 0.00 0.00 34.13 26.18 3kx2 s GLU 362 CO 0.45 0.24 0.59 0.45 0.01 0.00 0.00 175.26 177.00 3kx2 s SER 363 N -0.79 7.03 -0.53 -0.19 0.15 -1.26 -4.82 113.70 113.29 3kx2 s SER 363 Ca 0.45 1.22 0.03 0.00 0.70 0.00 0.00 55.95 58.35 3kx2 s SER 363 Cb -0.30 -2.37 0.42 0.00 -1.71 0.00 0.00 66.02 62.06 3kx2 s SER 363 CO 0.38 0.18 1.50 1.41 1.20 0.00 0.00 173.24 177.91 3kx2 n HIS 364 N 2.28 3.10 0.00 3.44 8.25 -1.26 -4.61 115.22 126.42 3kx2 n HIS 364 Ca -0.08 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.70 3kx2 n HIS 364 Cb 0.51 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.97 3kx2 n HIS 364 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3kx2 n ASN 365 N -0.64 0.58 0.00 0.41 2.85 -1.26 -5.02 115.26 112.17 3kx2 n ASN 365 Ca 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 3kx2 n ASN 365 Cb 0.66 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.75 3kx2 n ASN 365 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kx2 n GLY 366 N 0.65 2.57 3.75 8.20 0.00 -1.26 -5.05 105.19 114.06 3kx2 n GLY 366 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kx2 n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kx2 s ARG 367 N -0.70 2.96 0.28 1.61 0.52 -1.26 -5.07 118.95 117.29 3kx2 s ARG 367 Ca 0.00 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 3kx2 s ARG 367 Cb 0.00 -2.79 -0.11 0.00 0.52 0.00 0.00 34.95 32.57 3kx2 s ARG 367 CO 0.00 0.63 1.57 -2.14 0.02 0.00 0.00 175.30 175.38 3kx2 s PRO 368 N -1.73 4.15 0.71 3.54 0.02 -1.26 -4.00 135.00 136.43 3kx2 s PRO 368 Ca 0.22 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 3kx2 s PRO 368 Cb -0.12 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.37 3kx2 s PRO 368 CO 0.13 -0.59 1.07 0.20 -0.33 0.00 0.00 177.00 177.48 3kx2 s GLY 369 N 0.50 1.65 -0.16 0.52 0.00 -1.26 -3.58 107.32 104.99 3kx2 s GLY 369 Ca 0.63 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 45.01 3kx2 s GLY 369 CO 0.46 0.29 0.91 -1.60 0.00 0.00 0.00 173.10 173.16 3kx2 s ARG 370 N -5.12 0.71 -0.02 2.90 3.52 -0.65 -4.79 118.95 115.50 3kx2 s ARG 370 Ca 0.58 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.51 3kx2 s ARG 370 Cb -0.13 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 3kx2 s ARG 370 CO 0.54 -0.19 -0.00 0.21 -0.81 0.00 0.00 175.30 175.05 3kx2 s LYS 371 N -0.77 2.81 -0.14 5.12 2.20 -1.26 -1.41 119.74 126.29 3kx2 s LYS 371 Ca -0.03 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 3kx2 s LYS 371 Cb -0.02 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 3kx2 s LYS 371 CO 0.02 0.64 -0.21 0.08 -0.36 0.00 0.00 175.35 175.52 3kx2 s VAL 372 N -1.03 2.01 -0.21 4.02 1.01 0.14 -0.80 120.40 125.53 3kx2 s VAL 372 Ca 0.18 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3kx2 s VAL 372 Cb -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3kx2 s VAL 372 CO 0.08 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.09 3kx2 s VAL 373 N 0.91 4.48 -0.39 2.92 1.01 0.20 -1.13 120.40 128.40 3kx2 s VAL 373 Ca -0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3kx2 s VAL 373 Cb -0.15 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.24 3kx2 s VAL 373 CO -0.04 0.40 0.20 -0.63 0.00 0.00 0.00 175.10 175.03 3kx2 s ILE 374 N 1.00 4.05 0.11 2.22 1.01 0.33 -0.95 121.20 128.97 3kx2 s ILE 374 Ca 0.04 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.45 3kx2 s ILE 374 Cb -0.14 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3kx2 s ILE 374 CO 0.03 -0.38 -0.17 -0.55 0.00 0.00 0.00 174.94 173.86 3kx2 s SER 375 N 1.80 2.22 1.09 3.58 0.15 0.78 -0.99 113.70 122.33 3kx2 s SER 375 Ca 0.02 -0.72 -0.15 0.00 0.70 0.00 0.00 55.95 55.79 3kx2 s SER 375 Cb -0.21 -0.10 0.22 0.00 -1.71 0.00 0.00 66.02 64.21 3kx2 s SER 375 CO 0.02 -0.04 1.03 1.07 1.20 0.00 0.00 173.24 176.53 3kx2 n THR 376 N 0.88 0.00 0.84 6.45 5.66 -0.90 0.35 114.28 127.56 3kx2 n THR 376 Ca -0.18 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.17 3kx2 n THR 376 Cb 0.55 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 3kx2 n THR 376 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3kx2 n ASN 377 N -4.06 0.06 -0.29 1.09 0.23 -1.26 -2.48 115.26 108.54 3kx2 n ASN 377 Ca 0.13 -0.89 0.09 0.00 -0.53 0.00 0.00 54.58 53.38 3kx2 n ASN 377 Cb 0.49 -0.03 0.31 0.00 -2.08 0.00 0.00 39.78 38.47 3kx2 n ASN 377 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3kx2 h ILE 378 N 0.00 0.91 -0.16 1.53 2.04 -1.93 -2.10 117.51 117.81 3kx2 h ILE 378 Ca 0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3kx2 h ILE 378 Cb 0.03 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3kx2 h ILE 378 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3kx2 n ALA 379 N -2.40 2.50 0.06 1.87 0.00 -1.03 -2.49 120.51 119.01 3kx2 n ALA 379 Ca 0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 3kx2 n ALA 379 Cb 0.37 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3kx2 n ALA 379 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kx2 h GLU 380 N 1.10 -0.23 0.00 0.00 4.81 -1.61 -3.44 114.58 115.21 3kx2 h GLU 380 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kx2 h GLU 380 Cb 0.25 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kx2 h GLU 380 CO 0.00 0.13 0.00 0.25 -0.73 0.00 0.00 179.01 178.66 3kx2 n THR 381 N -4.93 0.00 0.16 0.32 -2.24 -1.26 -4.62 114.28 101.71 3kx2 n THR 381 Ca -0.07 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3kx2 n THR 381 Cb 0.24 1.02 0.14 0.00 -2.10 0.00 0.00 70.33 69.63 3kx2 n THR 381 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kx2 h SER 382 N 0.00 0.00 -5.01 3.42 0.02 -1.77 -3.45 113.55 106.75 3kx2 h SER 382 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3kx2 h SER 382 Cb 0.01 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3kx2 h SER 382 CO 0.00 0.47 0.21 -1.48 -1.14 0.00 0.00 176.83 174.89 3kx2 s LEU 383 N -6.67 -0.25 0.01 5.07 0.05 -1.25 -4.86 118.68 110.79 3kx2 s LEU 383 Ca 0.02 -0.59 0.03 0.00 0.05 0.00 0.00 54.13 53.65 3kx2 s LEU 383 Cb 0.09 2.67 -0.01 0.00 -2.05 0.00 0.00 46.19 46.89 3kx2 s LEU 383 CO 0.72 -1.31 -0.10 0.42 -0.55 0.00 0.00 176.35 175.52 3kx2 s THR 384 N -3.91 0.82 -0.35 5.48 -4.23 -1.26 -4.78 115.64 107.40 3kx2 s THR 384 Ca 0.11 -0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 59.85 3kx2 s THR 384 Cb -0.05 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 73.08 3kx2 s THR 384 CO 0.06 0.06 0.17 -0.63 -0.54 0.00 0.00 174.62 173.74 3kx2 s ILE 385 N -0.58 4.39 0.29 2.99 1.01 -1.26 -5.07 121.20 122.98 3kx2 s ILE 385 Ca 0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3kx2 s ILE 385 Cb -0.06 -3.42 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 3kx2 s ILE 385 CO 0.00 -0.16 1.52 0.47 0.00 0.00 0.00 174.94 176.77 3kx2 n ASP 386 N 4.95 3.49 0.00 3.58 8.00 -1.26 -3.35 116.55 131.96 3kx2 n ASP 386 Ca -0.12 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.53 3kx2 n ASP 386 Cb 0.46 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 3kx2 n ASP 386 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kx2 n GLY 387 N 1.91 0.49 3.73 0.44 0.00 -1.26 -5.02 105.19 105.49 3kx2 n GLY 387 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3kx2 n GLY 387 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx2 s ILE 388 N -2.00 2.47 0.00 -0.61 -1.09 -1.21 -1.35 121.20 117.40 3kx2 s ILE 388 Ca 0.00 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 3kx2 s ILE 388 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3kx2 s ILE 388 CO 0.00 0.05 0.00 0.52 -1.23 0.00 0.00 174.94 174.28 3kx2 n VAL 389 N 3.00 0.00 -4.55 2.92 0.31 -0.30 -4.58 118.33 115.14 3kx2 n VAL 389 Ca 0.10 -0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.13 3kx2 n VAL 389 Cb 0.39 0.40 -0.17 0.00 -0.91 0.00 0.00 33.84 33.55 3kx2 n VAL 389 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3kx2 s TYR 390 N -0.70 1.52 -0.06 3.52 2.02 -0.75 -1.39 117.35 121.51 3kx2 s TYR 390 Ca 0.00 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 3kx2 s TYR 390 Cb 0.00 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 3kx2 s TYR 390 CO 0.00 -0.31 -0.15 0.08 -1.57 0.00 0.00 175.55 173.60 3kx2 s VAL 391 N 0.75 3.00 -0.20 0.71 1.01 -0.39 -0.26 120.40 125.01 3kx2 s VAL 391 Ca -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3kx2 s VAL 391 Cb -0.16 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 3kx2 s VAL 391 CO 0.03 0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 3kx2 s VAL 392 N -0.55 3.08 -0.40 2.92 1.01 0.04 -0.30 120.40 126.21 3kx2 s VAL 392 Ca 0.08 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3kx2 s VAL 392 Cb -0.11 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 34.01 3kx2 s VAL 392 CO 0.01 0.46 0.12 -0.62 0.00 0.00 0.00 175.10 175.08 3kx2 s ASP 393 N 1.26 4.56 0.52 3.32 2.15 0.85 -2.25 116.67 127.09 3kx2 s ASP 393 Ca 0.03 -2.41 0.29 0.00 0.43 0.00 0.00 52.55 50.89 3kx2 s ASP 393 Cb -0.14 -1.58 1.42 0.00 -0.30 0.00 0.00 42.92 42.32 3kx2 s ASP 393 CO -0.04 -0.33 2.04 -0.65 -0.17 0.00 0.00 175.17 176.02 3kx2 h PRO 394 N 7.27 0.00 0.00 4.34 0.11 -1.82 0.13 132.00 142.03 3kx2 h PRO 394 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kx2 h PRO 394 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kx2 h PRO 394 CO 0.57 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 3kx2 n GLY 395 N -0.49 0.81 3.22 -0.55 0.00 -1.26 -4.58 105.19 102.34 3kx2 n GLY 395 Ca -0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3kx2 n GLY 395 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kx2 s PHE 396 N -2.00 1.33 0.16 1.61 0.08 -1.26 -0.81 117.98 117.08 3kx2 s PHE 396 Ca 0.00 -0.54 -0.14 0.00 0.12 0.00 0.00 56.93 56.36 3kx2 s PHE 396 Cb 0.00 -0.71 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 3kx2 s PHE 396 CO 0.00 0.11 0.40 -1.54 -0.10 0.00 0.00 175.22 174.09 3kx2 s SER 397 N -2.28 -0.15 -0.29 1.36 1.04 -0.41 -4.74 113.70 108.23 3kx2 s SER 397 Ca 0.06 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 3kx2 s SER 397 Cb -0.06 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3kx2 s SER 397 CO 0.03 -0.92 0.84 -0.75 0.98 0.00 0.00 173.24 173.42 3kx2 s LYS 398 N -3.87 4.03 -0.02 4.02 2.20 -1.26 -1.00 119.74 123.84 3kx2 s LYS 398 Ca 0.08 0.74 0.06 0.00 -0.36 0.00 0.00 55.97 56.50 3kx2 s LYS 398 Cb 0.01 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 3kx2 s LYS 398 CO -0.06 -0.68 -0.20 -0.65 -0.36 0.00 0.00 175.35 173.40 3kx2 s GLN 399 N 3.04 1.66 0.14 4.03 -0.21 0.55 -4.92 119.66 123.95 3kx2 s GLN 399 Ca 0.35 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 3kx2 s GLN 399 Cb -0.14 -1.60 -0.07 0.00 1.00 0.00 0.00 33.01 32.20 3kx2 s GLN 399 CO 0.12 0.43 1.21 0.21 -2.12 0.00 0.00 175.29 175.14 3kx2 s LYS 400 N -0.46 4.46 0.00 2.91 2.20 -1.26 -1.53 119.74 126.07 3kx2 s LYS 400 Ca 0.07 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.58 3kx2 s LYS 400 Cb -0.08 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3kx2 s LYS 400 CO -0.01 -0.16 -0.15 0.08 -0.36 0.00 0.00 175.35 174.75 3kx2 s VAL 401 N 0.38 1.15 0.08 4.02 1.01 -0.25 -4.96 120.40 121.82 3kx2 s VAL 401 Ca 0.55 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.89 3kx2 s VAL 401 Cb -0.32 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3kx2 s VAL 401 CO 0.34 0.24 -0.25 -0.47 0.00 0.00 0.00 175.10 174.96 3kx2 s TYR 402 N -0.49 2.37 -0.28 5.22 5.04 -1.25 -1.21 117.35 126.76 3kx2 s TYR 402 Ca 0.05 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 3kx2 s TYR 402 Cb -0.06 -1.35 0.08 0.00 0.35 0.00 0.00 41.96 40.97 3kx2 s TYR 402 CO 0.00 0.23 -0.01 1.21 -1.34 0.00 0.00 175.55 175.64 3kx2 s ASN 403 N -1.60 4.22 0.36 4.32 3.04 -0.58 -4.98 114.94 119.72 3kx2 s ASN 403 Ca 0.13 -1.55 0.07 0.00 0.04 0.00 0.00 52.86 51.56 3kx2 s ASN 403 Cb -0.10 -1.31 0.68 0.00 -1.54 0.00 0.00 41.25 38.98 3kx2 s ASN 403 CO 0.04 -0.30 1.87 -0.65 -3.04 0.00 0.00 177.10 175.03 3kx2 h PRO 404 N 7.85 0.33 0.00 0.43 0.11 -1.96 1.34 132.00 140.11 3kx2 h PRO 404 Ca -0.14 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 3kx2 h PRO 404 Cb 1.04 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3kx2 h PRO 404 CO 0.46 0.47 -0.42 0.00 -0.21 0.00 0.00 178.00 178.30 3kx2 h ARG 405 N 0.31 0.00 0.00 1.05 3.08 -1.98 -3.19 114.38 113.64 3kx2 h ARG 405 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kx2 h ARG 405 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3kx2 h ARG 405 CO 0.02 0.42 -0.42 1.51 -1.07 0.00 0.00 179.97 180.43 3kx2 n ILE 406 N -3.30 0.00 -3.14 2.04 3.06 -1.11 -5.05 119.36 111.85 3kx2 n ILE 406 Ca 0.01 -0.31 -0.12 0.00 -2.50 0.00 0.00 62.75 59.83 3kx2 n ILE 406 Cb 0.64 0.97 0.06 0.00 0.54 0.00 0.00 39.64 41.84 3kx2 n ILE 406 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3kx2 n ARG 407 N -1.22 -2.02 -3.64 9.51 0.63 0.46 -5.02 116.66 115.36 3kx2 n ARG 407 Ca 0.01 0.92 -0.12 0.00 -0.92 0.00 0.00 57.85 57.74 3kx2 n ARG 407 Cb 0.13 -5.63 -0.07 0.00 0.45 0.00 0.00 32.46 27.33 3kx2 n ARG 407 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kx2 s VAL 408 N -3.32 -0.00 0.67 5.15 0.11 -0.96 -4.98 120.40 117.08 3kx2 s VAL 408 Ca 0.37 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 3kx2 s VAL 408 Cb -0.05 -0.97 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3kx2 s VAL 408 CO 0.71 0.00 1.06 -1.61 -3.33 0.00 0.00 175.10 171.93 3kx2 s GLU 409 N 0.71 3.06 -0.28 1.54 2.02 -1.26 -1.53 118.70 122.96 3kx2 s GLU 409 Ca -0.03 0.50 -0.24 0.00 0.02 0.00 0.00 54.97 55.22 3kx2 s GLU 409 Cb -0.05 -2.06 0.12 0.00 0.10 0.00 0.00 34.13 32.24 3kx2 s GLU 409 CO -0.05 -0.88 0.97 -1.54 0.02 0.00 0.00 175.26 173.79 3kx2 s SER 410 N -4.31 -0.51 -0.32 -0.19 1.04 -0.35 -4.85 113.70 104.22 3kx2 s SER 410 Ca 0.57 0.96 -0.21 0.00 0.48 0.00 0.00 55.95 57.74 3kx2 s SER 410 Cb -0.11 1.01 -0.00 0.00 0.10 0.00 0.00 66.02 67.01 3kx2 s SER 410 CO 0.52 -0.16 0.69 -0.76 0.98 0.00 0.00 173.24 174.50 3kx2 s LEU 411 N 0.41 4.14 0.06 2.42 1.43 -1.26 -1.10 118.68 124.78 3kx2 s LEU 411 Ca 0.01 0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 3kx2 s LEU 411 Cb -0.05 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3kx2 s LEU 411 CO -0.07 -0.55 -0.24 -0.76 0.23 0.00 0.00 176.35 174.96 3kx2 s LEU 412 N 2.76 2.19 -0.24 1.79 1.02 -0.58 -4.91 118.68 120.70 3kx2 s LEU 412 Ca 0.28 -0.59 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 3kx2 s LEU 412 Cb -0.14 -1.16 0.00 0.00 0.02 0.00 0.00 46.19 44.91 3kx2 s LEU 412 CO 0.13 0.21 1.15 -0.69 0.02 0.00 0.00 176.35 177.16 3kx2 s VAL 413 N -0.84 4.45 0.04 -1.59 1.01 -1.26 -0.33 120.40 121.88 3kx2 s VAL 413 Ca 0.10 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 3kx2 s VAL 413 Cb -0.10 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3kx2 s VAL 413 CO 0.02 -0.28 -0.02 -0.44 0.00 0.00 0.00 175.10 174.39 3kx2 s SER 414 N 1.74 0.41 0.35 3.32 0.01 -0.17 -4.94 113.70 114.42 3kx2 s SER 414 Ca 0.49 -0.86 -0.28 0.00 1.31 0.00 0.00 55.95 56.61 3kx2 s SER 414 Cb -0.16 0.19 -0.12 0.00 0.21 0.00 0.00 66.02 66.13 3kx2 s SER 414 CO 0.13 -0.54 1.35 -2.65 0.41 0.00 0.00 173.24 171.94 3kx2 n PRO 415 N 0.45 2.30 -1.94 12.44 -0.02 -1.26 -1.28 135.00 145.68 3kx2 n PRO 415 Ca -0.16 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 3kx2 n PRO 415 Cb 0.60 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 3kx2 n PRO 415 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3kx2 s ILE 416 N -1.10 2.65 0.73 4.25 -4.36 0.01 -4.80 121.20 118.58 3kx2 s ILE 416 Ca 0.55 0.16 -0.11 0.00 -0.26 0.00 0.00 60.65 60.98 3kx2 s ILE 416 Cb -0.54 -3.20 0.03 0.00 1.25 0.00 0.00 42.46 40.00 3kx2 s ILE 416 CO 0.63 -0.26 1.09 -0.94 0.24 0.00 0.00 174.94 175.70 3kx2 s SER 417 N -4.48 5.16 0.17 4.36 1.04 -1.26 -4.47 113.70 114.22 3kx2 s SER 417 Ca 0.60 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 3kx2 s SER 417 Cb -0.11 -2.08 0.07 0.00 0.10 0.00 0.00 66.02 64.00 3kx2 s SER 417 CO 0.49 -1.54 1.69 0.50 0.98 0.00 0.00 173.24 175.37 3kx2 h LYS 418 N -0.79 0.92 -0.73 4.02 3.64 -0.73 -0.84 116.57 122.06 3kx2 h LYS 418 Ca -0.45 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 58.78 3kx2 h LYS 418 Cb 1.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 3kx2 h LYS 418 CO 0.61 0.83 0.42 0.00 -2.27 0.00 0.00 179.45 179.04 3kx2 h ALA 419 N 1.05 0.98 -0.61 5.00 0.00 -1.69 0.62 119.26 124.61 3kx2 h ALA 419 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kx2 h ALA 419 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kx2 h ALA 419 CO -0.00 0.11 0.32 0.77 0.00 0.00 0.00 179.25 180.44 3kx2 h SER 420 N 0.76 0.78 -0.87 0.00 0.02 -1.73 -0.60 113.55 111.91 3kx2 h SER 420 Ca 0.32 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3kx2 h SER 420 Cb 0.20 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3kx2 h SER 420 CO -0.18 0.67 0.57 0.00 -1.14 0.00 0.00 176.83 176.75 3kx2 h ALA 421 N 1.14 1.12 -0.46 3.77 0.00 -0.21 -0.13 119.26 124.50 3kx2 h ALA 421 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kx2 h ALA 421 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kx2 h ALA 421 CO -0.03 0.47 0.25 1.96 0.00 0.00 0.00 179.25 181.90 3kx2 h GLN 422 N 1.15 0.65 -0.57 0.00 4.20 -0.47 -2.23 115.11 117.85 3kx2 h GLN 422 Ca 0.33 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3kx2 h GLN 422 Cb -0.09 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 3kx2 h GLN 422 CO -0.08 0.52 0.27 1.96 -0.67 0.00 0.00 178.83 180.83 3kx2 h GLN 423 N 0.61 0.82 -0.49 1.46 1.08 -0.39 -1.55 115.11 116.65 3kx2 h GLN 423 Ca 0.16 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 3kx2 h GLN 423 Cb 0.07 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3kx2 h GLN 423 CO -0.02 0.67 0.27 0.00 -0.95 0.00 0.00 178.83 178.79 3kx2 h ARG 424 N 0.77 0.52 -0.61 1.46 3.08 -0.92 -2.49 114.38 116.19 3kx2 h ARG 424 Ca 0.19 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3kx2 h ARG 424 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3kx2 h ARG 424 CO -0.02 0.34 0.10 0.00 -1.07 0.00 0.00 179.97 179.32 3kx2 h ALA 425 N 1.24 1.01 -0.62 0.04 0.00 -1.17 -2.57 119.26 117.20 3kx2 h ALA 425 Ca 0.20 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.97 3kx2 h ALA 425 Cb 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kx2 h ALA 425 CO -0.12 0.63 0.42 0.78 0.00 0.00 0.00 179.25 180.96 3kx2 h GLY 426 N 1.03 0.57 2.00 0.00 0.00 -0.83 -1.77 103.07 104.07 3kx2 h GLY 426 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3kx2 h GLY 426 CO 0.01 0.09 -0.00 3.21 0.00 0.00 0.00 176.54 179.85 3kx2 h ARG 427 N 0.38 0.00 0.00 4.80 2.47 -1.23 -1.31 114.38 119.49 3kx2 h ARG 427 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3kx2 h ARG 427 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3kx2 h ARG 427 CO -0.08 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.45 3kx2 n ALA 428 N -2.14 2.19 -1.03 0.04 0.00 -0.66 -3.93 120.51 114.97 3kx2 n ALA 428 Ca -0.03 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.44 3kx2 n ALA 428 Cb 0.08 -1.43 0.23 0.00 0.00 0.00 0.00 19.45 18.33 3kx2 n ALA 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx2 n GLY 429 N 1.15 4.25 0.19 0.00 0.00 -0.49 -3.73 105.19 106.57 3kx2 n GLY 429 Ca 0.06 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3kx2 n GLY 429 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kx2 h ARG 430 N 1.39 0.59 0.00 1.61 2.43 -1.70 0.24 114.38 118.94 3kx2 h ARG 430 Ca 0.01 -0.54 -0.29 0.00 -0.81 0.00 0.00 59.98 58.35 3kx2 h ARG 430 Cb 1.36 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.99 3kx2 h ARG 430 CO 0.18 1.16 -2.10 0.25 -1.51 0.00 0.00 179.97 177.96 3kx2 n THR 431 N -3.85 1.10 -3.84 0.20 -2.24 -1.26 -4.80 114.28 99.59 3kx2 n THR 431 Ca -0.07 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.12 3kx2 n THR 431 Cb 0.78 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 3kx2 n THR 431 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx2 s ARG 432 N -2.39 1.79 0.08 -0.78 1.70 -1.26 -5.03 118.95 113.06 3kx2 s ARG 432 Ca -0.19 -1.03 -0.35 0.00 -0.47 0.00 0.00 55.73 53.68 3kx2 s ARG 432 Cb 0.06 0.58 -0.15 0.00 -0.57 0.00 0.00 34.95 34.87 3kx2 s ARG 432 CO 0.52 -0.82 1.54 -2.30 -1.08 0.00 0.00 175.30 173.16 3kx2 n PRO 433 N -0.48 1.75 -2.36 3.89 -0.02 -1.26 -4.39 135.00 132.12 3kx2 n PRO 433 Ca -0.05 0.63 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3kx2 n PRO 433 Cb 0.59 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3kx2 n PRO 433 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx2 n GLY 434 N 3.27 4.04 2.97 -1.23 0.00 -0.67 -5.00 105.19 108.58 3kx2 n GLY 434 Ca 0.19 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3kx2 n GLY 434 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx2 s LYS 435 N -2.24 0.34 -0.10 1.61 1.02 -0.48 -0.88 119.74 119.00 3kx2 s LYS 435 Ca 0.02 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.62 3kx2 s LYS 435 Cb 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 37.83 37.14 3kx2 s LYS 435 CO 0.01 0.04 -0.10 0.00 -0.92 0.00 0.00 175.35 174.38 3kx2 s PHE 437 N 1.26 3.27 -0.21 0.00 0.08 0.60 -0.67 117.98 122.31 3kx2 s PHE 437 Ca -0.03 -1.08 -0.16 0.00 0.12 0.00 0.00 56.93 55.78 3kx2 s PHE 437 Cb -0.14 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 3kx2 s PHE 437 CO -0.04 -0.77 0.39 1.03 -0.10 0.00 0.00 175.22 175.73 3kx2 s ARG 438 N 1.57 4.16 -0.21 0.44 0.52 0.49 -0.11 118.95 125.81 3kx2 s ARG 438 Ca 0.03 0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.40 3kx2 s ARG 438 Cb -0.23 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 3kx2 s ARG 438 CO 0.06 -0.06 2.73 1.28 0.02 0.00 0.00 175.30 179.33 3kx2 n LEU 439 N 4.55 5.91 -3.85 2.53 4.77 0.03 -3.05 117.00 127.90 3kx2 n LEU 439 Ca -0.08 -3.35 -0.08 0.00 -0.03 0.00 0.00 56.01 52.46 3kx2 n LEU 439 Cb 0.51 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.36 3kx2 n LEU 439 CO 0.40 1.49 0.47 -0.72 -1.33 0.00 0.00 177.39 177.70 3kx2 s TYR 440 N -0.64 0.03 0.44 -1.77 1.13 -1.26 -4.52 117.35 110.76 3kx2 s TYR 440 Ca 0.45 -0.58 -0.12 0.00 -1.41 0.00 0.00 57.07 55.41 3kx2 s TYR 440 Cb 0.27 0.71 -0.07 0.00 -1.10 0.00 0.00 41.96 41.77 3kx2 s TYR 440 CO -0.07 -1.38 0.83 0.95 -2.51 0.00 0.00 175.55 173.37 3kx2 s THR 441 N -3.15 4.72 0.36 -3.49 -4.23 -1.25 -1.63 115.64 106.97 3kx2 s THR 441 Ca 0.14 0.79 0.04 0.00 -1.18 0.00 0.00 61.69 61.48 3kx2 s THR 441 Cb -0.05 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.33 3kx2 s THR 441 CO 0.10 -0.58 1.99 -0.08 -0.54 0.00 0.00 174.62 175.51 3kx2 h GLU 442 N 1.14 0.78 -0.03 3.99 4.81 -1.94 -1.81 114.58 121.52 3kx2 h GLU 442 Ca -0.47 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3kx2 h GLU 442 Cb 1.19 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3kx2 h GLU 442 CO 0.63 0.51 0.02 1.49 -0.73 0.00 0.00 179.01 180.93 3kx2 h GLU 443 N 0.80 0.04 -0.88 1.92 4.81 -1.95 -1.03 114.58 118.30 3kx2 h GLU 443 Ca 0.26 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.59 3kx2 h GLU 443 Cb 0.05 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 3kx2 h GLU 443 CO -0.07 0.09 0.52 0.00 -0.73 0.00 0.00 179.01 178.82 3kx2 h ALA 444 N 0.95 1.28 -0.54 2.92 0.00 -1.80 0.34 119.26 122.40 3kx2 h ALA 444 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3kx2 h ALA 444 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kx2 h ALA 444 CO -0.00 0.15 -0.02 0.35 0.00 0.00 0.00 179.25 179.72 3kx2 h PHE 445 N 0.86 1.03 0.01 0.00 3.57 -1.04 -0.29 116.94 121.07 3kx2 h PHE 445 Ca 0.43 -0.17 -0.23 0.00 3.53 0.00 0.00 57.97 61.52 3kx2 h PHE 445 Cb 0.39 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3kx2 h PHE 445 CO -0.04 0.94 -1.15 1.96 -2.23 0.00 0.00 178.31 177.78 3kx2 h GLN 446 N 0.87 0.01 0.00 1.11 1.08 0.17 -3.40 115.11 114.95 3kx2 h GLN 446 Ca 0.16 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3kx2 h GLN 446 Cb 0.54 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3kx2 h GLN 446 CO 0.03 0.91 -0.88 1.63 -0.95 0.00 0.00 178.83 179.57 3kx2 n LYS 447 N -3.30 3.03 -0.09 1.46 5.02 0.10 -4.89 118.16 119.50 3kx2 n LYS 447 Ca -0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 3kx2 n LYS 447 Cb 0.97 -0.94 -0.10 0.00 -0.02 0.00 0.00 35.03 34.94 3kx2 n LYS 447 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kx2 h GLU 448 N 0.00 0.00 -6.68 1.97 5.08 -1.17 -3.47 114.58 110.31 3kx2 h GLU 448 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3kx2 h GLU 448 Cb 0.73 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.04 3kx2 h GLU 448 CO 0.00 0.81 0.99 1.28 -1.00 0.00 0.00 179.01 181.08 3kx2 n LEU 449 N -4.51 4.04 -4.73 1.33 4.77 -0.75 -4.95 117.00 112.20 3kx2 n LEU 449 Ca -0.23 1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 56.46 3kx2 n LEU 449 Cb 0.55 -1.57 0.07 0.00 -2.33 0.00 0.00 43.42 40.14 3kx2 n LEU 449 CO 0.19 0.17 0.90 0.27 -1.33 0.00 0.00 177.39 177.59 3kx2 s ILE 450 N 0.96 2.08 0.06 -0.08 -4.36 -1.26 -4.57 121.20 114.03 3kx2 s ILE 450 Ca 0.73 0.05 -0.28 0.00 -0.26 0.00 0.00 60.65 60.89 3kx2 s ILE 450 Cb -0.51 -3.01 -0.17 0.00 1.25 0.00 0.00 42.46 40.01 3kx2 s ILE 450 CO 0.35 -0.01 1.55 -0.08 0.24 0.00 0.00 174.94 176.99 3kx2 h GLU 451 N 0.56 -0.54 -3.61 0.37 4.57 -1.95 0.12 114.58 114.10 3kx2 h GLU 451 Ca -0.51 0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.52 3kx2 h GLU 451 Cb 1.33 0.12 -0.25 0.00 -0.16 0.00 0.00 28.75 29.80 3kx2 h GLU 451 CO 0.53 -0.31 -0.61 -1.14 -1.18 0.00 0.00 179.01 176.30 3kx2 s GLN 452 N -5.73 0.22 0.52 1.92 2.00 -1.26 -2.29 119.66 115.04 3kx2 s GLN 452 Ca -0.16 -0.13 -0.19 0.00 -2.00 0.00 0.00 55.36 52.89 3kx2 s GLN 452 Cb 0.04 0.09 -0.07 0.00 0.80 0.00 0.00 33.01 33.87 3kx2 s GLN 452 CO 0.61 -0.04 1.04 -1.12 -0.50 0.00 0.00 175.29 175.29 3kx2 s SER 453 N -0.54 6.16 0.39 6.67 0.01 -1.26 -5.02 113.70 120.11 3kx2 s SER 453 Ca -0.06 1.89 -0.24 0.00 1.31 0.00 0.00 55.95 58.84 3kx2 s SER 453 Cb -0.04 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 3kx2 s SER 453 CO 0.00 -0.91 1.06 -0.31 0.41 0.00 0.00 173.24 173.50 3kx2 s TYR 454 N -2.14 3.27 0.43 2.43 1.51 -1.26 -5.01 117.35 116.58 3kx2 s TYR 454 Ca 0.66 1.64 -0.25 0.00 -1.01 0.00 0.00 57.07 58.11 3kx2 s TYR 454 Cb -0.16 -3.15 -0.10 0.00 -0.11 0.00 0.00 41.96 38.44 3kx2 s TYR 454 CO 0.26 -0.67 1.24 -2.30 -1.11 0.00 0.00 175.55 172.97 3kx2 n PRO 455 N 0.01 1.85 -0.26 -1.71 -0.02 -1.26 -4.86 135.00 128.75 3kx2 n PRO 455 Ca 0.05 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.37 3kx2 n PRO 455 Cb 0.49 -2.35 0.49 0.00 -0.02 0.00 0.00 33.50 32.11 3kx2 n PRO 455 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kx2 h GLU 456 N 1.99 0.44 0.00 -0.52 4.81 -1.73 -1.01 114.58 118.57 3kx2 h GLU 456 Ca -0.48 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kx2 h GLU 456 Cb 1.30 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3kx2 h GLU 456 CO 0.59 0.29 -0.00 0.97 -0.73 0.00 0.00 179.01 180.13 3kx2 h ILE 457 N 0.45 0.28 -0.23 2.32 2.10 -1.88 -0.01 117.51 120.55 3kx2 h ILE 457 Ca 0.49 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.41 3kx2 h ILE 457 Cb 1.16 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 3kx2 h ILE 457 CO -0.21 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.05 3kx2 n LEU 458 N -3.49 2.38 -1.50 2.19 4.77 -0.38 -3.89 117.00 117.09 3kx2 n LEU 458 Ca -0.03 -0.98 0.01 0.00 -0.03 0.00 0.00 56.01 54.98 3kx2 n LEU 458 Cb 0.08 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3kx2 n LEU 458 CO 0.24 0.49 0.14 0.54 -1.33 0.00 0.00 177.39 177.48 3kx2 n ARG 459 N 0.80 1.04 -4.22 3.23 1.74 -0.03 -4.88 116.66 114.34 3kx2 n ARG 459 Ca 0.17 -2.79 -0.16 0.00 -0.77 0.00 0.00 57.85 54.29 3kx2 n ARG 459 Cb 0.45 -0.91 -0.14 0.00 -1.02 0.00 0.00 32.46 30.84 3kx2 n ARG 459 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kx2 s SER 460 N -2.77 0.91 0.25 0.55 0.15 -1.16 -3.95 113.70 107.68 3kx2 s SER 460 Ca 0.36 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 3kx2 s SER 460 Cb 0.38 -0.06 -0.09 0.00 -1.71 0.00 0.00 66.02 64.53 3kx2 s SER 460 CO -0.10 0.01 1.10 0.21 1.20 0.00 0.00 173.24 175.66 3kx2 s ASN 461 N -0.59 7.26 -0.19 5.45 3.84 -1.26 -4.99 114.94 124.47 3kx2 s ASN 461 Ca -0.00 2.23 0.16 0.00 0.21 0.00 0.00 52.86 55.46 3kx2 s ASN 461 Cb -0.05 -2.62 0.49 0.00 -0.55 0.00 0.00 41.25 38.52 3kx2 s ASN 461 CO 0.00 -0.17 1.38 0.18 -2.79 0.00 0.00 177.10 175.70 3kx2 n LEU 462 N 1.53 3.65 -0.08 3.21 4.77 -1.26 -4.66 117.00 124.16 3kx2 n LEU 462 Ca 0.00 -3.13 -0.14 0.00 -0.03 0.00 0.00 56.01 52.71 3kx2 n LEU 462 Cb 0.45 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3kx2 n LEU 462 CO 0.54 0.76 0.53 0.77 -1.33 0.00 0.00 177.39 178.65 3kx2 h SER 463 N 1.39 0.75 -0.47 -1.43 4.64 -1.91 0.10 113.55 116.61 3kx2 h SER 463 Ca 0.03 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kx2 h SER 463 Cb 1.40 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3kx2 h SER 463 CO 0.21 1.10 0.28 -1.28 -0.87 0.00 0.00 176.83 176.27 3kx2 h SER 464 N 0.42 0.57 -0.89 4.97 0.87 -1.97 -2.66 113.55 114.87 3kx2 h SER 464 Ca 0.03 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3kx2 h SER 464 Cb 0.93 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 3kx2 h SER 464 CO 0.08 0.47 0.49 0.74 -0.53 0.00 0.00 176.83 178.09 3kx2 h THR 465 N 0.63 1.26 -0.30 2.23 2.02 -1.79 -1.60 112.91 115.36 3kx2 h THR 465 Ca 0.17 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 3kx2 h THR 465 Cb 0.01 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 3kx2 h THR 465 CO -0.03 0.29 -0.01 0.58 0.37 0.00 0.00 175.52 176.72 3kx2 h VAL 466 N 1.25 1.26 -0.81 3.16 2.07 -0.91 -0.01 116.25 122.26 3kx2 h VAL 466 Ca 0.31 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.91 3kx2 h VAL 466 Cb 0.02 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3kx2 h VAL 466 CO -0.05 0.31 0.52 0.25 0.02 0.00 0.00 177.57 178.62 3kx2 h LEU 467 N 0.32 0.87 0.03 2.57 5.85 -1.21 0.30 115.31 124.04 3kx2 h LEU 467 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kx2 h LEU 467 Cb 0.45 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kx2 h LEU 467 CO 0.02 0.60 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.37 3kx2 h GLU 468 N 1.02 -0.04 -0.84 1.25 5.08 -1.11 -0.17 114.58 119.78 3kx2 h GLU 468 Ca 0.32 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 3kx2 h GLU 468 Cb -0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3kx2 h GLU 468 CO -0.11 0.11 0.54 -0.07 -1.00 0.00 0.00 179.01 178.48 3kx2 h LEU 469 N -0.17 0.91 -0.81 1.33 3.38 -0.71 0.50 115.31 119.74 3kx2 h LEU 469 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kx2 h LEU 469 Cb 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3kx2 h LEU 469 CO 0.01 0.63 0.41 0.11 0.09 0.00 0.00 178.44 179.69 3kx2 h LYS 470 N 1.06 1.15 -0.05 1.13 1.79 -0.75 -1.07 116.57 119.83 3kx2 h LYS 470 Ca 0.33 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.58 3kx2 h LYS 470 Cb -0.02 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 3kx2 h LYS 470 CO -0.11 0.87 -0.28 -0.22 -1.08 0.00 0.00 179.45 178.64 3kx2 h LYS 471 N 1.14 0.09 0.00 3.15 3.11 -0.17 -0.66 116.57 123.23 3kx2 h LYS 471 Ca 0.28 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 3kx2 h LYS 471 Cb 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 3kx2 h LYS 471 CO -0.04 0.37 0.00 1.28 -2.81 0.00 0.00 179.45 178.25 3kx2 n LEU 472 N -4.18 0.00 -0.18 5.20 4.77 0.09 -4.87 117.00 117.84 3kx2 n LEU 472 Ca -0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 3kx2 n LEU 472 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3kx2 n LEU 472 CO 0.38 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.03 3kx2 n GLY 473 N 0.78 0.36 3.56 -0.72 0.00 -0.25 -5.00 105.19 103.91 3kx2 n GLY 473 Ca 0.20 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3kx2 n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx2 s ILE 474 N -2.08 5.00 -0.17 -0.61 1.01 -0.50 -4.95 121.20 118.91 3kx2 s ILE 474 Ca 0.00 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 3kx2 s ILE 474 Cb 0.00 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 3kx2 s ILE 474 CO 0.00 -0.24 0.31 0.44 0.00 0.00 0.00 174.94 175.45 3kx2 h ASP 475 N 8.48 0.19 -1.57 3.58 3.32 -1.93 -3.39 116.42 125.09 3kx2 h ASP 475 Ca -0.28 -0.70 -0.69 0.00 0.02 0.00 0.00 57.03 55.38 3kx2 h ASP 475 Cb 1.12 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.48 3kx2 h ASP 475 CO 0.78 1.63 1.62 -0.62 -1.72 0.00 0.00 179.24 180.93 3kx2 s ASP 476 N -6.94 6.85 0.38 6.45 3.68 -1.26 -4.82 116.67 121.01 3kx2 s ASP 476 Ca -0.25 -2.46 0.11 0.00 2.13 0.00 0.00 52.55 52.08 3kx2 s ASP 476 Cb 0.06 -2.49 0.76 0.00 -1.45 0.00 0.00 42.92 39.80 3kx2 s ASP 476 CO 0.67 -1.05 1.87 -0.07 0.13 0.00 0.00 175.17 176.72 3kx2 h LEU 477 N 11.29 0.09 -0.67 -1.34 3.38 -2.00 -2.83 115.31 123.23 3kx2 h LEU 477 Ca 0.33 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3kx2 h LEU 477 Cb 0.91 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3kx2 h LEU 477 CO 1.33 0.37 -0.17 0.58 0.09 0.00 0.00 178.44 180.64 3kx2 h VAL 478 N 0.09 1.27 -0.53 1.22 2.07 -1.99 -3.11 116.25 115.26 3kx2 h VAL 478 Ca 0.01 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3kx2 h VAL 478 Cb 0.53 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3kx2 h VAL 478 CO 0.04 0.44 0.00 1.41 0.02 0.00 0.00 177.57 179.48 3kx2 n HIS 479 N -4.13 1.81 -1.89 1.57 8.25 -1.08 -4.95 115.22 114.80 3kx2 n HIS 479 Ca 0.01 -0.74 -0.41 0.00 -0.26 0.00 0.00 57.72 56.31 3kx2 n HIS 479 Cb 0.41 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 3kx2 n HIS 479 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3kx2 s PHE 480 N -2.67 2.88 -1.18 4.41 5.36 -1.12 -4.83 117.98 120.83 3kx2 s PHE 480 Ca 0.52 0.89 -0.15 0.00 -0.96 0.00 0.00 56.93 57.23 3kx2 s PHE 480 Cb 0.39 -3.95 -0.06 0.00 -0.34 0.00 0.00 43.02 39.07 3kx2 s PHE 480 CO 0.16 -3.16 2.21 -3.47 -1.46 0.00 0.00 175.22 169.50 3kx2 n ASP 481 N 2.29 4.23 -4.77 6.13 2.03 -1.26 -4.92 116.55 120.27 3kx2 n ASP 481 Ca 0.08 -2.68 -0.38 0.00 0.52 0.00 0.00 54.79 52.33 3kx2 n ASP 481 Cb 0.39 -1.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 3kx2 n ASP 481 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3kx2 s PHE 482 N 3.69 3.22 0.27 -0.67 0.08 -1.26 -4.53 117.98 118.79 3kx2 s PHE 482 Ca 0.53 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.20 3kx2 s PHE 482 Cb 0.14 -3.25 0.39 0.00 -0.57 0.00 0.00 43.02 39.73 3kx2 s PHE 482 CO -0.01 -0.88 1.75 1.98 -0.10 0.00 0.00 175.22 177.95 3kx2 h MET 483 N 2.69 0.63 -3.53 0.44 1.85 -1.91 -3.36 114.93 111.74 3kx2 h MET 483 Ca -0.48 -0.20 -0.57 0.00 -0.61 0.00 0.00 59.70 57.84 3kx2 h MET 483 Cb 1.22 -0.06 -0.40 0.00 0.43 0.00 0.00 31.60 32.80 3kx2 h MET 483 CO 0.63 0.74 -0.76 -0.51 -0.40 0.00 0.00 176.91 176.60 3kx2 s ASP 484 N -6.74 3.77 0.42 1.39 1.01 -1.26 -5.13 116.67 110.12 3kx2 s ASP 484 Ca -0.08 -1.43 -0.27 0.00 0.71 0.00 0.00 52.55 51.49 3kx2 s ASP 484 Cb 0.14 -0.79 -0.09 0.00 1.01 0.00 0.00 42.92 43.19 3kx2 s ASP 484 CO 0.80 -0.39 1.46 -2.84 0.21 0.00 0.00 175.17 174.41 3kx2 s PRO 485 N 1.69 3.87 0.73 8.23 0.02 -1.26 -4.88 135.00 143.41 3kx2 s PRO 485 Ca 0.07 2.49 -0.11 0.00 0.02 0.00 0.00 61.00 63.47 3kx2 s PRO 485 Cb -0.17 -2.80 0.03 0.00 0.02 0.00 0.00 34.50 31.58 3kx2 s PRO 485 CO -0.22 -0.69 1.09 -1.25 -0.33 0.00 0.00 177.00 175.60 3kx2 s PRO 486 N -2.29 2.65 0.20 5.54 0.05 -1.26 -4.96 135.00 134.93 3kx2 s PRO 486 Ca 0.57 0.53 -0.31 0.00 0.05 0.00 0.00 61.00 61.84 3kx2 s PRO 486 Cb -0.45 -1.99 -0.11 0.00 0.05 0.00 0.00 34.50 32.00 3kx2 s PRO 486 CO 0.60 -1.20 1.62 0.00 0.05 0.00 0.00 177.00 178.06 3kx2 s ALA 487 N -3.29 3.82 0.55 8.56 0.00 -1.26 -4.86 121.76 125.29 3kx2 s ALA 487 Ca 0.59 1.47 0.34 0.00 0.00 0.00 0.00 51.96 54.35 3kx2 s ALA 487 Cb -0.12 -3.65 1.50 0.00 0.00 0.00 0.00 23.12 20.85 3kx2 s ALA 487 CO 0.53 -0.85 1.82 -1.35 0.00 0.00 0.00 175.76 175.90 3kx2 h PRO 488 N 6.45 0.00 -0.01 0.00 0.11 -1.98 -1.61 132.00 134.95 3kx2 h PRO 488 Ca -0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 3kx2 h PRO 488 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kx2 h PRO 488 CO 0.91 0.00 -0.86 1.05 -0.21 0.00 0.00 178.00 178.89 3kx2 h GLU 489 N 0.00 0.26 -0.66 1.05 9.09 -1.99 -0.33 114.58 121.99 3kx2 h GLU 489 Ca 0.47 -0.27 -0.08 0.00 0.05 0.00 0.00 59.36 59.53 3kx2 h GLU 489 Cb 1.99 0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 29.14 3kx2 h GLU 489 CO -0.00 0.97 0.10 1.79 0.05 0.00 0.00 179.01 181.92 3kx2 h THR 490 N 0.15 1.26 -0.31 -1.06 1.35 -1.67 -1.39 112.91 111.25 3kx2 h THR 490 Ca -0.05 -1.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.75 3kx2 h THR 490 Cb 1.47 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3kx2 h THR 490 CO 0.14 0.39 0.10 0.24 -0.25 0.00 0.00 175.52 176.14 3kx2 h MET 491 N 1.03 0.48 -0.13 4.72 2.86 -1.44 -1.85 114.93 120.60 3kx2 h MET 491 Ca 0.20 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3kx2 h MET 491 Cb 0.45 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3kx2 h MET 491 CO 0.01 0.52 0.06 0.52 1.06 0.00 0.00 176.91 179.08 3kx2 h MET 492 N 0.34 0.12 -0.88 1.72 2.86 -0.93 -1.21 114.93 116.96 3kx2 h MET 492 Ca 0.10 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 3kx2 h MET 492 Cb 0.24 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 3kx2 h MET 492 CO -0.00 0.08 0.57 0.00 1.06 0.00 0.00 176.91 178.62 3kx2 h ARG 493 N 0.13 0.85 -0.32 1.72 3.08 -1.19 -1.34 114.38 117.31 3kx2 h ARG 493 Ca 0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kx2 h ARG 493 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3kx2 h ARG 493 CO -0.04 0.56 0.03 0.00 -1.07 0.00 0.00 179.97 179.45 3kx2 h ALA 494 N 1.56 0.43 -0.39 0.04 0.00 -0.71 -1.08 119.26 119.09 3kx2 h ALA 494 Ca 0.40 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3kx2 h ALA 494 Cb 0.39 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3kx2 h ALA 494 CO -0.17 0.15 0.09 -0.07 0.00 0.00 0.00 179.25 179.25 3kx2 h LEU 495 N 0.36 0.04 -0.26 0.00 3.38 -0.55 -1.21 115.31 117.07 3kx2 h LEU 495 Ca 0.09 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3kx2 h LEU 495 Cb 0.39 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kx2 h LEU 495 CO 0.01 0.06 0.15 -0.08 0.09 0.00 0.00 178.44 178.67 3kx2 h GLU 496 N 0.23 0.30 -0.45 1.13 4.81 -1.11 -0.73 114.58 118.76 3kx2 h GLU 496 Ca 0.19 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3kx2 h GLU 496 Cb 0.21 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3kx2 h GLU 496 CO -0.23 0.20 0.18 0.93 -0.73 0.00 0.00 179.01 179.36 3kx2 h GLU 497 N 0.31 0.36 -0.05 1.92 5.08 -0.91 -0.18 114.58 121.11 3kx2 h GLU 497 Ca 0.10 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3kx2 h GLU 497 Cb -0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kx2 h GLU 497 CO -0.05 0.24 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.90 3kx2 h LEU 498 N 0.37 0.08 -0.04 1.33 3.38 -0.88 0.48 115.31 120.03 3kx2 h LEU 498 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kx2 h LEU 498 Cb 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kx2 h LEU 498 CO -0.19 0.32 -0.01 -1.13 0.09 0.00 0.00 178.44 177.51 3kx2 h ASN 499 N 0.08 0.07 -0.95 -0.43 -0.00 -0.21 0.33 115.58 114.47 3kx2 h ASN 499 Ca 0.01 -0.39 0.07 0.00 -0.00 0.00 0.00 56.30 56.00 3kx2 h ASN 499 Cb 0.46 -0.02 -0.07 0.00 -0.00 0.00 0.00 38.32 38.69 3kx2 h ASN 499 CO 0.03 0.44 0.61 1.88 -0.00 0.00 0.00 177.43 180.40 3kx2 h TYR 500 N -0.30 1.10 0.00 0.67 0.05 -0.61 0.27 116.97 118.15 3kx2 h TYR 500 Ca 0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3kx2 h TYR 500 Cb 0.41 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3kx2 h TYR 500 CO 0.06 0.55 0.00 1.28 -1.05 0.00 0.00 178.16 179.00 3kx2 n LEU 501 N -4.51 0.00 -0.86 3.88 4.77 0.12 -4.87 117.00 115.52 3kx2 n LEU 501 Ca 0.15 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.51 3kx2 n LEU 501 Cb 0.22 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3kx2 n LEU 501 CO 0.32 -0.22 -0.11 0.00 -1.33 0.00 0.00 177.39 176.05 3kx2 n ALA 502 N -1.49 -0.18 0.05 -1.18 0.00 0.94 -4.89 120.51 113.77 3kx2 n ALA 502 Ca 0.04 0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 3kx2 n ALA 502 Cb 0.18 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 3kx2 n ALA 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kx2 s LEU 504 N -6.61 2.29 0.86 0.00 1.43 -1.01 -1.91 118.68 113.72 3kx2 s LEU 504 Ca 0.00 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 3kx2 s LEU 504 Cb 0.10 -1.03 0.18 0.00 0.03 0.00 0.00 46.19 45.46 3kx2 s LEU 504 CO 0.82 0.12 1.18 1.51 0.23 0.00 0.00 176.35 180.21 3kx2 s ASP 505 N -1.88 3.60 0.01 2.29 1.47 0.44 -4.13 116.67 118.48 3kx2 s ASP 505 Ca 0.09 -0.09 0.12 0.00 1.18 0.00 0.00 52.55 53.86 3kx2 s ASP 505 Cb -0.10 -0.07 0.52 0.00 -0.34 0.00 0.00 42.92 42.93 3kx2 s ASP 505 CO 0.05 -2.38 1.39 -0.90 0.68 0.00 0.00 175.17 174.00 3kx2 n ASP 506 N -3.36 0.03 -1.37 2.11 5.75 -1.26 -1.06 116.55 117.39 3kx2 n ASP 506 Ca 0.16 0.51 0.08 0.00 -0.01 0.00 0.00 54.79 55.53 3kx2 n ASP 506 Cb 0.60 -0.51 0.32 0.00 -1.03 0.00 0.00 41.12 40.50 3kx2 n ASP 506 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3kx2 n GLU 507 N -1.53 3.64 -0.91 0.11 0.28 -1.26 -4.81 120.64 116.15 3kx2 n GLU 507 Ca 0.03 -2.81 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 3kx2 n GLU 507 Cb 0.14 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.15 3kx2 n GLU 507 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kx2 n GLY 508 N 0.66 0.49 3.89 -1.84 0.00 -0.22 -5.03 105.19 103.14 3kx2 n GLY 508 Ca 0.23 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3kx2 n GLY 508 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kx2 s ASN 509 N -2.45 6.41 0.26 1.61 0.01 -1.26 -4.82 114.94 114.70 3kx2 s ASN 509 Ca 0.00 0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 3kx2 s ASN 509 Cb 0.00 -2.05 -0.14 0.00 0.41 0.00 0.00 41.25 39.48 3kx2 s ASN 509 CO 0.00 0.31 1.21 0.18 -1.51 0.00 0.00 177.10 177.30 3kx2 n LEU 510 N 1.36 2.50 -4.97 0.60 4.32 -1.26 -0.42 117.00 119.12 3kx2 n LEU 510 Ca -0.14 1.17 -0.19 0.00 -0.02 0.00 0.00 56.01 56.83 3kx2 n LEU 510 Cb 0.53 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 3kx2 n LEU 510 CO 0.39 -0.92 0.12 0.42 -1.22 0.00 0.00 177.39 176.18 3kx2 s THR 511 N -0.61 2.77 0.33 -5.08 -4.23 -0.81 -4.79 115.64 103.22 3kx2 s THR 511 Ca 0.63 -1.11 0.09 0.00 -1.18 0.00 0.00 61.69 60.12 3kx2 s THR 511 Cb -0.69 -2.88 0.32 0.00 1.34 0.00 0.00 72.50 70.59 3kx2 s THR 511 CO 0.56 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.78 3kx2 h PRO 512 N 0.71 0.67 -0.26 3.99 0.11 -1.89 -0.01 132.00 135.30 3kx2 h PRO 512 Ca -0.39 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3kx2 h PRO 512 Cb 1.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kx2 h PRO 512 CO 0.48 0.44 -0.03 1.25 -0.21 0.00 0.00 178.00 179.94 3kx2 h LEU 513 N 0.69 0.47 -0.93 2.35 5.85 -1.85 -1.82 115.31 120.07 3kx2 h LEU 513 Ca 0.56 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3kx2 h LEU 513 Cb 0.97 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3kx2 h LEU 513 CO -0.33 0.70 0.50 1.23 -0.34 0.00 0.00 178.44 180.19 3kx2 h GLY 514 N 0.24 1.34 0.96 3.75 0.00 -1.37 0.29 103.07 108.28 3kx2 h GLY 514 Ca 0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3kx2 h GLY 514 CO 0.02 0.58 0.13 -0.09 0.00 0.00 0.00 176.54 177.17 3kx2 h ARG 515 N 1.26 0.75 -0.20 4.80 2.43 -0.91 -1.84 114.38 120.66 3kx2 h ARG 515 Ca 0.32 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3kx2 h ARG 515 Cb 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3kx2 h ARG 515 CO -0.05 0.72 -0.38 1.25 -1.51 0.00 0.00 179.97 180.00 3kx2 h LEU 516 N 0.63 0.68 -2.01 3.80 5.85 -0.92 -2.98 115.31 120.37 3kx2 h LEU 516 Ca 0.15 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.39 3kx2 h LEU 516 Cb 0.30 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kx2 h LEU 516 CO -0.00 1.10 0.16 0.00 -0.34 0.00 0.00 178.44 179.36 3kx2 h ALA 517 N 0.60 2.21 0.00 1.25 0.00 -0.33 -0.14 119.26 122.84 3kx2 h ALA 517 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kx2 h ALA 517 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kx2 h ALA 517 CO 0.09 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 3kx2 n SER 518 N -4.46 0.00 -0.10 0.00 3.41 -0.70 -2.05 113.62 109.73 3kx2 n SER 518 Ca 0.02 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 3kx2 n SER 518 Cb 0.31 -0.43 0.46 0.00 -0.26 0.00 0.00 64.21 64.28 3kx2 n SER 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kx2 n GLN 519 N -1.43 0.43 -4.56 4.33 1.13 -0.07 -4.82 117.38 112.38 3kx2 n GLN 519 Ca 0.08 -0.19 -0.33 0.00 -1.94 0.00 0.00 57.00 54.61 3kx2 n GLN 519 Cb 0.27 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.99 3kx2 n GLN 519 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3kx2 s PHE 520 N -2.71 2.94 -1.39 1.08 0.08 -0.87 -5.01 117.98 112.10 3kx2 s PHE 520 Ca 0.21 -0.32 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 3kx2 s PHE 520 Cb 0.19 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.70 3kx2 s PHE 520 CO 0.56 -0.00 2.64 -0.35 -0.10 0.00 0.00 175.22 177.96 3kx2 n PRO 521 N 3.24 3.12 -3.99 0.24 -0.05 -1.26 -4.83 135.00 131.47 3kx2 n PRO 521 Ca -0.18 -2.03 -0.09 0.00 -0.05 0.00 0.00 63.50 61.16 3kx2 n PRO 521 Cb 0.53 -2.76 -0.11 0.00 -0.05 0.00 0.00 33.50 31.11 3kx2 n PRO 521 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3kx2 s LEU 522 N 0.37 2.24 0.37 1.53 1.43 -1.26 -5.08 118.68 118.27 3kx2 s LEU 522 Ca 0.59 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.89 3kx2 s LEU 522 Cb 0.15 0.15 -0.12 0.00 0.03 0.00 0.00 46.19 46.40 3kx2 s LEU 522 CO -0.05 -0.35 0.89 -0.67 0.23 0.00 0.00 176.35 176.40 3kx2 n ASP 523 N 1.38 0.70 -0.23 2.29 4.64 -1.26 -4.67 116.55 119.39 3kx2 n ASP 523 Ca -0.23 1.06 0.04 0.00 -1.38 0.00 0.00 54.79 54.28 3kx2 n ASP 523 Cb 0.56 -1.26 0.16 0.00 -1.04 0.00 0.00 41.12 39.53 3kx2 n ASP 523 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3kx2 h PRO 524 N 1.49 0.28 -0.80 -0.67 0.11 -1.94 -1.02 132.00 129.45 3kx2 h PRO 524 Ca -0.41 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.76 3kx2 h PRO 524 Cb 1.36 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 3kx2 h PRO 524 CO 0.57 0.18 0.46 0.52 -0.21 0.00 0.00 178.00 179.52 3kx2 h MET 525 N 0.28 0.78 -0.26 1.05 2.86 -1.90 0.09 114.93 117.84 3kx2 h MET 525 Ca 0.38 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.90 3kx2 h MET 525 Cb 0.62 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3kx2 h MET 525 CO -0.47 0.52 -0.16 -0.07 1.06 0.00 0.00 176.91 177.79 3kx2 h LEU 526 N 0.80 0.58 -0.72 1.22 3.38 -1.55 -2.01 115.31 117.01 3kx2 h LEU 526 Ca 0.37 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3kx2 h LEU 526 Cb 0.29 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3kx2 h LEU 526 CO -0.22 0.89 0.23 0.00 0.09 0.00 0.00 178.44 179.43 3kx2 h ALA 527 N 0.71 0.94 -0.21 1.53 0.00 -0.87 -0.92 119.26 120.45 3kx2 h ALA 527 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kx2 h ALA 527 Cb 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kx2 h ALA 527 CO 0.04 0.62 0.04 0.28 0.00 0.00 0.00 179.25 180.23 3kx2 h VAL 528 N 1.06 1.22 -0.53 0.00 2.07 -0.98 0.99 116.25 120.08 3kx2 h VAL 528 Ca 0.23 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.11 3kx2 h VAL 528 Cb 0.30 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3kx2 h VAL 528 CO -0.01 0.23 0.11 -0.03 0.02 0.00 0.00 177.57 177.89 3kx2 h MET 529 N 0.15 0.25 -0.31 1.57 -1.53 -1.18 -1.07 114.93 112.81 3kx2 h MET 529 Ca 0.07 -0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.27 3kx2 h MET 529 Cb 0.31 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.29 3kx2 h MET 529 CO 0.00 0.16 0.05 1.25 0.14 0.00 0.00 176.91 178.51 3kx2 h LEU 530 N 0.25 0.50 -0.73 3.39 5.85 -0.98 -2.84 115.31 120.76 3kx2 h LEU 530 Ca 0.27 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kx2 h LEU 530 Cb 0.37 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3kx2 h LEU 530 CO -0.34 0.64 0.48 0.40 -0.34 0.00 0.00 178.44 179.27 3kx2 h ILE 531 N 0.35 1.15 0.00 4.05 1.08 -0.37 -2.80 117.51 120.96 3kx2 h ILE 531 Ca 0.09 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3kx2 h ILE 531 Cb 0.35 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 3kx2 h ILE 531 CO 0.01 0.17 0.00 1.23 -0.69 0.00 0.00 178.15 178.87 3kx2 h GLY 532 N 0.96 0.00 0.87 5.37 0.00 -1.16 -3.39 103.07 105.72 3kx2 h GLY 532 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.71 3kx2 h GLY 532 CO -0.08 0.00 0.50 1.48 0.00 0.00 0.00 176.54 178.44 3kx2 h SER 533 N 0.00 0.60 0.55 0.19 4.64 -1.24 0.17 113.55 118.45 3kx2 h SER 533 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3kx2 h SER 533 Cb 0.77 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3kx2 h SER 533 CO 0.00 0.36 -0.03 2.19 -0.87 0.00 0.00 176.83 178.48 3kx2 h PHE 534 N 0.66 0.00 0.00 4.77 -5.15 -1.79 0.20 116.94 115.63 3kx2 h PHE 534 Ca 0.35 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.12 3kx2 h PHE 534 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 3kx2 h PHE 534 CO -0.00 0.03 0.00 0.93 -2.00 0.00 0.00 178.31 177.26 3kx2 h GLU 535 N 0.00 0.00 -0.54 6.09 4.39 -0.95 -2.48 114.58 121.08 3kx2 h GLU 535 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kx2 h GLU 535 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3kx2 h GLU 535 CO 0.00 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.04 3kx2 n PHE 536 N -2.55 0.72 -3.60 4.33 3.72 0.64 -4.98 117.46 115.73 3kx2 n PHE 536 Ca 0.03 -0.44 -0.25 0.00 -0.05 0.00 0.00 57.45 56.75 3kx2 n PHE 536 Cb 0.36 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.95 3kx2 n PHE 536 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3kx2 n GLN 537 N 1.28 -7.07 -2.09 -1.08 -0.06 -0.84 -4.76 117.38 102.75 3kx2 n GLN 537 Ca 0.19 0.78 -0.02 0.00 -2.00 0.00 0.00 57.00 55.96 3kx2 n GLN 537 Cb 0.55 -5.78 0.04 0.00 -4.06 0.00 0.00 30.24 21.00 3kx2 n GLN 537 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kx2 h SER 539 N 1.05 0.00 -0.33 0.00 4.64 -1.52 -0.31 113.55 117.09 3kx2 h SER 539 Ca -0.39 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.90 3kx2 h SER 539 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3kx2 h SER 539 CO -0.10 0.26 0.11 1.56 -0.87 0.00 0.00 176.83 177.79 3kx2 h GLN 540 N 0.00 0.51 -0.21 4.77 4.20 -1.10 0.14 115.11 123.41 3kx2 h GLN 540 Ca -0.00 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.44 3kx2 h GLN 540 Cb 0.56 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3kx2 h GLN 540 CO 0.03 0.54 -0.52 0.93 -0.67 0.00 0.00 178.83 179.14 3kx2 h GLU 541 N 0.37 0.61 -0.41 1.46 3.07 -1.61 -2.67 114.58 115.41 3kx2 h GLU 541 Ca 0.11 -0.38 -0.14 0.00 -0.50 0.00 0.00 59.36 58.45 3kx2 h GLU 541 Cb 0.24 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3kx2 h GLU 541 CO -0.00 0.99 -0.31 0.82 -1.40 0.00 0.00 179.01 179.11 3kx2 h ILE 542 N 0.48 1.27 -0.57 3.13 1.08 -1.04 -1.76 117.51 120.10 3kx2 h ILE 542 Ca 0.02 -1.47 0.10 0.00 -0.39 0.00 0.00 64.86 63.11 3kx2 h ILE 542 Cb 1.07 1.31 -0.11 0.00 -3.07 0.00 0.00 36.82 36.03 3kx2 h ILE 542 CO 0.10 0.50 -0.38 0.25 -0.69 0.00 0.00 178.15 177.93 3kx2 h LEU 543 N 0.75 -1.30 -0.71 1.44 6.46 -0.68 0.19 115.31 121.46 3kx2 h LEU 543 Ca 0.08 0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.96 3kx2 h LEU 543 Cb 0.89 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 3kx2 h LEU 543 CO 0.08 -0.32 -0.21 0.74 -0.62 0.00 0.00 178.44 178.11 3kx2 h THR 544 N -0.20 1.27 -0.67 1.05 2.02 -1.20 -1.86 112.91 113.32 3kx2 h THR 544 Ca 0.21 -1.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 3kx2 h THR 544 Cb 0.56 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3kx2 h THR 544 CO -0.67 0.44 0.28 0.40 0.37 0.00 0.00 175.52 176.34 3kx2 h ILE 545 N 0.67 1.24 -0.60 3.11 2.04 -0.59 0.17 117.51 123.55 3kx2 h ILE 545 Ca 0.10 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 3kx2 h ILE 545 Cb 0.72 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3kx2 h ILE 545 CO 0.06 0.29 0.15 0.58 0.00 0.00 0.00 178.15 179.23 3kx2 h VAL 546 N 0.95 1.25 -0.54 1.67 2.07 -0.41 0.16 116.25 121.39 3kx2 h VAL 546 Ca 0.23 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3kx2 h VAL 546 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kx2 h VAL 546 CO -0.02 0.34 0.33 0.00 0.02 0.00 0.00 177.57 178.23 3kx2 h ALA 547 N 1.04 0.69 -0.13 1.67 0.00 -0.93 -2.17 119.26 119.43 3kx2 h ALA 547 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3kx2 h ALA 547 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kx2 h ALA 547 CO 0.00 0.17 -0.24 0.52 0.00 0.00 0.00 179.25 179.70 3kx2 h MET 548 N 0.72 0.23 0.00 0.00 2.07 -0.08 -1.89 114.93 115.98 3kx2 h MET 548 Ca 0.19 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 3kx2 h MET 548 Cb -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.69 3kx2 h MET 548 CO -0.04 0.46 0.00 1.28 1.07 0.00 0.00 176.91 179.69 3kx2 n LEU 549 N -4.18 0.76 -1.26 1.22 4.77 0.50 -3.33 117.00 115.49 3kx2 n LEU 549 Ca -0.01 0.60 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 3kx2 n LEU 549 Cb 0.35 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 3kx2 n LEU 549 CO 0.39 -0.30 0.60 -1.20 -1.33 0.00 0.00 177.39 175.55 3kx2 n SER 550 N -2.25 3.48 -3.69 -1.43 7.64 -0.71 -4.86 113.62 111.79 3kx2 n SER 550 Ca 0.04 -2.51 -0.12 0.00 1.01 0.00 0.00 58.87 57.29 3kx2 n SER 550 Cb 0.37 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 3kx2 n SER 550 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kx2 s VAL 551 N -1.91 0.07 0.92 0.44 1.01 -1.21 -4.99 120.40 114.73 3kx2 s VAL 551 Ca 0.29 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3kx2 s VAL 551 Cb 0.22 -1.02 0.15 0.00 0.00 0.00 0.00 36.38 35.73 3kx2 s VAL 551 CO 0.08 -0.33 1.11 -2.84 0.00 0.00 0.00 175.10 173.12 3kx2 s PRO 552 N -2.88 1.01 -0.07 2.72 0.02 -1.26 -4.88 135.00 129.66 3kx2 s PRO 552 Ca -0.03 1.24 -0.39 0.00 0.02 0.00 0.00 61.00 61.84 3kx2 s PRO 552 Cb 0.00 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.60 3kx2 s PRO 552 CO -0.05 -2.53 1.40 -1.71 -0.33 0.00 0.00 177.00 173.78 3kx2 n ASN 553 N -4.14 1.44 0.12 2.53 5.15 -1.26 -4.85 115.26 114.24 3kx2 n ASN 553 Ca 0.09 1.12 0.11 0.00 -0.60 0.00 0.00 54.58 55.31 3kx2 n ASN 553 Cb 0.53 -1.09 0.02 0.00 -0.53 0.00 0.00 39.78 38.70 3kx2 n ASN 553 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3kx2 h VAL 554 N 3.86 0.01 -3.35 3.44 2.07 -1.93 -3.47 116.25 116.87 3kx2 h VAL 554 Ca -0.48 -1.01 -0.56 0.00 0.82 0.00 0.00 66.70 65.47 3kx2 h VAL 554 Cb 1.35 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 3kx2 h VAL 554 CO 0.81 0.00 0.29 -0.36 0.02 0.00 0.00 177.57 178.33 3kx2 s PHE 555 N -3.34 3.54 -0.15 1.57 0.08 -1.26 -0.73 117.98 117.69 3kx2 s PHE 555 Ca 0.00 1.39 -0.18 0.00 0.12 0.00 0.00 56.93 58.26 3kx2 s PHE 555 Cb 0.09 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 3kx2 s PHE 555 CO 0.78 -0.06 0.48 0.42 -0.10 0.00 0.00 175.22 176.74 3kx2 s ILE 556 N 1.36 5.17 -0.47 0.64 -1.09 0.10 -4.93 121.20 121.98 3kx2 s ILE 556 Ca 0.42 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.81 3kx2 s ILE 556 Cb -0.18 -3.82 0.17 0.00 -1.58 0.00 0.00 42.46 37.05 3kx2 s ILE 556 CO 0.19 0.28 0.36 -0.60 -1.23 0.00 0.00 174.94 173.94 3kx2 s ARG 557 N 0.93 1.25 0.36 2.79 3.52 -1.26 -4.79 118.95 121.74 3kx2 s ARG 557 Ca 0.25 -2.34 -0.28 0.00 -0.13 0.00 0.00 55.73 53.23 3kx2 s ARG 557 Cb -0.15 -1.89 -0.11 0.00 -1.56 0.00 0.00 34.95 31.23 3kx2 s ARG 557 CO 0.10 -1.35 1.51 -2.30 -0.81 0.00 0.00 175.30 172.45 3kx2 n PRO 558 N 2.74 2.68 0.15 5.12 -0.02 -1.26 -4.87 135.00 139.54 3kx2 n PRO 558 Ca 0.26 0.94 0.08 0.00 -2.02 0.00 0.00 63.50 62.76 3kx2 n PRO 558 Cb 0.44 -2.68 0.58 0.00 -0.02 0.00 0.00 33.50 31.81 3kx2 n PRO 558 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3kx2 h THR 559 N 3.03 1.01 -0.60 3.45 2.02 -2.00 -1.23 112.91 118.59 3kx2 h THR 559 Ca -0.50 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3kx2 h THR 559 Cb 1.24 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3kx2 h THR 559 CO 0.67 0.03 0.00 2.29 0.37 0.00 0.00 175.52 178.88 3kx2 n LYS 560 N -4.51 2.39 -2.02 6.66 2.85 -1.26 -4.25 118.16 118.02 3kx2 n LYS 560 Ca 0.00 -2.17 0.01 0.00 -1.05 0.00 0.00 58.31 55.10 3kx2 n LYS 560 Cb 0.13 -1.47 0.03 0.00 -0.65 0.00 0.00 35.03 33.07 3kx2 n LYS 560 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3kx2 n ASP 561 N 1.27 0.68 -0.27 -5.58 2.03 -0.49 -4.96 116.55 109.23 3kx2 n ASP 561 Ca 0.20 -2.03 -0.04 0.00 0.52 0.00 0.00 54.79 53.44 3kx2 n ASP 561 Cb 0.51 -0.18 0.07 0.00 -0.72 0.00 0.00 41.12 40.80 3kx2 n ASP 561 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3kx2 h LYS 562 N 1.43 0.94 -0.04 -0.67 1.57 -1.68 -2.50 116.57 115.62 3kx2 h LYS 562 Ca -0.27 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3kx2 h LYS 562 Cb 1.55 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 3kx2 h LYS 562 CO 0.05 0.62 0.02 -0.22 -0.57 0.00 0.00 179.45 179.35 3kx2 h LYS 563 N 0.97 0.06 -0.19 3.15 3.11 -1.92 0.17 116.57 121.91 3kx2 h LYS 563 Ca 0.28 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 3kx2 h LYS 563 Cb -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 3kx2 h LYS 563 CO -0.08 0.11 -0.40 0.00 -2.81 0.00 0.00 179.45 176.27 3kx2 h ARG 564 N -0.01 0.44 -0.44 1.90 3.08 -1.98 -0.28 114.38 117.09 3kx2 h ARG 564 Ca 0.01 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3kx2 h ARG 564 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3kx2 h ARG 564 CO -0.00 0.77 0.22 0.00 -1.07 0.00 0.00 179.97 179.90 3kx2 h ALA 565 N 1.20 0.57 -0.22 0.04 0.00 -1.12 -1.07 119.26 118.67 3kx2 h ALA 565 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kx2 h ALA 565 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kx2 h ALA 565 CO 0.07 0.12 0.04 -0.44 0.00 0.00 0.00 179.25 179.03 3kx2 h ASP 566 N 0.57 0.34 -0.73 0.00 3.32 -0.82 -1.29 116.42 117.81 3kx2 h ASP 566 Ca 0.15 -0.26 0.16 0.00 0.02 0.00 0.00 57.03 57.11 3kx2 h ASP 566 Cb 0.09 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 39.44 3kx2 h ASP 566 CO -0.02 0.51 0.10 0.44 -1.72 0.00 0.00 179.24 178.55 3kx2 h ASP 567 N 0.16 -0.14 -0.35 6.45 3.32 -0.86 -0.19 116.42 124.82 3kx2 h ASP 567 Ca 0.07 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3kx2 h ASP 567 Cb 0.32 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3kx2 h ASP 567 CO 0.00 -0.10 0.07 0.00 -1.72 0.00 0.00 179.24 177.50 3kx2 h ALA 568 N 1.64 0.46 -0.85 3.45 0.00 -0.85 -2.94 119.26 120.17 3kx2 h ALA 568 Ca 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kx2 h ALA 568 Cb 0.71 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3kx2 h ALA 568 CO -0.57 0.14 0.50 -0.22 0.00 0.00 0.00 179.25 179.11 3kx2 h LYS 569 N 0.41 1.17 0.00 0.00 3.64 -0.26 -2.66 116.57 118.87 3kx2 h LYS 569 Ca 0.11 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kx2 h LYS 569 Cb 0.32 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3kx2 h LYS 569 CO 0.00 0.83 -0.00 -0.91 -2.27 0.00 0.00 179.45 177.10 3kx2 h ASN 570 N 1.18 0.00 -0.82 4.20 4.21 -0.88 0.12 115.58 123.58 3kx2 h ASN 570 Ca 0.30 0.00 0.14 0.00 1.21 0.00 0.00 56.30 57.95 3kx2 h ASN 570 Cb -0.02 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.12 3kx2 h ASN 570 CO -0.05 0.00 0.54 0.40 -1.29 0.00 0.00 177.43 177.03 3kx2 h ILE 571 N 0.00 0.84 0.00 2.81 2.04 -1.46 -3.04 117.51 118.69 3kx2 h ILE 571 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kx2 h ILE 571 Cb 0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3kx2 h ILE 571 CO 0.00 0.11 -1.48 0.49 0.00 0.00 0.00 178.15 177.27 3kx2 n PHE 572 N -4.52 0.00 -2.01 1.37 3.72 0.31 -5.02 117.46 111.31 3kx2 n PHE 572 Ca 0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.14 3kx2 n PHE 572 Cb 0.47 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3kx2 n PHE 572 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kx2 s ALA 573 N -2.92 3.61 -0.19 4.37 0.00 -0.59 -4.52 121.76 121.52 3kx2 s ALA 573 Ca -0.03 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 3kx2 s ALA 573 Cb 0.10 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3kx2 s ALA 573 CO 0.63 -0.75 -0.06 -1.58 0.00 0.00 0.00 175.76 174.00 3kx2 s HIS 574 N -0.18 2.94 0.33 0.00 2.46 -1.26 -4.98 115.29 114.61 3kx2 s HIS 574 Ca 0.58 -0.78 -0.29 0.00 0.47 0.00 0.00 55.06 55.04 3kx2 s HIS 574 Cb -0.42 -2.03 -0.12 0.00 -0.13 0.00 0.00 32.58 29.88 3kx2 s HIS 574 CO 0.45 -0.40 1.43 -0.35 -2.47 0.00 0.00 174.74 173.40 3kx2 n PRO 575 N 4.35 2.40 -2.68 2.88 -0.04 -1.26 -1.60 135.00 139.05 3kx2 n PRO 575 Ca -0.18 0.85 -0.14 0.00 -0.04 0.00 0.00 63.50 63.98 3kx2 n PRO 575 Cb 0.51 -2.52 -0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3kx2 n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kx2 n ASP 576 N 1.10 -3.64 -2.75 3.54 9.92 -1.26 -4.87 116.55 118.58 3kx2 n ASP 576 Ca 0.05 0.07 -0.08 0.00 -0.53 0.00 0.00 54.79 54.30 3kx2 n ASP 576 Cb 0.36 -3.09 0.05 0.00 -0.64 0.00 0.00 41.12 37.81 3kx2 n ASP 576 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kx2 n GLY 577 N -0.88 0.09 0.35 0.44 0.00 -0.63 -1.27 105.19 103.30 3kx2 n GLY 577 Ca -0.10 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3kx2 n GLY 577 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kx2 h ASP 578 N 3.89 0.33 -0.31 1.61 3.32 -1.24 -1.23 116.42 122.80 3kx2 h ASP 578 Ca -0.14 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 3kx2 h ASP 578 Cb 1.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3kx2 h ASP 578 CO 0.31 0.20 -0.11 0.45 -1.72 0.00 0.00 179.24 178.37 3kx2 h HIS 579 N 0.37 0.80 -0.19 4.55 3.86 -1.89 -2.08 115.15 120.57 3kx2 h HIS 579 Ca 0.26 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 3kx2 h HIS 579 Cb 0.53 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3kx2 h HIS 579 CO -0.00 0.81 -0.34 0.82 0.86 0.00 0.00 177.93 180.08 3kx2 h ILE 580 N 0.66 1.29 -0.59 2.45 1.08 -1.61 -2.91 117.51 117.87 3kx2 h ILE 580 Ca 0.11 -1.40 0.08 0.00 -0.39 0.00 0.00 64.86 63.26 3kx2 h ILE 580 Cb 0.57 1.51 -0.06 0.00 -3.07 0.00 0.00 36.82 35.77 3kx2 h ILE 580 CO 0.04 0.43 0.25 0.74 -0.69 0.00 0.00 178.15 178.92 3kx2 h THR 581 N 0.33 0.84 -0.78 -0.27 2.02 -0.71 -0.32 112.91 114.03 3kx2 h THR 581 Ca 0.04 -0.16 0.08 0.00 0.77 0.00 0.00 66.41 67.14 3kx2 h THR 581 Cb 0.76 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3kx2 h THR 581 CO 0.06 0.08 0.45 -0.07 0.37 0.00 0.00 175.52 176.41 3kx2 h LEU 582 N 0.46 0.66 -0.38 2.58 3.38 -1.29 -0.65 115.31 120.07 3kx2 h LEU 582 Ca 0.29 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3kx2 h LEU 582 Cb 0.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kx2 h LEU 582 CO -0.25 0.40 0.18 0.25 0.09 0.00 0.00 178.44 179.11 3kx2 h LEU 583 N 0.79 0.49 0.18 1.67 5.85 -1.19 -1.99 115.31 121.10 3kx2 h LEU 583 Ca 0.36 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3kx2 h LEU 583 Cb 0.27 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kx2 h LEU 583 CO -0.22 0.48 -0.12 0.78 -0.34 0.00 0.00 178.44 179.02 3kx2 h ASN 584 N 0.47 -0.31 -0.83 1.25 2.35 -0.10 -0.97 115.58 117.44 3kx2 h ASN 584 Ca 0.13 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3kx2 h ASN 584 Cb 0.11 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3kx2 h ASN 584 CO -0.02 -0.19 0.55 0.58 -1.65 0.00 0.00 177.43 176.70 3kx2 h VAL 585 N -0.30 1.20 -0.37 2.81 2.07 -1.13 -0.09 116.25 120.44 3kx2 h VAL 585 Ca -0.01 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3kx2 h VAL 585 Cb 0.26 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3kx2 h VAL 585 CO 0.00 0.20 -0.14 0.22 0.02 0.00 0.00 177.57 177.87 3kx2 h TYR 586 N 1.11 0.86 -0.97 1.57 3.20 -1.19 0.17 116.97 121.72 3kx2 h TYR 586 Ca 0.31 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3kx2 h TYR 586 Cb -0.11 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 37.91 3kx2 h TYR 586 CO -0.02 0.92 0.64 1.25 -1.64 0.00 0.00 178.16 179.31 3kx2 h HIS 587 N 0.54 1.20 -0.27 -3.82 2.76 -0.74 -0.39 115.15 114.43 3kx2 h HIS 587 Ca 0.09 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.14 3kx2 h HIS 587 Cb 0.68 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 3kx2 h HIS 587 CO 0.06 0.71 -0.39 0.00 -1.30 0.00 0.00 177.93 177.01 3kx2 h ALA 588 N 1.38 0.40 -0.46 5.26 0.00 -0.74 -2.45 119.26 122.66 3kx2 h ALA 588 Ca 0.38 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kx2 h ALA 588 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kx2 h ALA 588 CO -0.11 0.50 0.31 0.35 0.00 0.00 0.00 179.25 180.31 3kx2 h PHE 589 N 0.47 0.26 -0.01 0.00 3.57 -0.19 0.37 116.94 121.41 3kx2 h PHE 589 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kx2 h PHE 589 Cb 0.98 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3kx2 h PHE 589 CO 0.08 0.13 -0.06 1.63 -2.23 0.00 0.00 178.31 177.86 3kx2 n LYS 590 N -4.46 1.38 -1.38 1.11 4.76 -0.20 -4.77 118.16 114.59 3kx2 n LYS 590 Ca 0.07 -0.74 -0.32 0.00 -2.87 0.00 0.00 58.31 54.45 3kx2 n LYS 590 Cb 0.35 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.14 3kx2 n LYS 590 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kx2 s SER 591 N -2.14 4.56 0.23 4.39 1.04 0.12 -4.91 113.70 116.99 3kx2 s SER 591 Ca 0.35 1.93 -0.04 0.00 0.48 0.00 0.00 55.95 58.68 3kx2 s SER 591 Cb 0.21 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 64.04 3kx2 s SER 591 CO 0.39 -2.00 1.70 0.44 0.98 0.00 0.00 173.24 174.74 3kx2 h ASP 592 N -0.78 0.81 -0.13 7.02 3.32 -1.91 -2.58 116.42 122.16 3kx2 h ASP 592 Ca -0.45 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.41 3kx2 h ASP 592 Cb 1.24 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 3kx2 h ASP 592 CO 0.51 0.92 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.78 3kx2 h GLU 593 N 0.75 -0.09 -0.45 3.56 4.81 -1.92 0.22 114.58 121.46 3kx2 h GLU 593 Ca 0.13 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3kx2 h GLU 593 Cb 0.56 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3kx2 h GLU 593 CO 0.03 -0.06 0.22 0.00 -0.73 0.00 0.00 179.01 178.48 3kx2 h ALA 594 N 1.02 0.57 -0.45 2.92 0.00 -1.76 0.21 119.26 121.76 3kx2 h ALA 594 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kx2 h ALA 594 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kx2 h ALA 594 CO -0.19 -0.13 0.12 -0.92 0.00 0.00 0.00 179.25 178.14 3kx2 h TYR 595 N 0.44 0.73 -0.56 0.00 3.20 -1.15 -2.32 116.97 117.31 3kx2 h TYR 595 Ca 0.20 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3kx2 h TYR 595 Cb 0.11 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3kx2 h TYR 595 CO -0.10 0.67 0.37 1.49 -1.64 0.00 0.00 178.16 178.95 3kx2 h GLU 596 N 0.58 0.73 0.00 1.82 4.57 -0.06 -2.29 114.58 119.94 3kx2 h GLU 596 Ca 0.14 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3kx2 h GLU 596 Cb 0.29 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3kx2 h GLU 596 CO -0.00 0.49 -0.03 -0.92 -1.18 0.00 0.00 179.01 177.36 3kx2 h TYR 597 N 0.76 0.00 0.00 0.92 3.20 -0.37 -3.47 116.97 118.00 3kx2 h TYR 597 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3kx2 h TYR 597 Cb -0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3kx2 h TYR 597 CO -0.04 0.03 0.00 0.41 -1.64 0.00 0.00 178.16 176.92 3kx2 n GLY 598 N -1.35 0.43 0.28 1.82 0.00 -0.86 -4.72 105.19 100.78 3kx2 n GLY 598 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.25 3kx2 n GLY 598 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kx2 h ILE 599 N 0.00 0.72 -0.40 -0.61 6.09 -1.71 0.35 117.51 121.94 3kx2 h ILE 599 Ca 0.00 -0.18 -0.08 0.00 -1.37 0.00 0.00 64.86 63.23 3kx2 h ILE 599 Cb 0.00 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.43 3kx2 h ILE 599 CO 0.00 0.09 -0.08 0.45 -3.07 0.00 0.00 178.15 175.55 3kx2 h HIS 600 N 0.52 0.85 -0.53 2.19 3.86 -1.94 -0.76 115.15 119.34 3kx2 h HIS 600 Ca 0.41 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 3kx2 h HIS 600 Cb 0.58 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3kx2 h HIS 600 CO -0.14 0.88 0.01 -0.22 0.86 0.00 0.00 177.93 179.32 3kx2 h LYS 601 N 0.57 0.89 -0.33 2.45 3.64 -1.58 -2.28 116.57 119.94 3kx2 h LYS 601 Ca 0.10 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3kx2 h LYS 601 Cb 0.59 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3kx2 h LYS 601 CO 0.04 0.88 0.16 2.35 -2.27 0.00 0.00 179.45 180.61 3kx2 h TRP 602 N 0.83 0.31 -0.43 1.91 7.01 0.19 0.68 115.95 126.44 3kx2 h TRP 602 Ca 0.16 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 3kx2 h TRP 602 Cb 0.48 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3kx2 h TRP 602 CO 0.03 0.17 0.14 0.00 -2.79 0.00 0.00 178.44 175.99 3kx2 h ARG 604 N 0.55 -0.18 0.00 0.00 3.08 -1.03 0.24 114.38 117.05 3kx2 h ARG 604 Ca 0.14 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3kx2 h ARG 604 Cb 0.25 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3kx2 h ARG 604 CO -0.01 -0.12 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.24 3kx2 h ASP 605 N -0.18 0.00 -0.63 7.04 3.32 -0.78 -2.02 116.42 123.17 3kx2 h ASP 605 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kx2 h ASP 605 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3kx2 h ASP 605 CO -0.05 0.10 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 3kx2 n HIS 606 N -3.51 0.84 -3.54 4.55 8.25 -0.58 -4.95 115.22 116.27 3kx2 n HIS 606 Ca -0.02 -0.42 -0.20 0.00 -0.26 0.00 0.00 57.72 56.83 3kx2 n HIS 606 Cb 0.24 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.42 3kx2 n HIS 606 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kx2 n TYR 607 N 1.52 -2.26 -4.87 4.41 4.01 -0.55 -4.65 117.16 114.77 3kx2 n TYR 607 Ca 0.23 0.93 -0.26 0.00 -0.16 0.00 0.00 57.90 58.64 3kx2 n TYR 607 Cb 0.59 -4.87 -0.15 0.00 -0.31 0.00 0.00 39.34 34.59 3kx2 n TYR 607 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kx2 s LEU 608 N -6.65 2.05 -0.58 7.72 1.02 0.73 0.03 118.68 123.00 3kx2 s LEU 608 Ca 0.14 -0.35 -0.26 0.00 0.02 0.00 0.00 54.13 53.68 3kx2 s LEU 608 Cb -0.07 -0.95 0.04 0.00 0.02 0.00 0.00 46.19 45.22 3kx2 s LEU 608 CO 0.75 0.22 1.09 0.21 0.02 0.00 0.00 176.35 178.65 3kx2 s ASN 609 N -0.51 6.38 0.31 2.29 3.84 0.09 -4.17 114.94 123.16 3kx2 s ASN 609 Ca 0.07 -0.14 -0.00 0.00 0.21 0.00 0.00 52.86 53.00 3kx2 s ASN 609 Cb -0.07 -2.50 0.51 0.00 -0.55 0.00 0.00 41.25 38.64 3kx2 s ASN 609 CO -0.00 -1.41 1.95 0.22 -2.79 0.00 0.00 177.10 175.07 3kx2 h TYR 610 N 9.49 0.99 -0.69 0.43 3.20 -1.91 -2.05 116.97 126.43 3kx2 h TYR 610 Ca -0.26 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 3kx2 h TYR 610 Cb 1.06 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3kx2 h TYR 610 CO 0.99 0.59 0.34 -0.09 -1.64 0.00 0.00 178.16 178.35 3kx2 h ARG 611 N 1.04 0.99 -0.32 1.82 2.43 -1.99 0.55 114.38 118.90 3kx2 h ARG 611 Ca 0.32 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 3kx2 h ARG 611 Cb 0.01 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3kx2 h ARG 611 CO -0.09 0.77 -0.49 0.77 -1.51 0.00 0.00 179.97 179.42 3kx2 h SER 612 N 0.96 0.99 -0.54 -3.80 0.02 -1.85 -2.12 113.55 107.21 3kx2 h SER 612 Ca 0.24 -0.51 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 3kx2 h SER 612 Cb 0.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3kx2 h SER 612 CO -0.03 1.31 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.87 3kx2 h LEU 613 N 0.71 0.97 -0.70 5.07 3.38 -1.09 -0.32 115.31 123.32 3kx2 h LEU 613 Ca 0.03 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 3kx2 h LEU 613 Cb 1.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3kx2 h LEU 613 CO 0.11 1.06 0.02 -1.28 0.09 0.00 0.00 178.44 178.44 3kx2 h SER 614 N 0.86 0.99 -0.44 -0.43 0.87 -0.89 0.76 113.55 115.27 3kx2 h SER 614 Ca 0.15 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 3kx2 h SER 614 Cb 0.58 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3kx2 h SER 614 CO 0.03 1.03 -0.03 0.00 -0.53 0.00 0.00 176.83 177.34 3kx2 h ALA 615 N 1.07 1.01 -0.56 6.23 0.00 -1.13 -1.45 119.26 124.43 3kx2 h ALA 615 Ca 0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kx2 h ALA 615 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kx2 h ALA 615 CO 0.03 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.91 3kx2 h ALA 616 N 1.18 0.99 -0.08 0.00 0.00 -0.47 -1.39 119.26 119.48 3kx2 h ALA 616 Ca 0.15 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kx2 h ALA 616 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kx2 h ALA 616 CO 0.03 0.62 -0.02 0.22 0.00 0.00 0.00 179.25 180.10 3kx2 h ASP 617 N 0.88 -0.07 -0.47 0.00 3.58 -0.30 0.66 116.42 120.70 3kx2 h ASP 617 Ca 0.17 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 3kx2 h ASP 617 Cb 0.48 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 3kx2 h ASP 617 CO 0.02 -0.02 0.24 -1.13 -2.88 0.00 0.00 179.24 175.46 3kx2 h ASN 618 N 0.00 0.60 -0.59 2.28 -1.24 -1.10 -2.12 115.58 113.41 3kx2 h ASN 618 Ca 0.04 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 56.96 3kx2 h ASN 618 Cb 0.06 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 3kx2 h ASN 618 CO -0.08 0.54 0.37 0.40 -1.29 0.00 0.00 177.43 177.37 3kx2 h ILE 619 N 0.61 1.10 -0.56 2.57 2.04 -0.99 -0.46 117.51 121.82 3kx2 h ILE 619 Ca 0.16 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3kx2 h ILE 619 Cb 0.09 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3kx2 h ILE 619 CO -0.02 0.14 0.29 -0.09 0.00 0.00 0.00 178.15 178.47 3kx2 h ARG 620 N 0.75 0.55 -0.30 2.37 2.43 -0.65 0.88 114.38 120.40 3kx2 h ARG 620 Ca 0.23 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3kx2 h ARG 620 Cb -0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3kx2 h ARG 620 CO -0.08 0.36 0.17 0.77 -1.51 0.00 0.00 179.97 179.67 3kx2 h SER 621 N 0.56 0.26 -0.57 -3.80 0.02 -0.69 0.03 113.55 109.35 3kx2 h SER 621 Ca 0.24 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 3kx2 h SER 621 Cb 0.14 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3kx2 h SER 621 CO -0.16 0.19 0.05 1.56 -1.14 0.00 0.00 176.83 177.33 3kx2 h GLN 622 N 0.34 1.01 -0.66 3.45 1.08 -0.67 -2.15 115.11 117.51 3kx2 h GLN 622 Ca 0.12 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 3kx2 h GLN 622 Cb 0.02 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 3kx2 h GLN 622 CO -0.07 0.96 0.13 -0.07 -0.95 0.00 0.00 178.83 178.83 3kx2 h LEU 623 N 0.94 1.03 -0.62 1.46 4.07 -0.58 -2.00 115.31 119.60 3kx2 h LEU 623 Ca 0.18 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 57.91 3kx2 h LEU 623 Cb 0.47 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 3kx2 h LEU 623 CO 0.02 1.02 0.40 -0.08 -1.08 0.00 0.00 178.44 178.71 3kx2 h GLU 624 N 1.00 0.78 -0.80 1.13 4.81 -0.74 0.77 114.58 121.53 3kx2 h GLU 624 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3kx2 h GLU 624 Cb 0.41 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 3kx2 h GLU 624 CO 0.01 0.51 0.50 0.00 -0.73 0.00 0.00 179.01 179.30 3kx2 h ARG 625 N 0.80 1.07 -0.81 1.92 3.08 -1.13 0.14 114.38 119.46 3kx2 h ARG 625 Ca 0.24 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3kx2 h ARG 625 Cb -0.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 3kx2 h ARG 625 CO -0.08 0.73 0.40 -0.07 -1.07 0.00 0.00 179.97 179.88 3kx2 h LEU 626 N 1.09 1.05 -0.61 3.04 3.38 -0.67 0.15 115.31 122.72 3kx2 h LEU 626 Ca 0.29 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3kx2 h LEU 626 Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3kx2 h LEU 626 CO -0.06 0.88 0.11 0.24 0.09 0.00 0.00 178.44 179.70 3kx2 h MET 627 N 1.14 1.01 -0.61 1.13 2.86 0.27 -0.39 114.93 120.34 3kx2 h MET 627 Ca 0.28 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3kx2 h MET 627 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3kx2 h MET 627 CO -0.04 0.94 0.19 -0.91 1.06 0.00 0.00 176.91 178.16 3kx2 h ASN 628 N 0.92 0.88 -0.77 1.22 2.35 -0.49 0.74 115.58 120.44 3kx2 h ASN 628 Ca 0.19 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3kx2 h ASN 628 Cb 0.42 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3kx2 h ASN 628 CO 0.01 0.85 0.36 -0.09 -1.65 0.00 0.00 177.43 176.92 3kx2 h ARG 629 N 0.86 1.12 -0.54 0.81 2.43 -0.23 -2.98 114.38 115.86 3kx2 h ARG 629 Ca 0.20 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kx2 h ARG 629 Cb 0.28 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kx2 h ARG 629 CO -0.01 0.87 0.00 0.66 -1.51 0.00 0.00 179.97 179.98 3kx2 n TYR 630 N -4.31 1.12 -3.26 2.20 4.01 -0.20 -4.98 117.16 111.73 3kx2 n TYR 630 Ca 0.08 -0.61 -0.16 0.00 -0.16 0.00 0.00 57.90 57.04 3kx2 n TYR 630 Cb 0.14 -0.17 0.07 0.00 -0.31 0.00 0.00 39.34 39.07 3kx2 n TYR 630 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kx2 n ASN 631 N 0.84 -3.86 -4.39 7.72 5.03 -0.50 -4.67 115.26 115.43 3kx2 n ASN 631 Ca 0.22 -0.46 -0.44 0.00 0.87 0.00 0.00 54.58 54.76 3kx2 n ASN 631 Cb 0.75 -4.14 -0.08 0.00 -1.02 0.00 0.00 39.78 35.29 3kx2 n ASN 631 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kx2 s LEU 632 N -5.76 5.61 0.40 3.41 1.43 0.14 -4.41 118.68 119.50 3kx2 s LEU 632 Ca 0.25 -1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 51.78 3kx2 s LEU 632 Cb -0.11 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.80 3kx2 s LEU 632 CO 0.58 -0.66 0.96 1.21 0.23 0.00 0.00 176.35 178.67 3kx2 n GLU 633 N 5.24 1.27 -3.13 1.70 2.13 -1.26 -4.52 120.64 122.07 3kx2 n GLU 633 Ca -0.12 0.45 -0.43 0.00 0.66 0.00 0.00 57.16 57.72 3kx2 n GLU 633 Cb 0.44 -1.96 -0.07 0.00 0.27 0.00 0.00 31.44 30.12 3kx2 n GLU 633 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kx2 s LEU 634 N -0.15 4.59 0.17 4.31 1.43 -1.26 -4.68 118.68 123.09 3kx2 s LEU 634 Ca 0.63 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3kx2 s LEU 634 Cb -0.58 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3kx2 s LEU 634 CO 0.57 -0.78 -0.04 0.20 0.23 0.00 0.00 176.35 176.53 3kx2 s ASN 635 N 2.08 4.57 0.11 2.29 0.01 -1.26 -4.86 114.94 117.89 3kx2 s ASN 635 Ca 0.21 -0.46 -0.22 0.00 -0.71 0.00 0.00 52.86 51.67 3kx2 s ASN 635 Cb -0.15 -0.90 0.06 0.00 0.41 0.00 0.00 41.25 40.66 3kx2 s ASN 635 CO 0.18 0.10 0.55 0.28 -1.51 0.00 0.00 177.10 176.70 3kx2 s THR 636 N -1.70 0.02 0.21 1.60 -1.32 -1.25 -0.46 115.64 112.73 3kx2 s THR 636 Ca 0.26 -0.16 0.10 0.00 -1.21 0.00 0.00 61.69 60.68 3kx2 s THR 636 Cb -0.09 -1.03 -0.05 0.00 -1.51 0.00 0.00 72.50 69.83 3kx2 s THR 636 CO 0.17 -0.09 -0.19 0.42 -2.21 0.00 0.00 174.62 172.72 3kx2 s THR 637 N -3.23 2.07 0.11 5.08 -4.23 -1.18 -4.86 115.64 109.41 3kx2 s THR 637 Ca -0.01 -2.12 -0.35 0.00 -1.18 0.00 0.00 61.69 58.03 3kx2 s THR 637 Cb -0.00 -2.05 -0.14 0.00 1.34 0.00 0.00 72.50 71.64 3kx2 s THR 637 CO -0.08 -0.35 1.56 -0.67 -0.54 0.00 0.00 174.62 174.54 3kx2 n ASP 638 N -0.07 2.79 0.09 3.99 4.64 -1.26 -4.85 116.55 121.88 3kx2 n ASP 638 Ca -0.10 1.08 0.20 0.00 -1.38 0.00 0.00 54.79 54.59 3kx2 n ASP 638 Cb 0.58 -1.36 0.75 0.00 -1.04 0.00 0.00 41.12 40.05 3kx2 n ASP 638 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3kx2 h TYR 639 N 5.99 0.00 0.00 -0.67 5.03 -2.00 -1.57 116.97 123.74 3kx2 h TYR 639 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 3kx2 h TYR 639 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.55 3kx2 h TYR 639 CO 0.65 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 177.88 3kx2 n GLU 640 N -3.91 0.14 -2.42 1.82 -0.58 -1.26 -4.83 120.64 109.59 3kx2 n GLU 640 Ca 0.07 0.20 -0.43 0.00 -0.42 0.00 0.00 57.16 56.59 3kx2 n GLU 640 Cb 0.56 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 3kx2 n GLU 640 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3kx2 s SER 641 N -3.83 6.98 0.23 1.62 0.15 -0.59 -4.90 113.70 113.36 3kx2 s SER 641 Ca 0.10 1.77 0.08 0.00 0.70 0.00 0.00 55.95 58.60 3kx2 s SER 641 Cb 0.13 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.33 3kx2 s SER 641 CO 0.49 -0.69 1.09 -0.81 1.20 0.00 0.00 173.24 174.52 3kx2 n PRO 642 N 5.97 0.06 0.00 5.44 -0.04 -1.26 0.13 135.00 145.30 3kx2 n PRO 642 Ca 0.13 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 3kx2 n PRO 642 Cb 0.45 -2.01 0.12 0.00 -0.04 0.00 0.00 33.50 32.02 3kx2 n PRO 642 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kx2 n LYS 643 N -1.79 1.21 -0.00 0.54 5.02 -1.26 -4.62 118.16 117.25 3kx2 n LYS 643 Ca -0.01 -0.93 -0.03 0.00 -2.02 0.00 0.00 58.31 55.33 3kx2 n LYS 643 Cb 0.34 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3kx2 n LYS 643 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3kx2 h TYR 644 N 2.28 -0.27 0.00 2.13 3.20 0.79 0.35 116.97 125.45 3kx2 h TYR 644 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3kx2 h TYR 644 Cb 0.70 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3kx2 h TYR 644 CO 0.00 -0.09 -0.32 0.74 -1.64 0.00 0.00 178.16 176.85 3kx2 h PHE 645 N -0.09 0.00 0.08 -3.82 0.04 -1.82 -2.56 116.94 108.77 3kx2 h PHE 645 Ca 0.01 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3kx2 h PHE 645 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3kx2 h PHE 645 CO -0.48 0.32 -0.11 -0.44 -0.60 0.00 0.00 178.31 176.99 3kx2 h ASP 646 N 0.00 -0.31 -0.94 2.17 5.19 -1.59 -1.87 116.42 119.08 3kx2 h ASP 646 Ca -0.00 0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.54 3kx2 h ASP 646 Cb 0.59 0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.14 3kx2 h ASP 646 CO 0.04 -0.17 0.58 0.78 -3.12 0.00 0.00 179.24 177.35 3kx2 h ASN 647 N -0.24 0.88 -0.35 6.45 -0.26 -0.53 -1.01 115.58 120.51 3kx2 h ASN 647 Ca 0.02 0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.72 3kx2 h ASN 647 Cb 0.24 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3kx2 h ASN 647 CO -0.06 0.51 -0.04 0.40 -1.06 0.00 0.00 177.43 177.18 3kx2 h ILE 648 N 0.98 1.27 -0.36 2.81 2.04 -1.43 -1.33 117.51 121.48 3kx2 h ILE 648 Ca 0.44 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3kx2 h ILE 648 Cb 0.34 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3kx2 h ILE 648 CO -0.23 0.35 0.02 0.03 0.00 0.00 0.00 178.15 178.33 3kx2 h ARG 649 N 0.45 0.56 -0.13 2.37 3.08 -0.68 -1.44 114.38 118.60 3kx2 h ARG 649 Ca 0.10 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3kx2 h ARG 649 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3kx2 h ARG 649 CO 0.03 0.57 -0.23 0.87 -1.07 0.00 0.00 179.97 180.13 3kx2 h LYS 650 N 0.54 0.38 -0.59 0.04 1.57 -0.95 -1.00 116.57 116.56 3kx2 h LYS 650 Ca 0.12 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3kx2 h LYS 650 Cb 0.31 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3kx2 h LYS 650 CO 0.01 0.83 0.32 0.00 -0.57 0.00 0.00 179.45 180.04 3kx2 h ALA 651 N 0.54 0.77 -0.27 3.86 0.00 -1.10 0.58 119.26 123.64 3kx2 h ALA 651 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3kx2 h ALA 651 Cb 0.81 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3kx2 h ALA 651 CO 0.05 -0.01 -0.11 1.25 0.00 0.00 0.00 179.25 180.44 3kx2 h LEU 652 N 0.61 -0.37 -0.84 0.00 5.85 -1.17 -2.43 115.31 116.96 3kx2 h LEU 652 Ca 0.26 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.16 3kx2 h LEU 652 Cb 0.14 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3kx2 h LEU 652 CO -0.16 -0.14 0.50 0.00 -0.34 0.00 0.00 178.44 178.30 3kx2 h ALA 653 N 1.19 1.18 -0.31 1.25 0.00 -0.09 -0.08 119.26 122.40 3kx2 h ALA 653 Ca 0.14 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3kx2 h ALA 653 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kx2 h ALA 653 CO -0.31 0.17 0.24 0.66 0.00 0.00 0.00 179.25 180.01 3kx2 h SER 654 N 0.86 0.00 0.08 0.00 4.64 -0.41 -0.76 113.55 117.96 3kx2 h SER 654 Ca 0.39 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.35 3kx2 h SER 654 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 3kx2 h SER 654 CO -0.22 0.00 -2.29 0.61 -0.87 0.00 0.00 176.83 174.06 3kx2 n GLY 655 N -1.56 -0.83 0.72 -0.77 0.00 -0.74 -4.66 105.19 97.36 3kx2 n GLY 655 Ca 0.05 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3kx2 n GLY 655 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kx2 n PHE 656 N -2.95 0.75 0.20 1.61 3.72 -0.12 -4.68 117.46 115.99 3kx2 n PHE 656 Ca -0.34 -0.91 0.12 0.00 -0.05 0.00 0.00 57.45 56.28 3kx2 n PHE 656 Cb 1.10 -0.28 0.66 0.00 -0.94 0.00 0.00 39.48 40.01 3kx2 n PHE 656 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3kx2 h PHE 657 N 1.43 0.00 -0.01 1.38 -0.00 -1.38 0.23 116.94 118.59 3kx2 h PHE 657 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3kx2 h PHE 657 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.31 3kx2 h PHE 657 CO 0.40 0.00 -0.20 -1.33 -0.00 0.00 0.00 178.31 177.18 3kx2 n MET 658 N -2.35 1.24 -3.32 6.09 2.81 -1.26 -4.30 117.12 116.03 3kx2 n MET 658 Ca -0.01 -0.81 -0.29 0.00 -1.81 0.00 0.00 57.70 54.78 3kx2 n MET 658 Cb 0.05 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 3kx2 n MET 658 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3kx2 n GLN 659 N -0.18 2.88 -4.82 0.03 6.02 0.83 -4.49 117.38 117.65 3kx2 n GLN 659 Ca 0.14 -4.68 -0.27 0.00 -0.01 0.00 0.00 57.00 52.18 3kx2 n GLN 659 Cb 0.39 -2.29 -0.15 0.00 1.02 0.00 0.00 30.24 29.21 3kx2 n GLN 659 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kx2 s VAL 660 N -2.72 1.79 0.01 5.09 1.01 -1.26 -1.23 120.40 123.10 3kx2 s VAL 660 Ca 0.40 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3kx2 s VAL 660 Cb 0.15 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3kx2 s VAL 660 CO -0.01 0.32 -0.15 0.00 0.00 0.00 0.00 175.10 175.26 3kx2 s ALA 661 N -0.72 1.25 -0.04 5.51 0.00 0.13 -0.86 121.76 127.03 3kx2 s ALA 661 Ca 0.09 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3kx2 s ALA 661 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3kx2 s ALA 661 CO 0.01 0.28 -0.12 0.21 0.00 0.00 0.00 175.76 176.14 3kx2 s LYS 662 N -0.70 2.51 0.04 0.00 2.36 0.21 -1.23 119.74 122.93 3kx2 s LYS 662 Ca 0.04 -0.70 -0.30 0.00 -2.55 0.00 0.00 55.97 52.46 3kx2 s LYS 662 Cb -0.07 -2.41 -0.08 0.00 -1.05 0.00 0.00 37.83 34.22 3kx2 s LYS 662 CO 0.00 0.62 1.80 0.21 1.55 0.00 0.00 175.35 179.53 3kx2 s LYS 663 N -0.90 4.16 0.02 4.03 2.20 0.11 -0.45 119.74 128.91 3kx2 s LYS 663 Ca 0.13 2.45 -0.30 0.00 -0.36 0.00 0.00 55.97 57.88 3kx2 s LYS 663 Cb -0.11 -3.88 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 3kx2 s LYS 663 CO 0.02 -0.86 1.83 1.03 -0.36 0.00 0.00 175.35 177.01 3kx2 s ARG 664 N 3.61 4.16 0.05 4.03 1.81 0.23 -4.89 118.95 127.96 3kx2 s ARG 664 Ca 0.80 2.45 -0.20 0.00 -1.72 0.00 0.00 55.73 57.07 3kx2 s ARG 664 Cb -0.40 -4.02 -0.13 0.00 -0.45 0.00 0.00 34.95 29.96 3kx2 s ARG 664 CO 0.36 -0.89 1.40 0.66 -0.68 0.00 0.00 175.30 176.15 3kx2 h SER 665 N 9.91 0.38 0.12 0.23 4.64 -1.92 -2.94 113.55 123.97 3kx2 h SER 665 Ca -0.45 -0.42 -0.35 0.00 -0.47 0.00 0.00 61.79 60.09 3kx2 h SER 665 Cb 1.21 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3kx2 h SER 665 CO 0.94 0.72 -1.93 0.61 -0.87 0.00 0.00 176.83 176.30 3kx2 n GLY 666 N 0.01 -0.58 0.39 -0.77 0.00 -1.26 -4.30 105.19 98.68 3kx2 n GLY 666 Ca -0.05 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3kx2 n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx2 n ALA 667 N -3.03 2.63 -2.66 4.61 0.00 -1.26 -4.92 120.51 115.88 3kx2 n ALA 667 Ca -0.32 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 3kx2 n ALA 667 Cb 1.02 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 3kx2 n ALA 667 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kx2 n LYS 668 N -0.07 -2.60 0.00 0.00 5.02 -1.11 -4.92 118.16 114.48 3kx2 n LYS 668 Ca 0.19 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 3kx2 n LYS 668 Cb 0.32 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3kx2 n LYS 668 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx2 n GLY 669 N -0.84 5.85 3.21 0.72 0.00 -1.26 -4.91 105.19 107.96 3kx2 n GLY 669 Ca -0.09 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.85 3kx2 n GLY 669 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kx2 s TYR 670 N 1.68 1.31 -0.04 1.61 2.02 -0.41 0.74 117.35 124.27 3kx2 s TYR 670 Ca 0.00 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3kx2 s TYR 670 Cb 0.00 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 40.86 3kx2 s TYR 670 CO 0.00 0.10 -0.13 -1.50 -1.57 0.00 0.00 175.55 172.44 3kx2 s ILE 671 N -1.83 1.13 0.15 2.71 1.10 0.40 -0.29 121.20 124.58 3kx2 s ILE 671 Ca 0.04 -0.55 -0.22 0.00 -0.51 0.00 0.00 60.65 59.42 3kx2 s ILE 671 Cb -0.07 -0.99 -0.08 0.00 0.15 0.00 0.00 42.46 41.47 3kx2 s ILE 671 CO 0.02 0.34 0.70 0.42 -2.11 0.00 0.00 174.94 174.31 3kx2 s THR 672 N 0.17 4.53 0.14 4.00 -4.23 0.60 0.66 115.64 121.50 3kx2 s THR 672 Ca -0.05 1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 61.74 3kx2 s THR 672 Cb -0.11 -4.00 -0.00 0.00 1.34 0.00 0.00 72.50 69.73 3kx2 s THR 672 CO 0.02 0.47 1.72 0.58 -0.54 0.00 0.00 174.62 176.87 3kx2 h VAL 673 N 3.27 0.84 -3.39 2.29 2.07 -1.34 -2.89 116.25 117.09 3kx2 h VAL 673 Ca -0.48 -0.04 -0.59 0.00 0.82 0.00 0.00 66.70 66.41 3kx2 h VAL 673 Cb 1.21 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 3kx2 h VAL 673 CO 0.65 0.02 0.19 -0.75 0.02 0.00 0.00 177.57 177.70 3kx2 s LYS 674 N -6.18 4.23 0.00 1.57 2.20 -1.26 -3.94 119.74 116.35 3kx2 s LYS 674 Ca -0.13 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 3kx2 s LYS 674 Cb 0.11 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3kx2 s LYS 674 CO 0.70 -0.27 0.00 -0.25 -0.36 0.00 0.00 175.35 175.17 3kx2 n ASP 675 N 5.12 0.00 -3.54 1.43 8.00 -1.26 -4.27 116.55 122.03 3kx2 n ASP 675 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 3kx2 n ASP 675 Cb 0.49 -0.28 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 3kx2 n ASP 675 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kx2 n ASN 676 N 0.00 -5.78 -4.85 -2.24 5.03 -1.09 -4.96 115.26 101.36 3kx2 n ASN 676 Ca 0.00 -0.92 -0.37 0.00 0.87 0.00 0.00 54.58 54.16 3kx2 n ASN 676 Cb 0.00 -3.97 -0.06 0.00 -1.02 0.00 0.00 39.78 34.72 3kx2 n ASN 676 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3kx2 s GLN 677 N -5.47 3.57 -0.00 3.52 2.00 -1.24 -4.80 119.66 117.25 3kx2 s GLN 677 Ca 0.47 -0.13 -0.29 0.00 -2.00 0.00 0.00 55.36 53.42 3kx2 s GLN 677 Cb -0.14 -3.23 -0.03 0.00 0.80 0.00 0.00 33.01 30.41 3kx2 s GLN 677 CO 0.82 0.70 0.93 -0.51 -0.50 0.00 0.00 175.29 176.73 3kx2 s ASP 678 N -0.81 7.31 0.08 6.67 -0.00 -1.26 -0.29 116.67 128.37 3kx2 s ASP 678 Ca 0.14 1.59 -0.08 0.00 -0.00 0.00 0.00 52.55 54.20 3kx2 s ASP 678 Cb -0.12 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.25 3kx2 s ASP 678 CO 0.03 -0.22 0.17 0.68 -0.00 0.00 0.00 175.17 175.83 3kx2 s VAL 679 N 0.90 0.15 0.03 -1.27 -7.23 0.60 -4.74 120.40 108.83 3kx2 s VAL 679 Ca 0.49 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 3kx2 s VAL 679 Cb -0.21 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 3kx2 s VAL 679 CO 0.26 -0.66 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.53 3kx2 s LEU 680 N -2.74 3.03 0.13 1.32 1.02 -0.13 -1.29 118.68 120.03 3kx2 s LEU 680 Ca 0.04 -0.24 -0.31 0.00 0.02 0.00 0.00 54.13 53.63 3kx2 s LEU 680 Cb 0.04 -1.76 -0.11 0.00 0.02 0.00 0.00 46.19 44.38 3kx2 s LEU 680 CO -0.10 0.26 1.84 -0.38 0.02 0.00 0.00 176.35 177.99 3kx2 n ILE 681 N 1.43 0.35 -1.66 -0.59 2.08 -1.26 -0.79 119.36 118.91 3kx2 n ILE 681 Ca -0.15 -0.06 -0.44 0.00 0.56 0.00 0.00 62.75 62.66 3kx2 n ILE 681 Cb 0.52 -2.13 -0.01 0.00 -0.75 0.00 0.00 39.64 37.27 3kx2 n ILE 681 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3kx2 n HIS 682 N 5.56 1.95 0.04 1.39 -0.00 0.22 -4.81 115.22 119.57 3kx2 n HIS 682 Ca 0.18 0.57 0.21 0.00 0.46 0.00 0.00 57.72 59.15 3kx2 n HIS 682 Cb 0.37 -2.37 0.65 0.00 -0.12 0.00 0.00 29.99 28.52 3kx2 n HIS 682 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kx2 h PRO 683 N 2.77 0.00 0.00 1.57 0.11 -1.90 -2.49 132.00 132.06 3kx2 h PRO 683 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kx2 h PRO 683 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kx2 h PRO 683 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3kx2 n SER 684 N -3.46 0.00 -4.07 -2.05 3.41 -1.26 -4.70 113.62 101.50 3kx2 n SER 684 Ca 0.11 0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.84 3kx2 n SER 684 Cb 0.86 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 3kx2 n SER 684 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kx2 s THR 685 N -2.83 0.98 -0.36 6.66 2.01 -0.94 -5.08 115.64 116.09 3kx2 s THR 685 Ca 0.09 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 3kx2 s THR 685 Cb 0.09 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 3kx2 s THR 685 CO 0.23 0.28 0.25 0.68 -0.69 0.00 0.00 174.62 175.38 3kx2 s VAL 686 N -0.12 5.28 0.30 3.82 -7.23 -1.26 -4.84 120.40 116.35 3kx2 s VAL 686 Ca 0.02 -0.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 3kx2 s VAL 686 Cb -0.07 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.01 3kx2 s VAL 686 CO 0.00 -0.08 1.36 -1.48 -0.31 0.00 0.00 175.10 174.60 3kx2 s LEU 687 N 1.71 4.40 0.53 1.32 2.34 -1.26 -4.58 118.68 123.14 3kx2 s LEU 687 Ca 0.06 2.70 -0.00 0.00 0.06 0.00 0.00 54.13 56.95 3kx2 s LEU 687 Cb -0.18 -3.64 0.02 0.00 -0.56 0.00 0.00 46.19 41.83 3kx2 s LEU 687 CO 0.10 -0.62 0.77 -0.83 -1.06 0.00 0.00 176.35 174.72 3kx2 s GLY 688 N -0.16 1.70 0.22 -3.48 0.00 -1.26 -5.03 107.32 99.32 3kx2 s GLY 688 Ca 0.53 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 3kx2 s GLY 688 CO 0.50 -0.89 1.67 0.84 0.00 0.00 0.00 173.10 175.23 3kx2 h HIS 689 N 0.11 0.97 -0.07 1.90 2.76 -2.04 -2.95 115.15 115.82 3kx2 h HIS 689 Ca -0.44 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 3kx2 h HIS 689 Cb 1.28 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.99 3kx2 h HIS 689 CO 0.41 0.92 0.00 -0.25 -1.30 0.00 0.00 177.93 177.71 3kx2 n ASP 690 N -4.16 0.64 -3.68 3.26 8.00 -1.26 -4.52 116.55 114.82 3kx2 n ASP 690 Ca 0.02 -1.61 -0.41 0.00 0.71 0.00 0.00 54.79 53.50 3kx2 n ASP 690 Cb 0.37 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3kx2 n ASP 690 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kx2 n ALA 691 N -0.33 6.07 -0.13 2.24 0.00 -1.12 -4.71 120.51 122.54 3kx2 n ALA 691 Ca 0.13 -4.27 -0.13 0.00 0.00 0.00 0.00 53.44 49.17 3kx2 n ALA 691 Cb 0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 3kx2 n ALA 691 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kx2 h GLU 692 N 5.09 0.95 -5.62 0.00 4.11 -1.87 -3.43 114.58 113.81 3kx2 h GLU 692 Ca 0.53 -0.48 -0.67 0.00 0.07 0.00 0.00 59.36 58.81 3kx2 h GLU 692 Cb 0.46 0.01 -0.27 0.00 0.50 0.00 0.00 28.75 29.44 3kx2 h GLU 692 CO 1.51 1.14 -0.80 -1.58 0.07 0.00 0.00 179.01 179.35 3kx2 s TRP 693 N -4.46 2.71 0.04 2.06 0.52 -1.26 0.05 118.94 118.60 3kx2 s TRP 693 Ca -0.11 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.45 3kx2 s TRP 693 Cb 0.11 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 3kx2 s TRP 693 CO 0.88 -0.16 -0.14 0.14 0.02 0.00 0.00 176.95 177.69 3kx2 s VAL 694 N 0.05 1.13 -0.14 4.03 -7.23 -0.36 -0.31 120.40 117.58 3kx2 s VAL 694 Ca -0.06 -1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3kx2 s VAL 694 Cb -0.15 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 3kx2 s VAL 694 CO 0.05 -0.01 0.30 -0.63 -0.31 0.00 0.00 175.10 174.50 3kx2 s ILE 695 N -0.89 5.29 0.06 -0.62 1.01 0.71 -0.69 121.20 126.08 3kx2 s ILE 695 Ca 0.01 0.57 0.09 0.00 0.00 0.00 0.00 60.65 61.32 3kx2 s ILE 695 Cb -0.08 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3kx2 s ILE 695 CO 0.01 0.42 -0.23 -0.72 0.00 0.00 0.00 174.94 174.43 3kx2 s TYR 696 N 0.21 2.42 0.03 3.97 1.13 -0.37 -0.95 117.35 123.79 3kx2 s TYR 696 Ca 0.17 -0.34 0.05 0.00 -1.41 0.00 0.00 57.07 55.54 3kx2 s TYR 696 Cb -0.13 -1.39 -0.24 0.00 -1.10 0.00 0.00 41.96 39.10 3kx2 s TYR 696 CO 0.05 0.23 0.93 -0.97 -2.51 0.00 0.00 175.55 173.28 3kx2 h ASN 697 N 4.47 0.14 -4.89 -0.18 -0.00 -0.94 -3.45 115.58 110.72 3kx2 h ASN 697 Ca -0.48 -0.20 -0.13 0.00 -0.00 0.00 0.00 56.30 55.49 3kx2 h ASN 697 Cb 1.15 -0.04 -0.21 0.00 -0.00 0.00 0.00 38.32 39.22 3kx2 h ASN 697 CO 0.44 1.16 -0.36 -0.70 -0.00 0.00 0.00 177.43 177.97 3kx2 s GLU 698 N -2.64 0.57 -0.28 6.67 2.12 -1.00 -5.02 118.70 119.12 3kx2 s GLU 698 Ca -0.04 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 3kx2 s GLU 698 Cb 0.08 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.75 3kx2 s GLU 698 CO 0.83 -0.15 0.02 0.12 -0.54 0.00 0.00 175.26 175.54 3kx2 s PHE 699 N -1.23 3.15 -0.14 5.30 5.36 -1.26 -1.46 117.98 127.70 3kx2 s PHE 699 Ca -0.13 -1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 54.42 3kx2 s PHE 699 Cb -0.06 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 3kx2 s PHE 699 CO 0.03 -0.69 -0.05 0.54 -1.46 0.00 0.00 175.22 173.59 3kx2 s VAL 700 N 1.38 3.77 -0.63 3.12 0.11 -0.58 -4.81 120.40 122.75 3kx2 s VAL 700 Ca -0.00 -0.41 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 3kx2 s VAL 700 Cb -0.18 -2.62 0.15 0.00 -1.53 0.00 0.00 36.38 32.20 3kx2 s VAL 700 CO -0.01 0.52 0.40 -0.76 -3.33 0.00 0.00 175.10 171.92 3kx2 s LEU 701 N 0.16 4.60 0.00 2.54 1.02 -1.26 -1.21 118.68 124.52 3kx2 s LEU 701 Ca -0.02 -3.53 0.00 0.00 0.02 0.00 0.00 54.13 50.60 3kx2 s LEU 701 Cb -0.14 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3kx2 s LEU 701 CO 0.03 -0.14 0.00 1.07 0.02 0.00 0.00 176.35 177.33 3kx2 n THR 702 N 2.41 0.00 -0.03 5.49 5.66 -1.26 -4.93 114.28 121.63 3kx2 n THR 702 Ca 0.14 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.12 3kx2 n THR 702 Cb 0.34 -0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 3kx2 n THR 702 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3kx2 n SER 703 N 0.00 3.53 -4.89 1.09 2.88 -1.26 -5.03 113.62 109.94 3kx2 n SER 703 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3kx2 n SER 703 Cb 0.00 0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 64.15 3kx2 n SER 703 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kx2 s LYS 704 N -2.17 2.31 -0.37 -1.46 1.02 -1.26 -5.11 119.74 112.69 3kx2 s LYS 704 Ca -0.03 -1.90 -0.16 0.00 0.02 0.00 0.00 55.97 53.91 3kx2 s LYS 704 Cb 0.02 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 3kx2 s LYS 704 CO 0.25 -0.50 0.36 -0.80 -0.92 0.00 0.00 175.35 173.74 3kx2 s ASN 705 N -4.23 6.16 0.19 2.83 0.01 -1.26 -4.45 114.94 114.19 3kx2 s ASN 705 Ca 0.38 -0.47 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 3kx2 s ASN 705 Cb -0.02 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 3kx2 s ASN 705 CO 0.23 -0.41 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.03 3kx2 s TYR 706 N 1.98 2.69 -0.18 2.20 2.02 -0.35 -0.95 117.35 124.75 3kx2 s TYR 706 Ca 0.10 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3kx2 s TYR 706 Cb -0.17 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 3kx2 s TYR 706 CO 0.12 0.53 -0.18 0.42 -1.57 0.00 0.00 175.55 174.86 3kx2 s ILE 707 N -1.80 2.23 0.04 2.71 1.01 0.03 -1.53 121.20 123.90 3kx2 s ILE 707 Ca 0.26 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 60.11 3kx2 s ILE 707 Cb -0.09 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3kx2 s ILE 707 CO 0.17 0.53 -0.26 -0.60 0.00 0.00 0.00 174.94 174.77 3kx2 s ARG 708 N 1.20 1.85 -0.36 2.79 3.52 -0.54 -0.61 118.95 126.80 3kx2 s ARG 708 Ca 0.02 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.42 3kx2 s ARG 708 Cb -0.14 -1.99 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 3kx2 s ARG 708 CO -0.09 0.52 0.49 2.41 -0.81 0.00 0.00 175.30 177.81 3kx2 n THR 709 N 1.86 -9.26 -4.32 4.11 -1.04 -1.26 -2.37 114.28 102.00 3kx2 n THR 709 Ca -0.17 0.67 -0.30 0.00 -2.04 0.00 0.00 64.05 62.21 3kx2 n THR 709 Cb 0.52 -6.63 -0.10 0.00 -1.82 0.00 0.00 70.33 62.29 3kx2 n THR 709 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3kx2 s VAL 710 N -2.33 3.33 -0.02 12.58 -7.23 -1.26 -1.60 120.40 123.86 3kx2 s VAL 710 Ca 0.19 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3kx2 s VAL 710 Cb -0.05 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.39 3kx2 s VAL 710 CO 0.62 0.19 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.69 3kx2 s THR 711 N -1.14 0.21 0.50 5.32 2.01 -0.12 -1.05 115.64 121.38 3kx2 s THR 711 Ca 0.20 -0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 3kx2 s THR 711 Cb -0.11 -0.26 -0.06 0.00 0.01 0.00 0.00 72.50 72.08 3kx2 s THR 711 CO 0.11 0.12 1.22 -0.94 -0.69 0.00 0.00 174.62 174.44 3kx2 s SER 712 N 0.59 5.78 -0.04 3.53 1.04 -0.40 -0.20 113.70 124.00 3kx2 s SER 712 Ca -0.06 2.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.75 3kx2 s SER 712 Cb -0.09 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.43 3kx2 s SER 712 CO -0.01 -1.19 0.12 0.54 0.98 0.00 0.00 173.24 173.68 3kx2 s VAL 713 N -1.51 0.02 0.03 5.02 0.11 0.58 -4.81 120.40 119.84 3kx2 s VAL 713 Ca 0.68 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 59.29 3kx2 s VAL 713 Cb -0.31 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3kx2 s VAL 713 CO 0.37 -0.07 1.24 -0.13 -3.33 0.00 0.00 175.10 173.18 3kx2 s ARG 714 N -0.20 4.38 0.32 1.54 0.52 -1.26 -4.19 118.95 120.07 3kx2 s ARG 714 Ca -0.03 1.79 0.05 0.00 -0.52 0.00 0.00 55.73 57.02 3kx2 s ARG 714 Cb -0.02 -3.42 0.68 0.00 0.52 0.00 0.00 34.95 32.70 3kx2 s ARG 714 CO 0.00 -0.36 1.88 -1.35 0.02 0.00 0.00 175.30 175.49 3kx2 h PRO 715 N 7.11 0.83 -0.03 3.54 0.11 -2.00 0.14 132.00 141.69 3kx2 h PRO 715 Ca -0.39 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3kx2 h PRO 715 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3kx2 h PRO 715 CO 0.84 0.55 0.02 0.93 -0.21 0.00 0.00 178.00 180.14 3kx2 h GLU 716 N 0.86 0.00 -0.29 1.05 3.07 -1.95 -1.39 114.58 115.92 3kx2 h GLU 716 Ca 0.44 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.19 3kx2 h GLU 716 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3kx2 h GLU 716 CO -0.20 0.00 -0.25 -1.49 -1.40 0.00 0.00 179.01 175.67 3kx2 h TRP 717 N 0.00 0.81 -0.36 4.33 6.55 -1.36 -0.72 115.95 125.21 3kx2 h TRP 717 Ca 0.01 -0.24 0.03 0.00 0.95 0.00 0.00 58.89 59.65 3kx2 h TRP 717 Cb 0.06 -0.17 -0.03 0.00 -0.86 0.00 0.00 29.16 28.16 3kx2 h TRP 717 CO 0.00 0.97 0.17 -0.07 -1.05 0.00 0.00 178.44 178.46 3kx2 h LEU 718 N 0.43 0.25 -0.64 -4.49 3.38 -1.21 0.22 115.31 113.24 3kx2 h LEU 718 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3kx2 h LEU 718 Cb 0.81 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3kx2 h LEU 718 CO 0.06 0.18 0.10 0.40 0.09 0.00 0.00 178.44 179.28 3kx2 h ILE 719 N 0.36 1.26 -0.16 1.22 2.04 -1.39 0.72 117.51 121.56 3kx2 h ILE 719 Ca 0.15 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.88 3kx2 h ILE 719 Cb 0.07 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3kx2 h ILE 719 CO -0.11 0.38 -0.37 -0.08 0.00 0.00 0.00 178.15 177.97 3kx2 h GLU 720 N 0.98 0.34 0.04 2.37 4.81 -0.73 -3.01 114.58 119.38 3kx2 h GLU 720 Ca 0.19 -0.15 -0.33 0.00 -0.13 0.00 0.00 59.36 58.94 3kx2 h GLU 720 Cb 0.44 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3kx2 h GLU 720 CO 0.01 0.66 -1.92 -0.89 -0.73 0.00 0.00 179.01 176.15 3kx2 n ILE 721 N -4.05 1.64 -3.16 2.32 5.41 0.73 -4.55 119.36 117.70 3kx2 n ILE 721 Ca -0.01 -0.74 -0.23 0.00 1.00 0.00 0.00 62.75 62.77 3kx2 n ILE 721 Cb 0.46 -1.24 -0.05 0.00 -0.71 0.00 0.00 39.64 38.11 3kx2 n ILE 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kx2 n ALA 722 N -2.76 2.97 -0.22 -1.39 0.00 0.22 -4.66 120.51 114.67 3kx2 n ALA 722 Ca -0.25 -3.87 0.09 0.00 0.00 0.00 0.00 53.44 49.41 3kx2 n ALA 722 Cb 1.06 -0.85 0.37 0.00 0.00 0.00 0.00 19.45 20.02 3kx2 n ALA 722 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kx2 h PRO 723 N 3.37 0.70 -0.21 0.00 0.11 -1.71 -0.54 132.00 133.72 3kx2 h PRO 723 Ca 0.11 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 3kx2 h PRO 723 Cb 0.80 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3kx2 h PRO 723 CO 0.61 0.46 -0.29 0.00 -0.21 0.00 0.00 178.00 178.57 3kx2 h ALA 724 N 1.60 1.11 0.22 -0.75 0.00 -1.89 -3.13 119.26 116.42 3kx2 h ALA 724 Ca 0.38 -0.36 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 3kx2 h ALA 724 Cb 0.49 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.19 3kx2 h ALA 724 CO -0.15 0.56 -1.57 -0.92 0.00 0.00 0.00 179.25 177.18 3kx2 h TYR 725 N 0.36 0.85 -1.28 0.00 5.03 -1.68 -3.35 116.97 116.90 3kx2 h TYR 725 Ca 0.05 -0.62 -0.57 0.00 2.58 0.00 0.00 58.73 60.18 3kx2 h TYR 725 Cb 0.70 -0.03 -0.20 0.00 1.55 0.00 0.00 36.73 38.75 3kx2 h TYR 725 CO 0.02 1.58 0.59 0.66 -1.32 0.00 0.00 178.16 179.69 3kx2 n TYR 726 N -3.65 1.93 -3.70 -3.82 4.01 -0.30 -4.85 117.16 106.78 3kx2 n TYR 726 Ca -0.19 -2.04 -0.39 0.00 -0.16 0.00 0.00 57.90 55.12 3kx2 n TYR 726 Cb 1.09 -1.35 -0.12 0.00 -0.31 0.00 0.00 39.34 38.65 3kx2 n TYR 726 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kx2 s ASP 727 N 0.03 5.42 0.65 7.72 3.68 -1.20 -4.90 116.67 128.05 3kx2 s ASP 727 Ca 0.57 -0.90 0.31 0.00 2.13 0.00 0.00 52.55 54.67 3kx2 s ASP 727 Cb 0.39 -1.94 1.70 0.00 -1.45 0.00 0.00 42.92 41.63 3kx2 s ASP 727 CO -0.26 -0.29 1.98 -0.07 0.13 0.00 0.00 175.17 176.66 3kx2 h LEU 728 N 8.30 0.00 -0.81 -1.34 4.07 -1.91 -1.90 115.31 121.72 3kx2 h LEU 728 Ca -0.27 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.79 3kx2 h LEU 728 Cb 1.11 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.77 3kx2 h LEU 728 CO 0.62 0.00 0.45 0.28 -1.08 0.00 0.00 178.44 178.71 3kx2 h SER 729 N 0.00 0.62 -0.28 -0.43 0.02 -1.93 -0.59 113.55 110.96 3kx2 h SER 729 Ca 0.04 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3kx2 h SER 729 Cb 0.65 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3kx2 h SER 729 CO -0.00 0.34 0.00 -0.46 -1.14 0.00 0.00 176.83 175.57 3kx2 n ASN 730 N -4.78 1.87 -4.71 3.07 2.04 -0.71 -4.86 115.26 107.18 3kx2 n ASN 730 Ca 0.14 -1.87 -0.38 0.00 -0.44 0.00 0.00 54.58 52.03 3kx2 n ASN 730 Cb 0.30 -0.18 -0.06 0.00 -2.53 0.00 0.00 39.78 37.31 3kx2 n ASN 730 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 3kx2 s PHE 731 N -1.63 3.49 1.04 -2.53 0.40 -0.23 -5.07 117.98 113.45 3kx2 s PHE 731 Ca 0.29 0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 57.39 3kx2 s PHE 731 Cb 0.15 -2.59 0.21 0.00 0.51 0.00 0.00 43.02 41.30 3kx2 s PHE 731 CO 0.21 0.11 1.08 -0.65 0.70 0.00 0.00 175.22 176.68 3kx2 s GLN 732 N 0.82 0.10 -0.93 0.44 -0.21 -1.26 -4.88 119.66 113.74 3kx2 s GLN 732 Ca 0.27 0.60 -0.24 0.00 0.02 0.00 0.00 55.36 56.00 3kx2 s GLN 732 Cb -0.15 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 3kx2 s GLN 732 CO 0.11 -2.97 1.85 0.15 -2.12 0.00 0.00 175.29 172.31 3kx2 s LYS 733 N -4.84 2.76 0.00 2.91 -0.14 -1.26 -4.63 119.74 114.53 3kx2 s LYS 733 Ca 0.66 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 3kx2 s LYS 733 Cb -0.20 -5.13 0.00 0.00 -1.68 0.00 0.00 37.83 30.82 3kx2 s LYS 733 CO 0.59 -3.17 0.00 0.41 -0.76 0.00 0.00 175.35 172.42 3kx2 n GLY 734 N 6.82 2.41 0.00 -3.33 0.00 -1.26 -4.97 105.19 104.86 3kx2 n GLY 734 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3kx2 n GLY 734 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kx2 n ASP 735 N 0.99 0.00 0.00 1.61 9.92 -1.26 -3.89 116.55 123.92 3kx2 n ASP 735 Ca 0.00 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 3kx2 n ASP 735 Cb 0.00 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 3kx2 n ASP 735 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kx2 n VAL 736 N -2.53 0.00 0.24 2.53 0.31 -1.26 -4.92 118.33 112.69 3kx2 n VAL 736 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3kx2 n VAL 736 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3kx2 n VAL 736 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3kx2 h LYS 737 N 0.00 -0.59 -0.08 5.55 -0.00 -1.97 0.24 116.57 119.72 3kx2 h LYS 737 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 60.65 60.73 3kx2 h LYS 737 Cb 0.00 0.13 -0.05 0.00 -0.00 0.00 0.00 32.23 32.31 3kx2 h LYS 737 CO 0.00 -0.39 -0.25 1.25 -0.00 0.00 0.00 179.45 180.06 3kx2 h LEU 738 N -0.72 -0.75 -0.40 7.07 6.46 -1.82 0.35 115.31 125.50 3kx2 h LEU 738 Ca -0.06 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3kx2 h LEU 738 Cb 0.47 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 40.64 3kx2 h LEU 738 CO 0.10 -0.30 -0.45 0.28 -0.62 0.00 0.00 178.44 177.45 3kx2 h SER 739 N -0.34 -1.48 1.26 1.25 0.02 -1.66 0.83 113.55 113.44 3kx2 h SER 739 Ca 0.09 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3kx2 h SER 739 Cb 0.46 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3kx2 h SER 739 CO -0.28 -0.38 -0.04 0.00 -1.14 0.00 0.00 176.83 175.00 3kx2 n LEU 740 N -5.41 0.52 0.00 5.07 -0.00 0.83 -2.29 117.00 115.72 3kx2 n LEU 740 Ca -0.01 0.52 -0.13 0.00 -0.00 0.00 0.00 56.01 56.40 3kx2 n LEU 740 Cb 0.35 -0.38 -0.09 0.00 -0.00 0.00 0.00 43.42 43.31 3kx2 n LEU 740 CO 0.04 -0.11 0.72 -0.33 -0.00 0.00 0.00 177.39 177.71 3kx2 h GLU 741 N 0.00 0.02 -0.34 1.47 4.39 0.14 -1.11 114.58 119.15 3kx2 h GLU 741 Ca 0.00 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.76 3kx2 h GLU 741 Cb 0.65 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 3kx2 h GLU 741 CO 0.00 0.34 -0.12 0.00 -1.16 0.00 0.00 179.01 178.06 3kx2 h ARG 742 N -0.30 -0.05 -0.76 2.33 3.08 -0.61 -1.10 114.38 116.97 3kx2 h ARG 742 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3kx2 h ARG 742 Cb 0.33 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3kx2 h ARG 742 CO 0.00 -0.04 0.41 0.82 -1.07 0.00 0.00 179.97 180.09 3kx2 h ILE 743 N -0.06 0.88 -0.15 2.04 2.04 -1.38 0.13 117.51 121.01 3kx2 h ILE 743 Ca 0.17 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3kx2 h ILE 743 Cb 0.31 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3kx2 h ILE 743 CO -0.38 0.13 0.05 0.11 0.00 0.00 0.00 178.15 178.06 3kx2 h LYS 744 N 0.69 0.12 -0.38 2.37 1.79 -0.24 -0.40 116.57 120.52 3kx2 h LYS 744 Ca 0.37 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.80 3kx2 h LYS 744 Cb 0.36 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 3kx2 h LYS 744 CO -0.26 0.08 0.13 0.93 -1.08 0.00 0.00 179.45 179.25 3kx2 h GLU 745 N 0.13 0.59 -0.08 3.15 5.08 -0.18 -0.62 114.58 122.65 3kx2 h GLU 745 Ca 0.06 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3kx2 h GLU 745 Cb 0.04 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 3kx2 h GLU 745 CO -0.07 0.59 -0.36 0.87 -1.00 0.00 0.00 179.01 179.05 3kx2 h LYS 746 N 0.47 -0.45 -0.97 2.33 1.57 -0.62 0.60 116.57 119.51 3kx2 h LYS 746 Ca 0.12 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 3kx2 h LYS 746 Cb 0.24 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 3kx2 h LYS 746 CO -0.01 -0.30 0.61 0.28 -0.57 0.00 0.00 179.45 179.47 3kx2 h VAL 747 N -0.46 0.83 -0.16 0.50 2.07 -0.83 -0.09 116.25 118.11 3kx2 h VAL 747 Ca 0.08 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 3kx2 h VAL 747 Cb 0.59 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kx2 h VAL 747 CO -0.34 0.15 -0.26 -0.78 0.02 0.00 0.00 177.57 176.36 3kx2 h ASP 748 N 0.82 0.50 0.48 0.57 1.82 -0.05 -2.99 116.42 117.58 3kx2 h ASP 748 Ca 0.50 -0.53 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 3kx2 h ASP 748 Cb 0.70 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.57 3kx2 h ASP 748 CO -0.27 0.94 -0.23 0.03 -1.61 0.00 0.00 179.24 178.09 3kx2 h ARG 749 N 0.08 -0.63 -1.73 0.28 3.08 -0.46 -2.71 114.38 112.30 3kx2 h ARG 749 Ca 0.01 0.04 0.51 0.00 0.07 0.00 0.00 59.98 60.61 3kx2 h ARG 749 Cb 0.84 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.95 3kx2 h ARG 749 CO 0.06 -0.41 1.24 -0.07 -1.07 0.00 0.00 179.97 179.71 3kx2 h LEU 750 N -0.66 0.02 -0.02 3.04 4.07 -1.04 0.33 115.31 121.05 3kx2 h LEU 750 Ca -0.07 0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 3kx2 h LEU 750 Cb 0.50 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 3kx2 h LEU 750 CO 0.11 -0.02 -0.73 0.78 -1.08 0.00 0.00 178.44 177.50 3kx2 h ASN 751 N 0.01 0.00 0.12 -0.43 4.21 -1.32 -3.36 115.58 114.81 3kx2 h ASN 751 Ca 0.84 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.34 3kx2 h ASN 751 Cb 3.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.51 3kx2 h ASN 751 CO -0.04 0.73 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.69 3kx2 h GLU 752 N 0.00 -0.16 -0.84 0.81 4.81 -0.34 -3.34 114.58 115.53 3kx2 h GLU 752 Ca -0.01 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3kx2 h GLU 752 Cb 1.55 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.92 3kx2 h GLU 752 CO 0.10 0.09 0.55 1.37 -0.73 0.00 0.00 179.01 180.39 3kx2 h LEU 753 N -0.39 0.93 -0.37 1.64 -0.00 -1.70 -3.25 115.31 112.18 3kx2 h LEU 753 Ca -0.02 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.92 3kx2 h LEU 753 Cb 0.32 -0.22 -0.09 0.00 -0.00 0.00 0.00 40.66 40.67 3kx2 h LEU 753 CO 0.03 0.66 -0.30 0.11 -0.00 0.00 0.00 178.44 178.94 3kx2 h LYS 754 N 1.10 -0.24 0.00 0.17 1.57 -1.74 -3.54 116.57 113.89 3kx2 h LYS 754 Ca 0.32 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3kx2 h LYS 754 Cb -0.07 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3kx2 h LYS 754 CO -0.09 -0.16 0.00 1.04 -0.57 0.00 0.00 179.45 179.67