#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixw h VAL 2 N 0.00 0.41 0.70 1.08 2.07 -1.95 0.12 116.25 118.67 3ixw h VAL 2 Ca 0.00 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3ixw h VAL 2 Cb 0.00 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3ixw h VAL 2 CO 0.00 0.11 -0.33 0.00 0.02 0.00 0.00 177.57 177.36 3ixw h ALA 3 N 1.89 -1.14 -0.12 1.67 0.00 -1.98 -2.75 119.26 116.84 3ixw h ALA 3 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ixw h ALA 3 Cb 0.41 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ixw h ALA 3 CO 0.01 -1.07 0.13 0.38 0.00 0.00 0.00 179.25 178.70 3ixw h ASP 4 N -1.02 0.00 0.20 0.00 2.03 -1.78 0.32 116.42 116.16 3ixw h ASP 4 Ca -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 3ixw h ASP 4 Cb 0.72 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.18 3ixw h ASP 4 CO 0.16 0.00 -0.44 0.50 -1.03 0.00 0.00 179.24 178.42 3ixw h LYS 5 N 0.00 -0.68 -0.56 4.15 1.63 -0.75 -0.38 116.57 119.99 3ixw h LYS 5 Ca 0.06 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.00 3ixw h LYS 5 Cb 0.31 0.15 -0.08 0.00 -0.60 0.00 0.00 32.23 32.02 3ixw h LYS 5 CO -0.00 -0.45 0.13 1.96 -3.45 0.00 0.00 179.45 177.64 3ixw h GLN 6 N -0.70 0.26 0.00 1.90 1.08 -0.77 -2.65 115.11 114.23 3ixw h GLN 6 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3ixw h GLN 6 Cb 0.67 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3ixw h GLN 6 CO -0.19 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 177.86 3ixw n ALA 7 N -2.55 2.13 -0.13 3.87 0.00 -0.07 -2.69 120.51 121.06 3ixw n ALA 7 Ca 0.07 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 3ixw n ALA 7 Cb 0.28 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 3ixw n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ixw n ARG 8 N -1.00 0.55 0.29 0.00 1.74 -0.20 -4.50 116.66 113.54 3ixw n ARG 8 Ca 0.13 0.24 -0.16 0.00 -0.77 0.00 0.00 57.85 57.28 3ixw n ARG 8 Cb 0.06 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 3ixw n ARG 8 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ixw h LEU 9 N -0.88 -0.62 -0.82 0.55 4.07 -1.41 -2.56 115.31 113.63 3ixw h LEU 9 Ca -0.65 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.24 3ixw h LEU 9 Cb 1.59 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 43.45 3ixw h LEU 9 CO -0.38 -0.33 0.40 0.24 -1.08 0.00 0.00 178.44 177.28 3ixw h MET 10 N -0.91 1.19 -1.01 1.13 2.86 -1.80 0.51 114.93 116.91 3ixw h MET 10 Ca -0.08 -0.18 0.23 0.00 -2.06 0.00 0.00 59.70 57.62 3ixw h MET 10 Cb 0.62 -0.21 -0.10 0.00 0.06 0.00 0.00 31.60 31.97 3ixw h MET 10 CO 0.12 0.92 0.63 -1.35 1.06 0.00 0.00 176.91 178.28 3ixw h PRO 11 N 1.17 0.54 -0.42 -0.22 0.11 -1.76 0.23 132.00 131.65 3ixw h PRO 11 Ca 0.28 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 3ixw h PRO 11 Cb 0.12 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3ixw h PRO 11 CO -0.04 0.36 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.85 3ixw h LEU 12 N 0.56 0.83 0.00 2.35 3.38 -0.52 -2.62 115.31 119.28 3ixw h LEU 12 Ca 0.59 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3ixw h LEU 12 Cb 1.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ixw h LEU 12 CO -0.35 1.00 0.00 0.49 0.09 0.00 0.00 178.44 179.67 3ixw n PHE 13 N -4.12 0.00 -2.37 1.13 3.01 -0.48 -4.03 117.46 110.60 3ixw n PHE 13 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.11 3ixw n PHE 13 Cb 0.42 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 3ixw n PHE 13 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3ixw s LYS 14 N -2.12 3.24 0.00 -1.08 1.02 0.69 -3.59 119.74 117.89 3ixw s LYS 14 Ca 0.39 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3ixw s LYS 14 Cb 0.19 -5.29 0.00 0.00 -0.52 0.00 0.00 37.83 32.22 3ixw s LYS 14 CO 0.35 -2.73 0.00 0.72 -0.92 0.00 0.00 175.35 172.77 3ixw n HIS 15 N 10.83 0.00 0.00 3.18 8.25 -1.25 -5.02 115.22 131.21 3ixw n HIS 15 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 3ixw n HIS 15 Cb 0.49 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.35 3ixw n HIS 15 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ixw n LEU 16 N -1.33 0.00 -0.26 2.41 7.94 -1.24 -4.20 117.00 120.32 3ixw n LEU 16 Ca 0.00 0.90 0.09 0.00 -1.11 0.00 0.00 56.01 55.89 3ixw n LEU 16 Cb 0.46 -0.40 0.17 0.00 0.53 0.00 0.00 43.42 44.18 3ixw n LEU 16 CO 0.00 -0.40 0.56 0.41 -1.11 0.00 0.00 177.39 176.85 3ixw n THR 17 N -2.05 -0.32 0.12 1.96 -1.04 -1.26 -1.51 114.28 110.18 3ixw n THR 17 Ca 0.00 1.68 0.08 0.00 -2.04 0.00 0.00 64.05 63.77 3ixw n THR 17 Cb 0.00 -2.40 0.40 0.00 -1.82 0.00 0.00 70.33 66.51 3ixw n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixw n ALA 18 N -3.46 0.96 0.08 2.41 0.00 -1.26 -0.56 120.51 118.68 3ixw n ALA 18 Ca 0.15 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.75 3ixw n ALA 18 Cb 0.50 -1.14 0.35 0.00 0.00 0.00 0.00 19.45 19.16 3ixw n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ixw h LEU 19 N 0.00 0.31 -0.90 0.00 3.38 -1.53 -3.15 115.31 113.41 3ixw h LEU 19 Ca 0.00 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.15 3ixw h LEU 19 Cb 0.10 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 3ixw h LEU 19 CO 0.00 0.45 0.12 0.74 0.09 0.00 0.00 178.44 179.84 3ixw h THR 20 N 0.31 0.19 -3.59 0.22 2.02 -0.94 -3.37 112.91 107.74 3ixw h THR 20 Ca 0.06 -0.03 -0.64 0.00 0.77 0.00 0.00 66.41 66.57 3ixw h THR 20 Cb 0.38 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 66.73 3ixw h THR 20 CO 0.02 0.02 0.01 -0.13 0.37 0.00 0.00 175.52 175.81 3ixw s ARG 21 N -5.98 3.73 0.00 6.66 0.52 -1.19 -3.57 118.95 119.11 3ixw s ARG 21 Ca -0.13 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 3ixw s ARG 21 Cb 0.27 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3ixw s ARG 21 CO 0.77 -0.61 0.00 -1.91 0.02 0.00 0.00 175.30 173.57 3ixw n GLU 22 N 5.79 0.00 -3.73 3.54 0.00 -0.29 -4.97 120.64 120.97 3ixw n GLU 22 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.84 3ixw n GLU 22 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.77 3ixw n GLU 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3ixw s LYS 23 N 4.16 0.67 -0.07 5.31 1.02 -1.11 -4.80 119.74 124.93 3ixw s LYS 23 Ca 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3ixw s LYS 23 Cb 0.00 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3ixw s LYS 23 CO 0.00 -0.70 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.51 3ixw s LEU 24 N 1.82 1.14 0.04 3.17 2.96 -1.26 -4.94 118.68 121.62 3ixw s LEU 24 Ca 0.01 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 3ixw s LEU 24 Cb -0.17 -0.60 -0.33 0.00 0.50 0.00 0.00 46.19 45.58 3ixw s LEU 24 CO -0.11 -0.09 1.04 -0.65 -1.32 0.00 0.00 176.35 175.22 3ixw h PRO 25 N 7.71 0.55 -3.34 0.98 0.11 -2.00 -3.45 132.00 132.57 3ixw h PRO 25 Ca -0.30 -0.87 -0.32 0.00 0.11 0.00 0.00 66.00 64.62 3ixw h PRO 25 Cb 1.14 0.31 -0.36 0.00 0.11 0.00 0.00 31.00 32.21 3ixw h PRO 25 CO 0.40 1.41 -0.70 -0.51 -0.21 0.00 0.00 178.00 178.39 3ixw s LEU 26 N -7.65 0.51 0.44 2.35 1.43 -1.26 -5.04 118.68 109.46 3ixw s LEU 26 Ca -0.09 0.13 0.24 0.00 -1.03 0.00 0.00 54.13 53.39 3ixw s LEU 26 Cb 0.05 0.02 1.25 0.00 0.03 0.00 0.00 46.19 47.53 3ixw s LEU 26 CO 0.94 -0.19 1.77 -2.24 0.23 0.00 0.00 176.35 176.86 3ixw h ASP 27 N 7.87 0.31 -1.42 2.29 2.03 -1.99 -3.25 116.42 122.26 3ixw h ASP 27 Ca -0.28 0.06 0.42 0.00 -0.73 0.00 0.00 57.03 56.50 3ixw h ASP 27 Cb 1.12 0.02 -0.09 0.00 -0.83 0.00 0.00 39.33 39.55 3ixw h ASP 27 CO 0.30 0.04 0.98 0.06 -1.03 0.00 0.00 179.24 179.59 3ixw h GLN 28 N 0.26 0.07 -0.83 4.15 -0.00 -1.97 0.33 115.11 117.13 3ixw h GLN 28 Ca 0.60 -0.00 0.25 0.00 -0.00 0.00 0.00 58.65 59.49 3ixw h GLN 28 Cb 1.78 -0.02 -0.15 0.00 -0.00 0.00 0.00 27.48 29.09 3ixw h GLN 28 CO -0.22 0.05 0.09 0.54 -0.00 0.00 0.00 178.83 179.29 3ixw n ARG 29 N -4.32 -0.06 -3.30 0.06 5.12 -1.23 -2.04 116.66 110.89 3ixw n ARG 29 Ca 0.34 1.23 -0.33 0.00 -1.93 0.00 0.00 57.85 57.16 3ixw n ARG 29 Cb 1.46 -1.99 -0.05 0.00 -1.16 0.00 0.00 32.46 30.72 3ixw n ARG 29 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3ixw n ASP 30 N -5.14 4.72 -0.30 0.55 9.92 0.11 -4.84 116.55 121.57 3ixw n ASP 30 Ca 0.22 -3.41 0.28 0.00 -0.53 0.00 0.00 54.79 51.35 3ixw n ASP 30 Cb 0.71 -0.91 0.51 0.00 -0.64 0.00 0.00 41.12 40.80 3ixw n ASP 30 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3ixw n GLU 31 N 1.12 -0.05 -0.29 -1.24 1.02 -0.86 0.73 120.64 121.07 3ixw n GLU 31 Ca 0.28 1.13 -0.10 0.00 -0.02 0.00 0.00 57.16 58.45 3ixw n GLU 31 Cb 0.38 -2.07 -0.08 0.00 -0.02 0.00 0.00 31.44 29.65 3ixw n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ixw h ARG 32 N 0.00 -0.07 -0.57 3.49 3.08 -1.89 -3.14 114.38 115.28 3ixw h ARG 32 Ca 0.72 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.77 3ixw h ARG 32 Cb 1.99 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.06 3ixw h ARG 32 CO -0.59 -0.05 0.00 1.28 -1.07 0.00 0.00 179.97 179.54 3ixw n LEU 33 N -4.87 2.28 0.00 3.04 4.32 0.22 -4.78 117.00 117.22 3ixw n LEU 33 Ca 0.01 -1.15 0.00 0.00 -0.02 0.00 0.00 56.01 54.85 3ixw n LEU 33 Cb 0.23 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 3ixw n LEU 33 CO -0.10 0.41 0.00 2.29 -1.22 0.00 0.00 177.39 178.77 3ixw n LYS 34 N 0.32 0.00 -0.47 3.23 2.85 -1.11 -2.35 118.16 120.63 3ixw n LYS 34 Ca 0.11 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.45 3ixw n LYS 34 Cb 0.45 0.00 0.29 0.00 -0.65 0.00 0.00 35.03 35.12 3ixw n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ixw n GLY 35 N -0.59 3.04 2.88 2.58 0.00 -1.26 -4.83 105.19 107.01 3ixw n GLY 35 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 3ixw n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixw s VAL 36 N -1.85 0.76 0.00 1.61 0.11 -0.99 -4.87 120.40 115.17 3ixw s VAL 36 Ca 0.43 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3ixw s VAL 36 Cb 0.28 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3ixw s VAL 36 CO 0.19 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 3ixw n GLY 37 N 4.70 0.00 0.51 6.54 0.00 -1.26 -5.01 105.19 110.67 3ixw n GLY 37 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3ixw n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ixw n ILE 38 N 0.00 1.35 -3.76 -0.61 -6.64 -1.26 -4.58 119.36 103.86 3ixw n ILE 38 Ca 0.00 -1.94 -0.30 0.00 -1.77 0.00 0.00 62.75 58.74 3ixw n ILE 38 Cb 0.00 0.08 -0.14 0.00 -1.44 0.00 0.00 39.64 38.14 3ixw n ILE 38 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 3ixw s LEU 39 N -2.03 2.77 -0.39 7.28 2.96 -1.26 -5.12 118.68 122.90 3ixw s LEU 39 Ca 0.28 -2.17 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 3ixw s LEU 39 Cb 0.27 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3ixw s LEU 39 CO -0.03 -0.34 1.18 -2.84 -1.32 0.00 0.00 176.35 173.00 3ixw s PRO 40 N 0.93 3.84 0.00 0.98 0.02 -1.26 -4.70 135.00 134.81 3ixw s PRO 40 Ca 0.14 0.88 0.00 0.00 0.02 0.00 0.00 61.00 62.03 3ixw s PRO 40 Cb -0.21 -3.87 0.00 0.00 0.02 0.00 0.00 34.50 30.45 3ixw s PRO 40 CO -0.11 -1.22 0.00 2.89 -0.33 0.00 0.00 177.00 178.23 3ixw n ARG 41 N 7.49 0.00 -0.71 5.54 1.85 -1.26 -2.82 116.66 126.75 3ixw n ARG 41 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.88 3ixw n ARG 41 Cb 0.48 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.78 3ixw n ARG 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ixw n GLY 42 N 0.00 2.49 3.41 2.89 0.00 -1.26 -4.64 105.19 108.08 3ixw n GLY 42 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 3ixw n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ixw s THR 43 N 1.78 4.70 0.00 2.61 -4.23 -1.13 -5.05 115.64 114.32 3ixw s THR 43 Ca 0.46 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3ixw s THR 43 Cb 0.21 -4.50 0.00 0.00 1.34 0.00 0.00 72.50 69.55 3ixw s THR 43 CO -0.00 -1.14 0.40 0.18 -0.54 0.00 0.00 174.62 173.51 3ixw n LEU 44 N 6.66 1.14 -1.75 4.79 4.32 -1.26 -4.83 117.00 126.06 3ixw n LEU 44 Ca -0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 56.01 55.37 3ixw n LEU 44 Cb 0.44 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 3ixw n LEU 44 CO 0.59 0.20 -0.29 0.33 -1.22 0.00 0.00 177.39 177.00 3ixw n PHE 45 N 1.08 -2.89 -3.33 -1.77 7.35 -1.26 -5.03 117.46 111.60 3ixw n PHE 45 Ca 0.00 1.72 -0.40 0.00 -0.76 0.00 0.00 57.45 58.01 3ixw n PHE 45 Cb 0.16 -3.09 -0.09 0.00 0.35 0.00 0.00 39.48 36.81 3ixw n PHE 45 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3ixw s SER 46 N -0.35 6.27 0.61 -2.13 0.15 -1.26 -4.93 113.70 112.06 3ixw s SER 46 Ca 0.00 0.07 0.35 0.00 0.70 0.00 0.00 55.95 57.08 3ixw s SER 46 Cb 0.00 -2.23 1.99 0.00 -1.71 0.00 0.00 66.02 64.07 3ixw s SER 46 CO 0.00 -0.33 2.27 0.00 1.20 0.00 0.00 173.24 176.38 3ixw n PHE 48 N -3.49 0.00 -2.03 0.00 3.72 -1.26 -4.71 117.46 109.69 3ixw n PHE 48 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3ixw n PHE 48 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3ixw n PHE 48 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ixw s HIS 49 N -2.17 1.96 0.32 1.38 2.46 -0.86 -4.88 115.29 113.49 3ixw s HIS 49 Ca 0.20 0.45 0.08 0.00 0.47 0.00 0.00 55.06 56.26 3ixw s HIS 49 Cb 0.17 -3.99 0.90 0.00 -0.13 0.00 0.00 32.58 29.53 3ixw s HIS 49 CO 0.45 -3.29 1.65 0.00 -2.47 0.00 0.00 174.74 171.09 3ixw h ALA 50 N 10.99 1.62 -0.35 1.58 0.00 -1.90 -0.50 119.26 130.70 3ixw h ALA 50 Ca -0.36 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3ixw h ALA 50 Cb 1.17 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ixw h ALA 50 CO 0.99 -0.52 0.11 0.07 0.00 0.00 0.00 179.25 179.91 3ixw h ARG 51 N 0.27 0.50 0.00 0.00 0.11 -1.96 -2.90 114.38 110.40 3ixw h ARG 51 Ca 0.65 -0.07 -0.09 0.00 0.10 0.00 0.00 59.98 60.57 3ixw h ARG 51 Cb 1.40 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 3ixw h ARG 51 CO -0.63 0.44 -0.42 0.45 0.10 0.00 0.00 179.97 179.91 3ixw h HIS 52 N 0.50 0.00 -0.17 4.08 3.86 -1.41 0.25 115.15 122.26 3ixw h HIS 52 Ca 0.12 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.18 3ixw h HIS 52 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3ixw h HIS 52 CO 0.01 0.42 -0.50 -0.07 0.86 0.00 0.00 177.93 178.65 3ixw h LEU 53 N 0.00 0.74 -0.06 2.43 3.38 -1.68 -0.44 115.31 119.67 3ixw h LEU 53 Ca -0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.39 3ixw h LEU 53 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3ixw h LEU 53 CO 0.05 1.19 -0.02 0.00 0.09 0.00 0.00 178.44 179.76 3ixw h ALA 54 N 0.56 0.03 -0.38 1.53 0.00 -1.24 0.36 119.26 120.12 3ixw h ALA 54 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ixw h ALA 54 Cb 1.12 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3ixw h ALA 54 CO 0.11 -0.50 -0.02 0.93 0.00 0.00 0.00 179.25 179.77 3ixw h GLU 55 N -0.01 0.08 0.00 0.00 5.08 -0.59 -0.17 114.58 118.96 3ixw h GLU 55 Ca 0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3ixw h GLU 55 Cb 0.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ixw h GLU 55 CO -0.07 0.05 -0.07 0.00 -1.00 0.00 0.00 179.01 177.92 3ixw h ALA 56 N 1.35 1.57 0.00 3.43 0.00 -0.66 -2.59 119.26 122.35 3ixw h ALA 56 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3ixw h ALA 56 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ixw h ALA 56 CO -0.33 0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.56 3ixw h THR 57 N 0.00 0.81 -0.29 0.00 1.03 0.16 0.71 112.91 115.33 3ixw h THR 57 Ca -0.00 -1.96 0.06 0.00 -0.01 0.00 0.00 66.41 64.50 3ixw h THR 57 Cb 0.15 2.27 -0.06 0.00 -1.07 0.00 0.00 68.15 69.43 3ixw h THR 57 CO 0.01 0.43 -0.13 -0.08 -0.01 0.00 0.00 175.52 175.74 3ixw h GLU 58 N 0.00 -0.08 -0.37 0.00 4.57 -1.06 -1.04 114.58 116.59 3ixw h GLU 58 Ca -0.00 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3ixw h GLU 58 Cb 1.23 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3ixw h GLU 58 CO 0.06 -0.06 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.64 3ixw h LEU 59 N -0.09 0.65 -0.25 1.64 4.07 -0.94 -1.03 115.31 119.37 3ixw h LEU 59 Ca 0.15 -0.18 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3ixw h LEU 59 Cb 0.31 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3ixw h LEU 59 CO -0.35 0.79 0.01 1.88 -1.08 0.00 0.00 178.44 179.70 3ixw h TYR 60 N 0.60 0.47 -0.30 1.13 0.05 0.51 0.19 116.97 119.62 3ixw h TYR 60 Ca 0.11 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 3ixw h TYR 60 Cb 0.55 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3ixw h TYR 60 CO 0.02 0.58 -0.30 -0.39 -1.05 0.00 0.00 178.16 177.03 3ixw h VAL 61 N 0.21 1.28 0.86 -2.88 -1.51 -1.03 -1.96 116.25 111.23 3ixw h VAL 61 Ca 0.07 -1.40 -0.04 0.00 -1.23 0.00 0.00 66.70 64.10 3ixw h VAL 61 Cb 0.39 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3ixw h VAL 61 CO 0.01 0.45 -0.48 0.00 -1.23 0.00 0.00 177.57 176.32 3ixw h ALA 62 N 1.14 -1.30 -0.43 5.19 0.00 -1.19 -3.23 119.26 119.43 3ixw h ALA 62 Ca 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ixw h ALA 62 Cb 0.78 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3ixw h ALA 62 CO 0.06 -1.24 0.23 -0.07 0.00 0.00 0.00 179.25 178.23 3ixw h LEU 63 N -1.24 0.53 -1.92 0.00 4.07 -0.37 -0.85 115.31 115.52 3ixw h LEU 63 Ca -0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 3ixw h LEU 63 Cb 0.97 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 3ixw h LEU 63 CO 0.15 0.44 -0.10 1.88 -1.08 0.00 0.00 178.44 179.73 3ixw h TYR 64 N 0.60 0.00 -2.51 1.13 0.05 -1.46 -3.40 116.97 111.38 3ixw h TYR 64 Ca 0.15 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.31 3ixw h TYR 64 Cb 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.64 3ixw h TYR 64 CO 0.00 0.10 0.69 0.20 -1.05 0.00 0.00 178.16 178.10 3ixw s GLY 65 N -4.15 1.38 0.00 3.88 0.00 -0.33 -4.99 107.32 103.11 3ixw s GLY 65 Ca -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.75 3ixw s GLY 65 CO 0.65 2.16 0.00 0.00 0.00 0.00 0.00 173.10 175.90 3ixw n ALA 66 N 7.82 0.00 -1.79 3.20 0.00 -1.26 -5.01 120.51 123.46 3ixw n ALA 66 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3ixw n ALA 66 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3ixw n ALA 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ixw n LYS 67 N 0.00 0.00 -2.82 0.00 4.81 -1.26 -5.11 118.16 113.78 3ixw n LYS 67 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3ixw n LYS 67 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 3ixw n LYS 67 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3ixw n ASP 68 N 0.00 1.45 0.28 3.14 5.75 -1.26 -4.99 116.55 120.93 3ixw n ASP 68 Ca 0.00 -1.73 0.16 0.00 -0.01 0.00 0.00 54.79 53.21 3ixw n ASP 68 Cb 0.00 0.28 0.81 0.00 -1.03 0.00 0.00 41.12 41.18 3ixw n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3ixw h PHE 69 N 1.18 0.00 0.06 2.11 3.57 -2.00 -2.24 116.94 119.62 3ixw h PHE 69 Ca -0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 3ixw h PHE 69 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3ixw h PHE 69 CO 0.00 0.07 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.21 3ixw h ASN 70 N 0.00 -0.07 -0.24 0.41 2.35 -2.00 -3.30 115.58 112.73 3ixw h ASN 70 Ca -0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3ixw h ASN 70 Cb 0.33 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3ixw h ASN 70 CO 0.01 0.59 0.13 -0.78 -1.65 0.00 0.00 177.43 175.72 3ixw h ASP 71 N -0.98 0.34 -0.46 5.81 3.58 -1.91 0.03 116.42 122.84 3ixw h ASP 71 Ca -0.01 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.51 3ixw h ASP 71 Cb 0.42 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.30 3ixw h ASP 71 CO 0.01 0.30 -0.07 0.15 -2.88 0.00 0.00 179.24 176.75 3ixw h PHE 72 N 0.39 -0.16 -0.54 0.28 3.57 -1.57 -1.80 116.94 117.11 3ixw h PHE 72 Ca 0.10 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3ixw h PHE 72 Cb 0.06 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3ixw h PHE 72 CO 0.00 -0.16 0.06 0.82 -2.23 0.00 0.00 178.31 176.80 3ixw h ILE 73 N 0.04 1.26 -0.21 1.41 1.08 -1.09 -2.21 117.51 117.80 3ixw h ILE 73 Ca 0.22 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3ixw h ILE 73 Cb 0.34 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 3ixw h ILE 73 CO -0.44 0.36 0.14 -0.74 -0.69 0.00 0.00 178.15 176.78 3ixw h HIS 74 N 0.80 0.26 -0.73 1.37 2.76 -0.94 0.14 115.15 118.81 3ixw h HIS 74 Ca 0.16 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.47 3ixw h HIS 74 Cb 0.44 -0.09 -0.09 0.00 1.55 0.00 0.00 27.41 29.22 3ixw h HIS 74 CO 0.03 0.17 0.28 1.25 -1.30 0.00 0.00 177.93 178.36 3ixw h LEU 75 N 0.28 0.24 -1.28 0.26 5.85 -1.26 -0.76 115.31 118.64 3ixw h LEU 75 Ca 0.08 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3ixw h LEU 75 Cb -0.03 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ixw h LEU 75 CO -0.02 0.09 -0.35 0.00 -0.34 0.00 0.00 178.44 177.83 3ixw h GLU 77 N 0.00 -0.17 0.26 0.00 5.08 0.51 -3.36 114.58 116.90 3ixw h GLU 77 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ixw h GLU 77 Cb 0.66 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3ixw h GLU 77 CO 0.05 0.07 -0.13 0.37 -1.00 0.00 0.00 179.01 178.37 3ixw h GLN 78 N -0.40 -0.34 -0.48 2.33 4.15 -0.63 -3.28 115.11 116.46 3ixw h GLN 78 Ca -0.02 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.56 3ixw h GLN 78 Cb 0.32 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 3ixw h GLN 78 CO 0.03 -0.23 0.34 0.00 -1.93 0.00 0.00 178.83 177.05 3ixw h ALA 79 N -1.38 2.44 -0.49 3.38 0.00 -1.27 0.20 119.26 122.14 3ixw h ALA 79 Ca -0.04 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3ixw h ALA 79 Cb 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ixw h ALA 79 CO 0.06 -0.58 0.34 -0.09 0.00 0.00 0.00 179.25 178.98 3ixw h ARG 80 N 0.01 0.23 0.00 0.00 2.43 -1.71 -2.96 114.38 112.37 3ixw h ARG 80 Ca 0.23 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3ixw h ARG 80 Cb 0.90 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3ixw h ARG 80 CO -0.00 0.15 0.19 1.04 -1.51 0.00 0.00 179.97 179.84 3ixw n GLN 81 N -4.45 0.00 0.00 0.20 6.02 0.69 -3.19 117.38 116.65 3ixw n GLN 81 Ca 0.08 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3ixw n GLN 81 Cb 0.40 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3ixw n GLN 81 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3ixw n ILE 82 N -1.33 0.00 -4.10 5.09 3.06 -1.12 -1.14 119.36 119.82 3ixw n ILE 82 Ca -0.00 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 3ixw n ILE 82 Cb 0.19 1.25 -0.07 0.00 0.54 0.00 0.00 39.64 41.56 3ixw n ILE 82 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 3ixw s VAL 83 N 0.00 2.79 -0.62 9.51 -7.23 -1.19 -4.74 120.40 118.92 3ixw s VAL 83 Ca 0.00 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 3ixw s VAL 83 Cb 0.00 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 3ixw s VAL 83 CO 0.00 -0.13 1.71 0.54 -0.31 0.00 0.00 175.10 176.91 3ixw s ASN 84 N -3.86 5.53 0.33 4.85 2.20 -1.26 -4.61 114.94 118.12 3ixw s ASN 84 Ca 0.39 0.24 0.17 0.00 -0.94 0.00 0.00 52.86 52.71 3ixw s ASN 84 Cb -0.01 -2.54 1.16 0.00 -2.00 0.00 0.00 41.25 37.86 3ixw s ASN 84 CO 0.23 -2.19 1.45 -1.84 -2.94 0.00 0.00 177.10 171.81 3ixw n GLU 85 N 9.14 -0.06 -0.31 3.55 0.00 -1.26 -1.32 120.64 130.38 3ixw n GLU 85 Ca 0.17 1.29 -0.04 0.00 0.00 0.00 0.00 57.16 58.57 3ixw n GLU 85 Cb 0.51 -2.27 0.08 0.00 0.00 0.00 0.00 31.44 29.76 3ixw n GLU 85 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3ixw h GLY 86 N 0.00 1.23 0.81 -1.84 0.00 -1.99 0.21 103.07 101.50 3ixw h GLY 86 Ca 0.75 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 3ixw h GLY 86 CO -0.73 0.51 -0.38 1.98 0.00 0.00 0.00 176.54 177.92 3ixw h MET 87 N 1.16 0.46 -0.04 4.80 -1.53 -1.61 -2.36 114.93 115.82 3ixw h MET 87 Ca 0.30 -0.34 0.02 0.00 -3.44 0.00 0.00 59.70 56.24 3ixw h MET 87 Cb -0.03 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 3ixw h MET 87 CO -0.05 0.96 -0.09 0.35 0.14 0.00 0.00 176.91 178.22 3ixw h PHE 88 N 0.05 -0.21 -0.68 1.39 3.57 -0.72 0.15 116.94 120.49 3ixw h PHE 88 Ca -0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3ixw h PHE 88 Cb 1.00 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 3ixw h PHE 88 CO 0.11 -0.13 0.45 -0.24 -2.23 0.00 0.00 178.31 176.27 3ixw h VAL 89 N -0.13 1.14 -0.60 1.41 3.04 -0.67 0.99 116.25 121.43 3ixw h VAL 89 Ca 0.05 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.40 3ixw h VAL 89 Cb 0.19 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.63 3ixw h VAL 89 CO -0.12 0.16 0.24 0.22 -1.01 0.00 0.00 177.57 177.06 3ixw h TYR 90 N 0.88 0.88 -0.00 3.17 3.20 -0.79 0.12 116.97 124.43 3ixw h TYR 90 Ca 0.26 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3ixw h TYR 90 Cb -0.04 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 37.97 3ixw h TYR 90 CO -0.00 0.68 -0.32 0.00 -1.64 0.00 0.00 178.16 176.88 3ixw h ALA 91 N 1.40 0.04 -0.12 1.82 0.00 -0.01 -1.47 119.26 120.93 3ixw h ALA 91 Ca 0.20 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3ixw h ALA 91 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ixw h ALA 91 CO -0.02 0.14 -0.26 -0.39 0.00 0.00 0.00 179.25 178.72 3ixw h VAL 92 N -0.41 1.24 0.00 0.00 -1.51 -0.74 -0.22 116.25 114.60 3ixw h VAL 92 Ca -0.04 -1.11 -0.20 0.00 -1.23 0.00 0.00 66.70 64.13 3ixw h VAL 92 Cb 1.06 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 3ixw h VAL 92 CO 0.06 0.33 -0.88 -1.28 -1.23 0.00 0.00 177.57 174.58 3ixw h SER 93 N 0.19 0.29 -0.04 4.19 0.87 -0.79 0.39 113.55 118.65 3ixw h SER 93 Ca 0.03 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 3ixw h SER 93 Cb 0.57 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3ixw h SER 93 CO 0.04 1.03 -0.25 0.58 -0.53 0.00 0.00 176.83 177.70 3ixw h VAL 94 N 0.12 1.26 0.26 2.23 2.07 -0.91 -2.74 116.25 118.55 3ixw h VAL 94 Ca -0.05 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3ixw h VAL 94 Cb 1.50 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3ixw h VAL 94 CO 0.14 0.40 -0.12 0.00 0.02 0.00 0.00 177.57 178.00 3ixw h ALA 95 N 1.32 -0.35 -0.30 1.67 0.00 -0.96 -3.18 119.26 117.46 3ixw h ALA 95 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ixw h ALA 95 Cb 0.66 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ixw h ALA 95 CO 0.05 -0.52 0.00 1.55 0.00 0.00 0.00 179.25 180.33 3ixw n VAL 96 N -5.09 0.73 0.00 0.00 3.14 0.14 -0.00 118.33 117.25 3ixw n VAL 96 Ca -0.09 -0.51 -0.20 0.00 -2.96 0.00 0.00 64.34 60.58 3ixw n VAL 96 Cb 0.25 -0.01 -0.14 0.00 -1.06 0.00 0.00 33.84 32.88 3ixw n VAL 96 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3ixw n LEU 97 N 0.39 2.43 0.00 6.55 4.77 -1.04 -4.90 117.00 125.22 3ixw n LEU 97 Ca 0.11 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3ixw n LEU 97 Cb 0.42 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3ixw n LEU 97 CO 0.10 0.80 0.23 1.41 -1.33 0.00 0.00 177.39 178.60 3ixw n HIS 98 N -3.43 0.00 -4.98 -1.77 8.25 0.99 -4.98 115.22 109.30 3ixw n HIS 98 Ca -0.30 -0.09 -0.32 0.00 -0.26 0.00 0.00 57.72 56.75 3ixw n HIS 98 Cb 1.05 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.98 3ixw n HIS 98 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ixw s ARG 99 N -0.18 2.99 -0.42 -0.41 1.04 -0.76 -4.98 118.95 116.22 3ixw s ARG 99 Ca 0.00 -0.85 -0.00 0.00 -1.04 0.00 0.00 55.73 53.83 3ixw s ARG 99 Cb 0.00 -2.32 0.35 0.00 -2.04 0.00 0.00 34.95 30.94 3ixw s ARG 99 CO 0.00 0.10 1.93 -1.91 -0.04 0.00 0.00 175.30 175.38 3ixw n GLU 100 N 3.75 2.09 -0.70 3.89 4.07 -1.26 -4.22 120.64 128.26 3ixw n GLU 100 Ca -0.19 -2.23 -0.00 0.00 -0.06 0.00 0.00 57.16 54.68 3ixw n GLU 100 Cb 0.52 -1.87 0.20 0.00 -0.06 0.00 0.00 31.44 30.23 3ixw n GLU 100 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3ixw n ASP 101 N -0.30 2.33 -0.52 4.31 5.75 -1.26 -4.77 116.55 122.10 3ixw n ASP 101 Ca 0.43 -3.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.47 3ixw n ASP 101 Cb 0.79 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3ixw n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ixw s LYS 103 N 0.00 4.21 0.00 0.00 2.20 -1.26 -1.48 119.74 123.40 3ixw s LYS 103 Ca 0.01 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 3ixw s LYS 103 Cb 0.01 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3ixw s LYS 103 CO -0.00 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 3ixw n GLY 104 N 2.90 0.56 3.83 5.54 0.00 0.32 -4.84 105.19 113.50 3ixw n GLY 104 Ca 0.10 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3ixw n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ixw s ILE 105 N -2.00 4.65 0.00 -0.61 -1.16 -0.55 -4.83 121.20 116.70 3ixw s ILE 105 Ca 0.00 1.10 0.08 0.00 -0.51 0.00 0.00 60.65 61.33 3ixw s ILE 105 Cb 0.00 -3.77 -0.02 0.00 0.61 0.00 0.00 42.46 39.28 3ixw s ILE 105 CO 0.00 0.10 -0.25 -0.89 -2.81 0.00 0.00 174.94 171.09 3ixw s THR 106 N -1.65 2.17 0.03 4.00 2.01 -1.26 -4.30 115.64 116.64 3ixw s THR 106 Ca 0.45 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 3ixw s THR 106 Cb -0.15 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 3ixw s THR 106 CO 0.20 0.49 1.15 -0.69 -0.69 0.00 0.00 174.62 175.08 3ixw s VAL 107 N -0.70 4.27 -0.07 3.82 1.01 -1.26 -4.96 120.40 122.51 3ixw s VAL 107 Ca 0.11 1.62 -0.36 0.00 0.00 0.00 0.00 61.98 63.35 3ixw s VAL 107 Cb -0.10 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 3ixw s VAL 107 CO 0.00 0.10 1.69 -2.65 0.00 0.00 0.00 175.10 174.25 3ixw n PRO 108 N 4.14 1.70 -1.63 2.72 -0.02 -1.26 -4.84 135.00 135.80 3ixw n PRO 108 Ca 0.09 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 3ixw n PRO 108 Cb 0.47 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3ixw n PRO 108 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ixw n PRO 109 N 4.99 2.42 0.14 0.52 -0.02 -1.26 -4.86 135.00 136.93 3ixw n PRO 109 Ca 0.22 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.68 3ixw n PRO 109 Cb 0.23 -3.12 0.78 0.00 -0.02 0.00 0.00 33.50 31.37 3ixw n PRO 109 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ixw h ILE 110 N 6.38 0.50 -0.04 4.25 3.07 -1.95 0.17 117.51 129.89 3ixw h ILE 110 Ca -0.45 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 65.78 3ixw h ILE 110 Cb 1.24 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 3ixw h ILE 110 CO 0.95 0.00 -0.75 1.56 -1.05 0.00 0.00 178.15 178.86 3ixw h GLN 111 N 0.00 0.28 0.01 0.16 7.50 -1.90 0.33 115.11 121.49 3ixw h GLN 111 Ca 0.14 -0.24 -0.32 0.00 0.50 0.00 0.00 58.65 58.72 3ixw h GLN 111 Cb 0.72 0.05 -0.05 0.00 0.05 0.00 0.00 27.48 28.25 3ixw h GLN 111 CO -0.00 0.90 -1.96 0.39 -1.50 0.00 0.00 178.83 176.66 3ixw n GLU 112 N -3.78 0.66 0.06 1.46 1.02 -0.11 -2.25 120.64 117.70 3ixw n GLU 112 Ca -0.04 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 3ixw n GLU 112 Cb 0.72 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 30.32 3ixw n GLU 112 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3ixw h VAL 113 N 0.01 1.69 -2.57 2.62 -1.51 -0.83 0.85 116.25 116.51 3ixw h VAL 113 Ca -0.39 -3.40 -0.60 0.00 -1.23 0.00 0.00 66.70 61.09 3ixw h VAL 113 Cb 2.08 2.84 -0.40 0.00 -2.13 0.00 0.00 31.29 33.67 3ixw h VAL 113 CO 0.06 0.96 -0.80 0.49 -1.23 0.00 0.00 177.57 177.05 3ixw n PHE 114 N -3.34 1.13 0.29 5.19 3.72 0.11 -4.42 117.46 120.13 3ixw n PHE 114 Ca -0.00 -3.79 0.18 0.00 -0.05 0.00 0.00 57.45 53.79 3ixw n PHE 114 Cb 0.94 -0.21 0.76 0.00 -0.94 0.00 0.00 39.48 40.03 3ixw n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ixw h PRO 115 N 5.22 0.00 -0.77 -1.08 0.13 -1.61 -3.32 132.00 130.56 3ixw h PRO 115 Ca 0.20 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 3ixw h PRO 115 Cb 0.82 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.91 3ixw h PRO 115 CO 0.55 0.00 0.50 0.38 -0.23 0.00 0.00 178.00 179.20 3ixw h ASP 116 N 0.00 0.83 0.00 1.44 2.03 -1.87 0.07 116.42 118.92 3ixw h ASP 116 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3ixw h ASP 116 Cb 0.44 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 3ixw h ASP 116 CO 0.00 0.58 0.00 -2.11 -1.03 0.00 0.00 179.24 176.68 3ixw n ARG 117 N -4.60 0.65 -0.05 4.15 1.85 -1.25 -3.69 116.66 113.72 3ixw n ARG 117 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.87 3ixw n ARG 117 Cb 0.07 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.93 3ixw n ARG 117 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ixw n PHE 118 N -1.00 0.00 -3.99 2.89 3.01 -0.04 -4.67 117.46 113.65 3ixw n PHE 118 Ca 0.16 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.38 3ixw n PHE 118 Cb 0.07 -0.39 -0.06 0.00 -0.01 0.00 0.00 39.48 39.09 3ixw n PHE 118 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3ixw s VAL 119 N -2.20 2.62 0.14 -4.37 -7.23 -0.85 -4.96 120.40 103.55 3ixw s VAL 119 Ca -0.12 -1.61 -0.31 0.00 -1.81 0.00 0.00 61.98 58.12 3ixw s VAL 119 Cb 0.03 -2.99 -0.11 0.00 0.56 0.00 0.00 36.38 33.87 3ixw s VAL 119 CO 0.25 -0.06 1.79 -2.84 -0.31 0.00 0.00 175.10 173.93 3ixw s PRO 120 N -3.94 4.14 0.30 4.82 0.02 -1.26 -4.53 135.00 134.55 3ixw s PRO 120 Ca 0.42 2.58 0.10 0.00 0.02 0.00 0.00 61.00 64.12 3ixw s PRO 120 Cb 0.00 -3.46 0.92 0.00 0.02 0.00 0.00 34.50 31.99 3ixw s PRO 120 CO 0.24 -0.81 1.38 0.00 -0.33 0.00 0.00 177.00 177.48 3ixw n ALA 121 N 5.22 0.67 0.00 -1.55 0.00 0.50 -0.53 120.51 124.81 3ixw n ALA 121 Ca 0.17 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.43 3ixw n ALA 121 Cb 0.37 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 3ixw n ALA 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ixw h GLU 122 N 0.00 -0.07 0.00 0.00 4.39 -1.91 -1.65 114.58 115.33 3ixw h GLU 122 Ca 0.64 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.34 3ixw h GLU 122 Cb 1.53 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3ixw h GLU 122 CO -0.75 -0.05 0.00 -2.37 -1.16 0.00 0.00 179.01 174.68 3ixw n THR 123 N -5.21 0.67 0.00 1.13 5.66 0.31 0.08 114.28 116.92 3ixw n THR 123 Ca -0.04 -0.05 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 3ixw n THR 123 Cb 0.13 -0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 68.00 3ixw n THR 123 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3ixw h ILE 124 N 0.00 1.26 -0.35 1.09 2.04 -1.20 -3.15 117.51 117.20 3ixw h ILE 124 Ca 0.00 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 3ixw h ILE 124 Cb 0.56 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 3ixw h ILE 124 CO 0.00 0.32 0.03 -1.13 0.00 0.00 0.00 178.15 177.38 3ixw h ASN 125 N -0.72 0.49 0.11 1.72 -0.73 -0.86 -1.59 115.58 114.00 3ixw h ASN 125 Ca -0.01 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 3ixw h ASN 125 Cb 0.59 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.06 3ixw h ASN 125 CO 0.01 0.53 -0.05 0.03 -0.37 0.00 0.00 177.43 177.58 3ixw h ARG 126 N 0.51 -0.14 -0.14 6.67 3.08 -0.46 0.34 114.38 124.23 3ixw h ARG 126 Ca 0.11 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3ixw h ARG 126 Cb 0.28 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3ixw h ARG 126 CO 0.00 0.22 -0.10 0.00 -1.07 0.00 0.00 179.97 179.03 3ixw h ALA 127 N 0.30 0.01 -0.47 0.04 0.00 -1.49 0.52 119.26 118.18 3ixw h ALA 127 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ixw h ALA 127 Cb 0.43 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3ixw h ALA 127 CO 0.02 -0.54 -0.48 -0.91 0.00 0.00 0.00 179.25 177.34 3ixw h ASN 128 N -0.10 -1.63 0.22 0.00 4.21 -1.32 -1.94 115.58 115.01 3ixw h ASN 128 Ca 0.09 0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.79 3ixw h ASN 128 Cb 0.23 0.70 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 3ixw h ASN 128 CO -0.21 -0.37 -0.20 0.50 -1.29 0.00 0.00 177.43 175.86 3ixw h LYS 129 N -0.32 0.00 -0.08 0.81 3.64 1.00 -2.19 116.57 119.43 3ixw h LYS 129 Ca 0.13 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 3ixw h LYS 129 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3ixw h LYS 129 CO -0.62 0.20 -0.65 0.93 -2.27 0.00 0.00 179.45 177.03 3ixw h GLU 130 N 0.00 0.31 -0.46 1.90 5.08 0.60 0.43 114.58 122.45 3ixw h GLU 130 Ca -0.00 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3ixw h GLU 130 Cb 0.36 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3ixw h GLU 130 CO 0.03 0.86 0.13 0.00 -1.00 0.00 0.00 179.01 179.02 3ixw h ALA 131 N 1.08 1.37 0.00 3.43 0.00 -0.83 0.95 119.26 125.27 3ixw h ALA 131 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3ixw h ALA 131 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ixw h ALA 131 CO 0.11 0.46 -0.18 0.66 0.00 0.00 0.00 179.25 180.29 3ixw h SER 132 N 0.66 0.00 0.83 0.00 4.64 -0.89 -3.29 113.55 115.49 3ixw h SER 132 Ca 0.15 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 3ixw h SER 132 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3ixw h SER 132 CO -0.01 0.18 -1.19 0.78 -0.87 0.00 0.00 176.83 175.72 3ixw h ASN 133 N 0.00 0.08 -3.06 4.97 -0.26 0.13 -3.42 115.58 114.03 3ixw h ASN 133 Ca -0.00 -0.10 -0.59 0.00 -0.56 0.00 0.00 56.30 55.05 3ixw h ASN 133 Cb 0.82 -0.03 -0.40 0.00 -1.06 0.00 0.00 38.32 37.66 3ixw h ASN 133 CO 0.02 1.08 -0.79 -1.00 -1.06 0.00 0.00 177.43 175.69 3ixw s HIS 134 N -2.68 1.36 -1.17 1.19 3.76 0.18 -5.06 115.29 112.87 3ixw s HIS 134 Ca -0.01 -1.95 -0.23 0.00 -0.15 0.00 0.00 55.06 52.71 3ixw s HIS 134 Cb 0.09 -1.42 -0.11 0.00 1.11 0.00 0.00 32.58 32.24 3ixw s HIS 134 CO 0.83 -0.81 1.97 -2.14 -0.85 0.00 0.00 174.74 173.73 3ixw s PRO 135 N 0.86 2.26 0.16 8.40 0.02 -1.24 -4.66 135.00 140.80 3ixw s PRO 135 Ca 0.17 -1.04 -0.03 0.00 0.02 0.00 0.00 61.00 60.12 3ixw s PRO 135 Cb -0.23 -5.20 -0.03 0.00 0.02 0.00 0.00 34.50 29.06 3ixw s PRO 135 CO -0.04 -4.26 0.14 0.34 -0.33 0.00 0.00 177.00 172.86 3ixw s ASP 136 N 6.86 0.19 0.00 2.53 2.15 -1.26 -5.05 116.67 122.09 3ixw s ASP 136 Ca 0.71 -1.17 0.30 0.00 0.43 0.00 0.00 52.55 52.81 3ixw s ASP 136 Cb -0.02 0.36 1.40 0.00 -0.30 0.00 0.00 42.92 44.37 3ixw s ASP 136 CO 0.14 -0.81 1.99 1.67 -0.17 0.00 0.00 175.17 177.99 3ixw n GLN 137 N -0.18 0.31 -1.68 4.34 -0.06 -1.26 -3.31 117.38 115.53 3ixw n GLN 137 Ca -0.04 -0.01 -0.44 0.00 -2.00 0.00 0.00 57.00 54.51 3ixw n GLN 137 Cb 0.64 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 25.30 3ixw n GLN 137 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3ixw n GLN 138 N -1.33 2.15 -0.98 3.69 6.02 -1.26 -1.65 117.38 124.01 3ixw n GLN 138 Ca 0.12 0.76 -0.31 0.00 -0.01 0.00 0.00 57.00 57.56 3ixw n GLN 138 Cb 0.27 -2.44 0.13 0.00 1.02 0.00 0.00 30.24 29.23 3ixw n GLN 138 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3ixw s SER 139 N 0.32 3.61 -0.01 1.08 0.01 -1.26 -4.36 113.70 113.08 3ixw s SER 139 Ca 0.67 2.09 0.05 0.00 1.31 0.00 0.00 55.95 60.07 3ixw s SER 139 Cb -0.62 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.04 3ixw s SER 139 CO 0.50 -2.64 -0.16 -0.63 0.41 0.00 0.00 173.24 170.71 3ixw s ILE 140 N -2.65 1.29 -0.06 1.44 1.01 0.02 -4.96 121.20 117.29 3ixw s ILE 140 Ca 0.66 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3ixw s ILE 140 Cb -0.22 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.20 3ixw s ILE 140 CO 0.56 0.37 -0.09 0.54 0.00 0.00 0.00 174.94 176.31 3ixw s VAL 141 N -0.36 0.88 -0.04 2.92 0.11 -1.26 0.46 120.40 123.12 3ixw s VAL 141 Ca 0.06 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 3ixw s VAL 141 Cb -0.07 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3ixw s VAL 141 CO -0.00 0.30 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.17 3ixw s VAL 142 N 0.78 1.66 -0.45 2.04 1.01 0.45 -4.93 120.40 120.96 3ixw s VAL 142 Ca -0.13 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3ixw s VAL 142 Cb -0.15 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.85 3ixw s VAL 142 CO 0.02 0.47 0.87 -0.70 0.00 0.00 0.00 175.10 175.76 3ixw s GLU 143 N -0.20 3.52 0.55 2.72 2.12 -1.26 0.04 118.70 126.18 3ixw s GLU 143 Ca 0.00 0.10 0.22 0.00 0.36 0.00 0.00 54.97 55.65 3ixw s GLU 143 Cb -0.11 -3.92 1.50 0.00 0.26 0.00 0.00 34.13 31.87 3ixw s GLU 143 CO 0.01 -1.15 2.19 0.00 -0.54 0.00 0.00 175.26 175.77 3ixw h ALA 144 N 8.98 1.77 -0.79 6.30 0.00 -0.97 -3.35 119.26 131.20 3ixw h ALA 144 Ca -0.24 -0.01 0.28 0.00 0.00 0.00 0.00 54.91 54.94 3ixw h ALA 144 Cb 1.08 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 3ixw h ALA 144 CO 0.99 0.01 0.25 -1.91 0.00 0.00 0.00 179.25 178.59 3ixw n GLU 145 N -4.22 -0.05 -0.97 0.00 4.07 -1.26 -4.91 120.64 113.29 3ixw n GLU 145 Ca -0.03 1.13 0.13 0.00 -0.06 0.00 0.00 57.16 58.33 3ixw n GLU 145 Cb 0.10 -1.92 -0.03 0.00 -0.06 0.00 0.00 31.44 29.52 3ixw n GLU 145 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3ixw n GLU 146 N -4.93 -1.96 -3.73 5.31 2.13 -1.26 -4.98 120.64 111.23 3ixw n GLU 146 Ca 0.25 1.29 -0.12 0.00 0.66 0.00 0.00 57.16 59.24 3ixw n GLU 146 Cb 0.84 -2.39 -0.11 0.00 0.27 0.00 0.00 31.44 30.05 3ixw n GLU 146 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3ixw s THR 147 N -1.65 -0.02 0.06 6.31 2.01 -1.26 -5.17 115.64 115.93 3ixw s THR 147 Ca 0.00 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 3ixw s THR 147 Cb 0.00 -0.52 0.09 0.00 0.01 0.00 0.00 72.50 72.08 3ixw s THR 147 CO 0.00 0.02 1.10 -0.83 -0.69 0.00 0.00 174.62 174.22 3ixw s GLY 148 N 0.83 -0.32 -0.48 4.40 0.00 -1.26 -5.11 107.32 105.38 3ixw s GLY 148 Ca -0.05 0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.88 3ixw s GLY 148 CO -0.06 0.10 1.06 0.21 0.00 0.00 0.00 173.10 174.41 3ixw s ASN 149 N -2.89 6.56 -1.31 1.64 2.47 -1.26 -4.92 114.94 115.24 3ixw s ASN 149 Ca 0.12 0.29 -0.14 0.00 0.42 0.00 0.00 52.86 53.55 3ixw s ASN 149 Cb 0.01 -2.51 0.11 0.00 -1.45 0.00 0.00 41.25 37.41 3ixw s ASN 149 CO -0.01 -1.20 1.81 -0.38 -3.72 0.00 0.00 177.10 173.60 3ixw n ILE 150 N 6.67 4.00 0.14 -5.21 5.41 -1.26 -4.65 119.36 124.46 3ixw n ILE 150 Ca 0.09 -4.07 -0.13 0.00 1.00 0.00 0.00 62.75 59.64 3ixw n ILE 150 Cb 0.49 -2.44 -0.08 0.00 -0.71 0.00 0.00 39.64 36.90 3ixw n ILE 150 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ixw h LEU 151 N 10.26 -0.33 -9.59 1.39 -0.00 -2.06 -3.45 115.31 111.53 3ixw h LEU 151 Ca 0.43 -0.20 -0.53 0.00 -0.00 0.00 0.00 57.88 57.59 3ixw h LEU 151 Cb 0.77 0.08 0.03 0.00 -0.00 0.00 0.00 40.66 41.54 3ixw h LEU 151 CO 1.54 0.06 0.78 -0.62 -0.00 0.00 0.00 178.44 180.20 3ixw s ASP 152 N -5.13 6.73 0.14 -0.43 2.15 -1.26 -4.94 116.67 113.92 3ixw s ASP 152 Ca -0.14 2.47 -0.14 0.00 0.43 0.00 0.00 52.55 55.17 3ixw s ASP 152 Cb 0.02 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3ixw s ASP 152 CO 0.54 -0.71 1.60 -0.65 -0.17 0.00 0.00 175.17 175.78 3ixw h PRO 153 N 6.54 0.76 -0.62 4.34 0.11 -2.02 -3.32 132.00 137.79 3ixw h PRO 153 Ca -0.43 -0.23 0.18 0.00 0.11 0.00 0.00 66.00 65.63 3ixw h PRO 153 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3ixw h PRO 153 CO 0.87 0.81 0.45 1.49 -0.21 0.00 0.00 178.00 181.41 3ixw h GLU 154 N 0.61 0.00 -0.77 1.05 4.57 -2.00 -1.71 114.58 116.33 3ixw h GLU 154 Ca 0.13 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.53 3ixw h GLU 154 Cb 0.45 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3ixw h GLU 154 CO 0.02 0.00 0.70 -0.92 -1.18 0.00 0.00 179.01 177.63 3ixw h TYR 155 N 0.00 0.00 -0.26 0.92 3.20 -1.99 0.70 116.97 119.54 3ixw h TYR 155 Ca 0.30 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.22 3ixw h TYR 155 Cb 1.20 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.39 3ixw h TYR 155 CO 0.00 0.00 -0.39 0.87 -1.64 0.00 0.00 178.16 177.00 3ixw h LYS 156 N 0.00 -0.37 0.00 1.82 1.79 -1.58 -2.81 116.57 115.43 3ixw h LYS 156 Ca 0.36 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3ixw h LYS 156 Cb 1.76 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 3ixw h LYS 156 CO -0.00 -0.25 0.00 1.28 -1.08 0.00 0.00 179.45 179.40 3ixw n LEU 157 N -5.42 0.00 0.00 2.94 4.32 0.24 -2.54 117.00 116.54 3ixw n LEU 157 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.07 3ixw n LEU 157 Cb 0.35 0.00 0.56 0.00 -1.62 0.00 0.00 43.42 42.71 3ixw n LEU 157 CO 0.09 0.00 0.77 -1.20 -1.22 0.00 0.00 177.39 175.84 3ixw n SER 158 N -0.91 0.00 -0.30 -1.43 7.64 -1.06 -1.63 113.62 115.93 3ixw n SER 158 Ca 0.10 -0.51 -0.05 0.00 1.01 0.00 0.00 58.87 59.42 3ixw n SER 158 Cb 0.04 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 3ixw n SER 158 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3ixw h TYR 159 N 0.00 1.19 0.00 1.43 -0.00 -1.73 -3.36 116.97 114.50 3ixw h TYR 159 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 58.73 58.59 3ixw h TYR 159 Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 36.73 36.38 3ixw h TYR 159 CO 0.00 0.87 -0.92 0.34 -0.00 0.00 0.00 178.16 178.45 3ixw n PHE 160 N -4.33 0.64 -0.32 0.10 7.35 -0.65 -4.36 117.46 115.89 3ixw n PHE 160 Ca 0.08 0.28 -0.00 0.00 -0.76 0.00 0.00 57.45 57.04 3ixw n PHE 160 Cb 0.14 -0.78 0.13 0.00 0.35 0.00 0.00 39.48 39.32 3ixw n PHE 160 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ixw h ARG 161 N -1.00 1.04 -0.60 -4.13 3.08 -1.66 -2.94 114.38 108.17 3ixw h ARG 161 Ca -0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3ixw h ARG 161 Cb 0.85 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ixw h ARG 161 CO -0.07 0.69 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 3ixw n GLU 162 N -4.55 2.47 -2.44 0.04 1.02 -1.26 -3.76 120.64 112.16 3ixw n GLU 162 Ca 0.12 -2.16 -0.33 0.00 -0.02 0.00 0.00 57.16 54.76 3ixw n GLU 162 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3ixw n GLU 162 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ixw s ASP 163 N -0.98 6.37 0.08 1.62 2.15 -1.11 -4.90 116.67 119.89 3ixw s ASP 163 Ca 0.40 1.79 -0.25 0.00 0.43 0.00 0.00 52.55 54.92 3ixw s ASP 163 Cb 0.21 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 40.13 3ixw s ASP 163 CO 0.26 -0.76 1.67 -0.29 -0.17 0.00 0.00 175.17 175.88 3ixw h ILE 164 N 1.22 0.93 -0.05 4.11 2.10 -1.93 -0.61 117.51 123.28 3ixw h ILE 164 Ca -0.48 -0.10 -0.22 0.00 1.08 0.00 0.00 64.86 65.13 3ixw h ILE 164 Cb 1.21 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 3ixw h ILE 164 CO 0.59 0.03 -0.87 1.23 -1.08 0.00 0.00 178.15 178.05 3ixw h GLY 165 N -0.18 0.58 0.04 8.18 0.00 -1.97 -0.97 103.07 108.75 3ixw h GLY 165 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.40 3ixw h GLY 165 CO 0.02 0.82 -0.33 -2.22 0.00 0.00 0.00 176.54 174.83 3ixw h ILE 166 N 0.33 0.00 -0.02 2.60 1.08 -1.86 -0.86 117.51 118.78 3ixw h ILE 166 Ca -0.07 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.29 3ixw h ILE 166 Cb 1.49 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 3ixw h ILE 166 CO 0.16 0.00 -0.50 0.78 -0.69 0.00 0.00 178.15 177.90 3ixw h ASN 167 N -0.45 0.04 0.01 1.72 2.35 -0.94 -2.04 115.58 116.27 3ixw h ASN 167 Ca 0.00 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ixw h ASN 167 Cb 0.46 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3ixw h ASN 167 CO -0.20 0.53 -0.00 0.00 -1.65 0.00 0.00 177.43 176.11 3ixw h ALA 168 N 1.47 -0.01 -0.84 -0.83 0.00 -1.22 -2.74 119.26 115.08 3ixw h ALA 168 Ca -0.00 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.00 3ixw h ALA 168 Cb 0.89 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 3ixw h ALA 168 CO 0.07 -0.42 0.36 1.25 0.00 0.00 0.00 179.25 180.51 3ixw h HIS 169 N -0.19 0.61 0.13 0.00 -0.00 -0.45 -0.58 115.15 114.67 3ixw h HIS 169 Ca -0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3ixw h HIS 169 Cb 0.18 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3ixw h HIS 169 CO -0.02 0.02 -0.08 1.25 -0.00 0.00 0.00 177.93 179.10 3ixw h HIS 170 N 0.44 -0.21 0.48 5.26 6.17 -1.32 0.22 115.15 126.19 3ixw h HIS 170 Ca 0.50 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.56 3ixw h HIS 170 Cb 0.86 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.86 3ixw h HIS 170 CO -0.15 -0.13 -0.29 2.35 0.71 0.00 0.00 177.93 180.42 3ixw h TRP 171 N -0.20 -0.77 -1.07 5.26 2.91 -1.08 -3.17 115.95 117.83 3ixw h TRP 171 Ca -0.01 -0.01 0.29 0.00 1.13 0.00 0.00 58.89 60.29 3ixw h TRP 171 Cb 0.17 0.27 -0.10 0.00 -0.51 0.00 0.00 29.16 29.00 3ixw h TRP 171 CO -0.09 -0.45 0.69 0.45 -1.03 0.00 0.00 178.44 178.01 3ixw h HIS 172 N -0.73 0.66 -0.48 2.65 3.86 -0.83 0.15 115.15 120.42 3ixw h HIS 172 Ca -0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3ixw h HIS 172 Cb 0.60 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3ixw h HIS 172 CO -0.10 0.02 0.21 2.35 0.86 0.00 0.00 177.93 181.27 3ixw h TRP 173 N 0.36 0.72 -0.01 2.45 7.01 -0.53 -0.41 115.95 125.53 3ixw h TRP 173 Ca 0.63 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.58 3ixw h TRP 173 Cb 1.64 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.48 3ixw h TRP 173 CO -0.00 0.59 -0.23 0.72 -2.79 0.00 0.00 178.44 176.73 3ixw n HIS 174 N -4.59 0.00 0.10 2.65 8.25 -0.53 -0.57 115.22 120.53 3ixw n HIS 174 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 3ixw n HIS 174 Cb 0.14 -0.13 -0.14 0.00 1.12 0.00 0.00 29.99 30.98 3ixw n HIS 174 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3ixw h ILE 175 N 1.16 1.50 -0.01 1.59 6.09 -0.45 -3.08 117.51 124.31 3ixw h ILE 175 Ca 0.00 -3.07 -0.18 0.00 -1.37 0.00 0.00 64.86 60.24 3ixw h ILE 175 Cb 0.49 2.94 -0.02 0.00 0.47 0.00 0.00 36.82 40.70 3ixw h ILE 175 CO 0.00 0.90 -0.80 -0.37 -3.07 0.00 0.00 178.15 174.81 3ixw h VAL 176 N 0.07 1.51 -3.16 2.19 -1.51 -0.90 -3.39 116.25 111.06 3ixw h VAL 176 Ca -0.13 -2.55 -0.63 0.00 -1.23 0.00 0.00 66.70 62.16 3ixw h VAL 176 Cb 1.97 2.39 -0.41 0.00 -2.13 0.00 0.00 31.29 33.10 3ixw h VAL 176 CO 0.20 0.74 -0.56 -0.31 -1.23 0.00 0.00 177.57 176.40 3ixw s TYR 177 N -3.29 3.51 0.24 5.19 2.02 0.26 -5.10 117.35 120.18 3ixw s TYR 177 Ca -0.02 -3.29 -0.30 0.00 -0.37 0.00 0.00 57.07 53.09 3ixw s TYR 177 Cb 0.11 -2.76 -0.09 0.00 -0.40 0.00 0.00 41.96 38.82 3ixw s TYR 177 CO 0.81 -0.59 1.16 -1.25 -1.57 0.00 0.00 175.55 174.10 3ixw s PRO 178 N -1.22 4.55 0.35 -1.71 0.04 -1.16 -4.50 135.00 131.35 3ixw s PRO 178 Ca 0.23 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.19 3ixw s PRO 178 Cb -0.09 -3.21 0.71 0.00 0.04 0.00 0.00 34.50 31.95 3ixw s PRO 178 CO -0.13 0.04 1.93 0.00 0.04 0.00 0.00 177.00 178.88 3ixw h ALA 179 N 4.49 1.69 -0.05 8.56 0.00 -1.88 -0.04 119.26 132.02 3ixw h ALA 179 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ixw h ALA 179 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ixw h ALA 179 CO 0.70 0.17 0.00 0.25 0.00 0.00 0.00 179.25 180.37 3ixw n THR 180 N -4.50 0.08 -1.66 0.00 -2.24 -1.26 -0.28 114.28 104.42 3ixw n THR 180 Ca 0.13 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 3ixw n THR 180 Cb 0.27 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3ixw n THR 180 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3ixw s TRP 181 N -1.83 1.25 0.05 4.78 -0.11 -0.03 -4.86 118.94 118.18 3ixw s TRP 181 Ca 0.03 1.70 -0.30 0.00 1.22 0.00 0.00 56.10 58.75 3ixw s TRP 181 Cb 0.02 -3.56 -0.08 0.00 -1.50 0.00 0.00 33.47 28.35 3ixw s TRP 181 CO 0.02 -1.71 1.62 1.21 -4.62 0.00 0.00 176.95 173.47 3ixw s ASN 182 N 10.48 6.64 0.08 5.86 3.84 -1.26 -4.49 114.94 136.10 3ixw s ASN 182 Ca 0.89 2.41 -0.18 0.00 0.21 0.00 0.00 52.86 56.19 3ixw s ASN 182 Cb -0.12 -2.56 -0.09 0.00 -0.55 0.00 0.00 41.25 37.93 3ixw s ASN 182 CO 0.09 -0.87 1.46 -0.65 -2.79 0.00 0.00 177.10 174.34 3ixw h PRO 183 N 8.43 0.52 0.18 0.43 0.11 -1.93 -3.24 132.00 136.49 3ixw h PRO 183 Ca -0.42 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 65.47 3ixw h PRO 183 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ixw h PRO 183 CO 0.93 0.75 -0.08 1.79 -0.21 0.00 0.00 178.00 181.18 3ixw h THR 184 N 0.25 0.87 0.00 -1.15 1.35 -1.90 0.23 112.91 112.56 3ixw h THR 184 Ca 0.06 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.88 3ixw h THR 184 Cb 0.58 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3ixw h THR 184 CO 0.03 0.21 -0.03 0.58 -0.25 0.00 0.00 175.52 176.06 3ixw h VAL 185 N -0.81 0.12 -0.43 6.82 2.07 -1.97 -0.42 116.25 121.63 3ixw h VAL 185 Ca -0.02 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3ixw h VAL 185 Cb 0.52 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3ixw h VAL 185 CO 0.04 0.03 0.03 0.23 0.02 0.00 0.00 177.57 177.92 3ixw n MET 186 N -3.20 3.66 0.00 1.57 2.81 -1.09 -5.00 117.12 115.87 3ixw n MET 186 Ca -0.01 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.87 3ixw n MET 186 Cb 0.23 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.70 3ixw n MET 186 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ixw n GLY 187 N -0.11 1.33 3.36 3.03 0.00 0.77 -4.84 105.19 108.74 3ixw n GLY 187 Ca 0.26 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 3ixw n GLY 187 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixw s LYS 188 N 0.00 1.22 0.57 1.61 -2.85 -0.95 -4.88 119.74 114.46 3ixw s LYS 188 Ca 0.00 -1.23 0.07 0.00 -1.00 0.00 0.00 55.97 53.81 3ixw s LYS 188 Cb 0.00 0.38 0.06 0.00 -2.06 0.00 0.00 37.83 36.21 3ixw s LYS 188 CO 0.00 -0.45 0.53 -1.83 0.10 0.00 0.00 175.35 173.70 3ixw s GLU 189 N -3.99 2.25 -0.30 1.78 1.03 -1.26 -4.45 118.70 113.74 3ixw s GLU 189 Ca 0.20 -1.95 0.01 0.00 0.03 0.00 0.00 54.97 53.27 3ixw s GLU 189 Cb 0.03 -2.25 0.09 0.00 -0.80 0.00 0.00 34.13 31.20 3ixw s GLU 189 CO 0.03 -0.74 0.04 0.15 -1.33 0.00 0.00 175.26 173.41 3ixw s LYS 190 N -4.42 1.25 -0.22 -4.83 -0.14 -1.26 -5.06 119.74 105.06 3ixw s LYS 190 Ca 0.41 -1.37 -0.35 0.00 -1.36 0.00 0.00 55.97 53.31 3ixw s LYS 190 Cb -0.03 -2.62 -0.12 0.00 -1.68 0.00 0.00 37.83 33.38 3ixw s LYS 190 CO 0.26 -0.87 1.99 -0.25 -0.76 0.00 0.00 175.35 175.73 3ixw n ASP 191 N 4.57 2.84 -2.60 2.83 9.92 -1.26 -2.85 116.55 129.99 3ixw n ASP 191 Ca -0.02 0.74 -0.21 0.00 -0.53 0.00 0.00 54.79 54.77 3ixw n ASP 191 Cb 0.43 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 3ixw n ASP 191 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ixw n ARG 192 N 7.14 -2.70 -0.04 -1.24 1.74 -1.26 -4.91 116.66 115.40 3ixw n ARG 192 Ca 0.30 0.97 0.04 0.00 -0.77 0.00 0.00 57.85 58.38 3ixw n ARG 192 Cb 0.26 -5.69 0.40 0.00 -1.02 0.00 0.00 32.46 26.40 3ixw n ARG 192 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3ixw h LYS 193 N -0.43 0.61 0.29 5.56 2.10 -1.89 -0.00 116.57 122.80 3ixw h LYS 193 Ca -0.50 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.10 3ixw h LYS 193 Cb 1.36 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3ixw h LYS 193 CO 0.57 0.40 -0.14 0.78 -2.00 0.00 0.00 179.45 179.07 3ixw h GLY 194 N 0.63 -0.40 0.74 0.07 0.00 -1.86 -1.10 103.07 101.15 3ixw h GLY 194 Ca 0.18 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.69 3ixw h GLY 194 CO -0.04 -0.15 0.19 -2.09 0.00 0.00 0.00 176.54 174.46 3ixw h GLU 195 N -0.88 0.38 -0.26 4.80 4.81 -1.32 0.13 114.58 122.25 3ixw h GLU 195 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3ixw h GLU 195 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3ixw h GLU 195 CO 0.06 0.25 0.12 1.25 -0.73 0.00 0.00 179.01 179.96 3ixw h LEU 196 N 0.39 0.31 -0.92 1.64 5.85 -1.05 -0.58 115.31 120.94 3ixw h LEU 196 Ca 0.18 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3ixw h LEU 196 Cb 0.11 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3ixw h LEU 196 CO -0.15 0.27 -0.30 0.15 -0.34 0.00 0.00 178.44 178.07 3ixw h PHE 197 N 0.36 0.48 0.61 1.25 3.57 0.30 -0.84 116.94 122.67 3ixw h PHE 197 Ca 0.09 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3ixw h PHE 197 Cb 0.05 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3ixw h PHE 197 CO 0.00 0.69 -0.50 0.35 -2.23 0.00 0.00 178.31 176.62 3ixw h PHE 198 N 0.37 -1.36 0.66 0.41 3.57 0.39 -3.33 116.94 117.65 3ixw h PHE 198 Ca 0.05 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3ixw h PHE 198 Cb 0.72 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3ixw h PHE 198 CO 0.02 -0.69 -0.36 -0.92 -2.23 0.00 0.00 178.31 174.13 3ixw h TYR 199 N -1.08 -0.94 -1.10 0.41 3.20 -0.92 -0.56 116.97 115.99 3ixw h TYR 199 Ca -0.08 -0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.08 3ixw h TYR 199 Cb 0.90 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 39.40 3ixw h TYR 199 CO -0.20 -0.55 0.72 1.98 -1.64 0.00 0.00 178.16 178.47 3ixw h MET 200 N -0.93 0.29 0.11 1.82 4.05 -1.37 0.28 114.93 119.19 3ixw h MET 200 Ca -0.09 -0.02 -0.29 0.00 -0.28 0.00 0.00 59.70 59.02 3ixw h MET 200 Cb 0.73 -0.07 0.03 0.00 -0.80 0.00 0.00 31.60 31.49 3ixw h MET 200 CO 0.12 0.19 -1.23 0.45 0.23 0.00 0.00 176.91 176.68 3ixw h HIS 201 N 0.30 0.95 0.41 1.39 3.86 -1.39 -1.09 115.15 119.57 3ixw h HIS 201 Ca 0.63 -0.60 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3ixw h HIS 201 Cb 1.77 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.17 3ixw h HIS 201 CO -0.00 1.44 -0.20 0.37 0.86 0.00 0.00 177.93 180.40 3ixw h GLN 202 N 0.26 -0.53 -0.76 2.45 -0.00 0.65 -1.92 115.11 115.27 3ixw h GLN 202 Ca -0.18 0.04 0.12 0.00 -0.00 0.00 0.00 58.65 58.63 3ixw h GLN 202 Cb 1.90 0.12 -0.09 0.00 0.00 0.00 0.00 27.48 29.41 3ixw h GLN 202 CO 0.23 -0.34 0.35 1.96 0.00 0.00 0.00 178.83 181.03 3ixw h GLN 203 N -0.56 0.52 -0.02 1.69 1.08 -0.57 0.37 115.11 117.61 3ixw h GLN 203 Ca -0.06 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3ixw h GLN 203 Cb 0.43 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 3ixw h GLN 203 CO 0.09 0.35 -0.34 0.52 -0.95 0.00 0.00 178.83 178.50 3ixw h MET 204 N 0.54 -0.46 0.00 1.46 2.86 -1.11 -1.21 114.93 117.01 3ixw h MET 204 Ca 0.40 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3ixw h MET 204 Cb 0.54 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3ixw h MET 204 CO -0.34 -0.31 0.00 0.00 1.06 0.00 0.00 176.91 177.32 3ixw h ALA 206 N 2.38 0.11 -0.23 0.00 0.00 -0.10 0.70 119.26 122.12 3ixw h ALA 206 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 54.91 53.84 3ixw h ALA 206 Cb 0.42 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3ixw h ALA 206 CO 0.00 0.98 0.03 0.00 0.00 0.00 0.00 179.25 180.26 3ixw h ARG 207 N 0.11 0.11 0.10 0.00 3.08 -1.04 -0.68 114.38 116.07 3ixw h ARG 207 Ca -0.33 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.74 3ixw h ARG 207 Cb 2.11 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 32.09 3ixw h ARG 207 CO 0.19 0.07 -0.33 -0.92 -1.07 0.00 0.00 179.97 177.92 3ixw h TYR 208 N 0.12 -0.90 -0.48 3.04 3.20 -1.28 -0.60 116.97 120.06 3ixw h TYR 208 Ca 0.10 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.14 3ixw h TYR 208 Cb 0.11 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3ixw h TYR 208 CO -0.16 -0.43 0.41 -0.44 -1.64 0.00 0.00 178.16 175.89 3ixw h ASP 209 N -0.54 0.00 0.28 -2.11 3.32 -0.58 0.30 116.42 117.09 3ixw h ASP 209 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3ixw h ASP 209 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3ixw h ASP 209 CO -0.21 0.00 -0.13 -1.28 -1.72 0.00 0.00 179.24 175.90 3ixw h SER 210 N 0.00 -0.32 -1.01 6.45 0.87 -0.76 -2.93 113.55 115.85 3ixw h SER 210 Ca 0.23 -0.21 0.26 0.00 -1.23 0.00 0.00 61.79 60.84 3ixw h SER 210 Cb 1.04 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.01 3ixw h SER 210 CO -0.00 0.10 0.68 -0.33 -0.53 0.00 0.00 176.83 176.75 3ixw h GLU 211 N -0.81 0.29 0.10 2.24 4.39 0.10 0.38 114.58 121.27 3ixw h GLU 211 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3ixw h GLU 211 Cb 0.51 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3ixw h GLU 211 CO 0.06 0.19 -0.05 0.00 -1.16 0.00 0.00 179.01 178.06 3ixw h ARG 212 N 0.30 -0.13 0.00 2.33 3.08 -0.61 -3.05 114.38 116.30 3ixw h ARG 212 Ca 0.54 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.56 3ixw h ARG 212 Cb 1.56 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 3ixw h ARG 212 CO -0.20 0.05 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.50 3ixw h LEU 213 N -0.30 0.00 -0.51 3.04 4.07 -0.74 0.91 115.31 121.78 3ixw h LEU 213 Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 3ixw h LEU 213 Cb 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3ixw h LEU 213 CO 0.02 0.19 0.20 0.28 -1.08 0.00 0.00 178.44 178.05 3ixw h SER 214 N 0.00 0.70 0.51 -0.43 0.02 -0.27 -1.41 113.55 112.67 3ixw h SER 214 Ca -0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3ixw h SER 214 Cb 0.43 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3ixw h SER 214 CO 0.02 0.68 0.00 0.59 -1.14 0.00 0.00 176.83 176.99 3ixw n ASN 215 N -4.54 0.61 -0.35 3.07 5.03 -1.16 -4.33 115.26 113.59 3ixw n ASN 215 Ca 0.02 0.69 -0.01 0.00 0.87 0.00 0.00 54.58 56.15 3ixw n ASN 215 Cb 0.16 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 3ixw n ASN 215 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ixw n GLY 216 N -0.39 0.68 3.82 7.41 0.00 -0.53 -5.08 105.19 111.10 3ixw n GLY 216 Ca 0.01 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3ixw n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixw s LEU 217 N -0.71 2.72 0.44 0.99 1.43 0.30 -4.99 118.68 118.86 3ixw s LEU 217 Ca 0.01 -1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 51.73 3ixw s LEU 217 Cb -0.00 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 3ixw s LEU 217 CO 0.01 -0.87 0.77 0.00 0.23 0.00 0.00 176.35 176.48 3ixw s GLN 218 N -4.06 3.65 0.69 1.70 -2.07 -1.26 -3.03 119.66 115.27 3ixw s GLN 218 Ca 0.28 0.31 -0.17 0.00 -1.82 0.00 0.00 55.36 53.96 3ixw s GLN 218 Cb 0.01 -2.40 -0.07 0.00 -1.09 0.00 0.00 33.01 29.46 3ixw s GLN 218 CO 0.17 -0.11 0.36 0.54 -1.32 0.00 0.00 175.29 174.93 3ixw n ARG 219 N -1.77 0.27 -2.63 9.60 3.00 -1.26 -4.60 116.66 119.28 3ixw n ARG 219 Ca 0.01 0.12 -0.42 0.00 -0.01 0.00 0.00 57.85 57.55 3ixw n ARG 219 Cb 0.55 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.32 3ixw n ARG 219 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3ixw s MET 220 N -2.39 4.49 0.03 5.56 1.75 -1.26 -4.99 119.30 122.48 3ixw s MET 220 Ca 0.63 1.51 -0.30 0.00 -1.25 0.00 0.00 55.69 56.27 3ixw s MET 220 Cb -0.37 -3.47 -0.07 0.00 2.84 0.00 0.00 34.83 33.77 3ixw s MET 220 CO 0.60 -0.19 1.51 -1.50 -0.65 0.00 0.00 175.02 174.79 3ixw s ILE 221 N 1.36 3.44 0.54 10.11 2.07 -1.26 -4.92 121.20 132.54 3ixw s ILE 221 Ca 0.53 0.84 -0.20 0.00 -1.41 0.00 0.00 60.65 60.41 3ixw s ILE 221 Cb -0.22 -3.54 -0.05 0.00 0.13 0.00 0.00 42.46 38.77 3ixw s ILE 221 CO 0.25 -0.00 1.17 -2.16 -1.91 0.00 0.00 174.94 172.29 3ixw s PRO 222 N 2.53 3.31 -1.37 3.50 0.04 -1.26 -4.25 135.00 137.49 3ixw s PRO 222 Ca 0.68 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 3ixw s PRO 222 Cb -0.35 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.23 3ixw s PRO 222 CO 0.29 -0.91 2.04 0.34 0.04 0.00 0.00 177.00 178.80 3ixw n PHE 223 N -1.23 3.36 0.08 0.56 7.35 0.12 -4.63 117.46 123.07 3ixw n PHE 223 Ca 0.11 -2.90 -0.10 0.00 -0.76 0.00 0.00 57.45 53.80 3ixw n PHE 223 Cb 0.50 -2.29 -0.07 0.00 0.35 0.00 0.00 39.48 37.97 3ixw n PHE 223 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3ixw h HIS 224 N 5.98 0.27 -3.03 -5.13 -0.00 -1.92 -3.45 115.15 107.87 3ixw h HIS 224 Ca 0.48 -0.17 -0.63 0.00 -0.00 0.00 0.00 60.37 60.05 3ixw h HIS 224 Cb 0.65 -0.02 -0.14 0.00 -0.00 0.00 0.00 27.41 27.90 3ixw h HIS 224 CO 1.36 1.06 -0.73 1.21 -0.00 0.00 0.00 177.93 180.83 3ixw s ASN 225 N -6.93 4.24 -0.02 3.26 2.47 -1.26 -5.04 114.94 111.66 3ixw s ASN 225 Ca -0.02 -0.57 0.17 0.00 0.42 0.00 0.00 52.86 52.86 3ixw s ASN 225 Cb 0.09 -0.72 -0.20 0.00 -1.45 0.00 0.00 41.25 38.98 3ixw s ASN 225 CO 0.84 0.11 0.60 0.49 -3.72 0.00 0.00 177.10 175.41 3ixw n PHE 226 N 0.08 0.66 -0.06 0.43 3.01 -1.26 -4.27 117.46 116.03 3ixw n PHE 226 Ca -0.11 0.22 -0.10 0.00 1.01 0.00 0.00 57.45 58.48 3ixw n PHE 226 Cb 0.55 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.98 3ixw n PHE 226 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3ixw h ASP 227 N 0.00 0.28 -2.23 4.37 3.32 -1.96 -3.35 116.42 116.85 3ixw h ASP 227 Ca -0.25 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.22 3ixw h ASP 227 Cb 1.72 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 41.23 3ixw h ASP 227 CO 0.04 0.20 1.06 -0.62 -1.72 0.00 0.00 179.24 178.20 3ixw n GLU 228 N -4.92 2.41 -1.36 3.56 -0.58 -1.26 -4.47 120.64 114.02 3ixw n GLU 228 Ca -0.02 0.88 -0.38 0.00 -0.42 0.00 0.00 57.16 57.22 3ixw n GLU 228 Cb 0.03 -2.73 0.04 0.00 -0.57 0.00 0.00 31.44 28.21 3ixw n GLU 228 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3ixw n PRO 229 N 5.85 0.36 -3.76 3.49 -0.02 -1.26 -4.80 135.00 134.86 3ixw n PRO 229 Ca 0.20 0.15 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 3ixw n PRO 229 Cb 0.33 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 3ixw n PRO 229 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ixw s LEU 230 N 1.28 4.39 0.85 2.45 1.02 0.34 -4.86 118.68 124.14 3ixw s LEU 230 Ca 0.65 0.60 -0.11 0.00 0.02 0.00 0.00 54.13 55.28 3ixw s LEU 230 Cb -0.41 -2.46 0.11 0.00 0.02 0.00 0.00 46.19 43.44 3ixw s LEU 230 CO 0.58 0.32 1.16 -1.61 0.02 0.00 0.00 176.35 176.82 3ixw s GLU 231 N -1.41 1.46 0.01 1.70 8.01 -1.26 -2.37 118.70 124.84 3ixw s GLU 231 Ca 0.23 1.58 -0.12 0.00 0.01 0.00 0.00 54.97 56.67 3ixw s GLU 231 Cb -0.13 -1.77 -0.05 0.00 -4.31 0.00 0.00 34.13 27.86 3ixw s GLU 231 CO 0.12 -2.31 0.36 0.20 0.01 0.00 0.00 175.26 173.64 3ixw s GLY 232 N -2.56 2.38 -0.27 -1.39 0.00 -1.26 -4.55 107.32 99.66 3ixw s GLY 232 Ca 0.68 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.81 3ixw s GLY 232 CO 0.54 -0.05 0.81 -0.47 0.00 0.00 0.00 173.10 173.94 3ixw s TYR 233 N -1.18 -0.70 -0.29 1.90 5.04 0.56 -4.86 117.35 117.83 3ixw s TYR 233 Ca 0.25 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 56.62 3ixw s TYR 233 Cb -0.15 0.31 0.07 0.00 0.35 0.00 0.00 41.96 42.54 3ixw s TYR 233 CO 0.14 -0.34 -0.05 0.00 -1.34 0.00 0.00 175.55 173.95 3ixw s ALA 234 N 0.37 2.68 0.52 3.97 0.00 -1.26 -1.10 121.76 126.93 3ixw s ALA 234 Ca 0.01 -2.03 0.20 0.00 0.00 0.00 0.00 51.96 50.14 3ixw s ALA 234 Cb -0.05 -1.72 1.37 0.00 0.00 0.00 0.00 23.12 22.72 3ixw s ALA 234 CO -0.02 -1.37 2.14 -1.00 0.00 0.00 0.00 175.76 175.52 3ixw h PRO 235 N 7.72 0.00 -4.34 0.00 0.13 -1.96 -3.47 132.00 130.08 3ixw h PRO 235 Ca -0.14 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.74 3ixw h PRO 235 Cb 1.03 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.27 3ixw h PRO 235 CO 0.48 0.04 -0.48 0.72 -0.23 0.00 0.00 178.00 178.53 3ixw n HIS 236 N -4.27 -1.76 -3.91 1.56 8.25 -1.26 -4.86 115.22 108.96 3ixw n HIS 236 Ca -0.03 0.67 -0.30 0.00 -0.26 0.00 0.00 57.72 57.80 3ixw n HIS 236 Cb 0.13 -3.87 -0.16 0.00 1.12 0.00 0.00 29.99 27.21 3ixw n HIS 236 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ixw s LEU 237 N -5.13 2.42 -0.01 2.41 1.02 -1.26 -0.37 118.68 117.77 3ixw s LEU 237 Ca 0.24 -1.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.13 3ixw s LEU 237 Cb -0.11 -1.11 -0.05 0.00 0.02 0.00 0.00 46.19 44.94 3ixw s LEU 237 CO 0.49 -0.25 0.33 0.42 0.02 0.00 0.00 176.35 177.37 3ixw s THR 238 N 1.45 5.18 -0.08 5.49 -4.23 -1.26 -3.58 115.64 118.59 3ixw s THR 238 Ca -0.05 0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 60.75 3ixw s THR 238 Cb -0.19 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3ixw s THR 238 CO -0.07 0.49 0.78 -0.94 -0.54 0.00 0.00 174.62 174.35 3ixw s SER 239 N -1.30 7.04 0.05 3.99 1.04 -0.63 -4.81 113.70 119.07 3ixw s SER 239 Ca 0.25 1.26 0.09 0.00 0.48 0.00 0.00 55.95 58.02 3ixw s SER 239 Cb -0.15 -2.45 0.40 0.00 0.10 0.00 0.00 66.02 63.92 3ixw s SER 239 CO 0.13 -0.21 1.28 0.00 0.98 0.00 0.00 173.24 175.41 3ixw n LEU 240 N 4.18 0.10 0.09 2.42 -0.00 -1.26 -2.78 117.00 119.75 3ixw n LEU 240 Ca 0.01 0.53 0.11 0.00 -0.00 0.00 0.00 56.01 56.67 3ixw n LEU 240 Cb 0.51 -0.53 0.45 0.00 -0.00 0.00 0.00 43.42 43.84 3ixw n LEU 240 CO 0.48 -0.45 0.85 1.33 -0.00 0.00 0.00 177.39 179.59 3ixw n VAL 241 N -1.62 0.76 -0.80 1.47 0.24 -1.26 -4.93 118.33 112.19 3ixw n VAL 241 Ca 0.01 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3ixw n VAL 241 Cb 0.08 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.46 3ixw n VAL 241 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3ixw n SER 242 N -2.06 1.33 -0.06 -1.34 2.88 -1.12 -4.99 113.62 108.25 3ixw n SER 242 Ca 0.03 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.56 3ixw n SER 242 Cb 0.26 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.56 3ixw n SER 242 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ixw n GLY 243 N 0.00 -0.99 2.82 0.46 0.00 -1.26 -4.86 105.19 101.36 3ixw n GLY 243 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 3ixw n GLY 243 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ixw n LEU 244 N -2.54 0.00 -3.78 0.99 4.32 -1.26 -4.67 117.00 110.06 3ixw n LEU 244 Ca -0.21 -0.90 -0.10 0.00 -0.02 0.00 0.00 56.01 54.79 3ixw n LEU 244 Cb 0.91 -0.83 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 3ixw n LEU 244 CO 0.44 -2.13 0.07 0.00 -1.22 0.00 0.00 177.39 174.55 3ixw s GLN 245 N -4.96 1.08 -0.37 3.23 -2.07 -1.26 -1.60 119.66 113.71 3ixw s GLN 245 Ca 0.58 -0.90 -0.27 0.00 -1.82 0.00 0.00 55.36 52.94 3ixw s GLN 245 Cb -0.07 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.21 3ixw s GLN 245 CO 0.45 -0.41 2.33 0.66 -1.32 0.00 0.00 175.29 177.00 3ixw n TYR 246 N -0.20 1.66 -1.66 9.60 4.02 -1.24 -4.07 117.16 125.28 3ixw n TYR 246 Ca -0.13 0.02 -0.46 0.00 -0.01 0.00 0.00 57.90 57.32 3ixw n TYR 246 Cb 0.63 -2.67 -0.03 0.00 -0.02 0.00 0.00 39.34 37.25 3ixw n TYR 246 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ixw n ALA 247 N 13.76 0.85 -2.66 -0.72 0.00 0.12 -4.89 120.51 126.97 3ixw n ALA 247 Ca 0.34 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.89 3ixw n ALA 247 Cb 0.48 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 3ixw n ALA 247 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ixw s SER 248 N 0.36 4.97 -0.21 0.00 1.04 -1.26 -3.91 113.70 114.68 3ixw s SER 248 Ca 0.71 -0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.82 3ixw s SER 248 Cb -0.69 -1.24 -0.01 0.00 0.10 0.00 0.00 66.02 64.18 3ixw s SER 248 CO 0.48 0.26 0.77 -0.60 0.98 0.00 0.00 173.24 175.14 3ixw s ARG 249 N -1.66 4.22 0.44 4.02 3.52 -0.26 -4.91 118.95 124.32 3ixw s ARG 249 Ca 0.20 0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 56.44 3ixw s ARG 249 Cb -0.11 -3.61 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 3ixw s ARG 249 CO 0.11 -0.39 1.16 -1.25 -0.81 0.00 0.00 175.30 174.12 3ixw s PRO 250 N 2.39 3.87 0.95 5.12 0.04 -1.26 -0.32 135.00 145.79 3ixw s PRO 250 Ca 0.34 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 3ixw s PRO 250 Cb -0.16 -2.48 0.17 0.00 0.04 0.00 0.00 34.50 32.06 3ixw s PRO 250 CO 0.10 -0.46 1.12 -1.83 0.04 0.00 0.00 177.00 175.97 3ixw s GLU 251 N -2.58 0.72 -0.20 4.56 1.03 -1.26 -4.26 118.70 116.71 3ixw s GLU 251 Ca 0.61 1.38 -0.00 0.00 0.03 0.00 0.00 54.97 56.99 3ixw s GLU 251 Cb -0.28 -1.71 0.00 0.00 -0.80 0.00 0.00 34.13 31.34 3ixw s GLU 251 CO 0.35 -2.78 0.02 0.41 -1.33 0.00 0.00 175.26 171.93 3ixw n GLY 252 N 0.21 0.33 3.44 -3.83 0.00 -1.00 -4.91 105.19 99.42 3ixw n GLY 252 Ca 0.10 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3ixw n GLY 252 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixw s TYR 253 N -2.22 3.04 0.64 1.61 1.51 -1.24 -4.89 117.35 115.80 3ixw s TYR 253 Ca 0.01 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.45 3ixw s TYR 253 Cb -0.00 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 3ixw s TYR 253 CO 0.01 -0.28 1.05 0.45 -1.11 0.00 0.00 175.55 175.67 3ixw s SER 254 N 1.13 5.72 0.43 2.29 0.15 -1.26 -0.51 113.70 121.65 3ixw s SER 254 Ca 0.03 1.66 -0.23 0.00 0.70 0.00 0.00 55.95 58.11 3ixw s SER 254 Cb -0.14 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.57 3ixw s SER 254 CO 0.02 -1.21 1.06 -0.51 1.20 0.00 0.00 173.24 173.79 3ixw s ILE 255 N -2.82 3.69 0.03 6.45 1.10 -1.26 -4.97 121.20 123.43 3ixw s ILE 255 Ca 0.60 1.23 0.04 0.00 -0.51 0.00 0.00 60.65 62.01 3ixw s ILE 255 Cb -0.14 -3.60 -0.02 0.00 0.15 0.00 0.00 42.46 38.85 3ixw s ILE 255 CO 0.46 -0.06 -0.13 -1.00 -2.11 0.00 0.00 174.94 172.11 3ixw s HIS 256 N -1.73 1.10 0.98 3.50 3.76 -1.26 -5.02 115.29 116.61 3ixw s HIS 256 Ca 0.61 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.08 3ixw s HIS 256 Cb -0.21 -0.66 0.16 0.00 1.11 0.00 0.00 32.58 32.98 3ixw s HIS 256 CO 0.26 0.01 1.00 -0.25 -0.85 0.00 0.00 174.74 174.91 3ixw n ASP 257 N 2.06 -0.42 -4.45 1.40 9.92 -1.26 -4.84 116.55 118.97 3ixw n ASP 257 Ca -0.17 0.29 -0.24 0.00 -0.53 0.00 0.00 54.79 54.13 3ixw n ASP 257 Cb 0.55 -1.39 -0.10 0.00 -0.64 0.00 0.00 41.12 39.54 3ixw n ASP 257 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3ixw s LEU 258 N -5.91 2.55 0.50 0.64 1.43 -0.16 -4.62 118.68 113.10 3ixw s LEU 258 Ca 0.66 -0.99 0.31 0.00 -1.03 0.00 0.00 54.13 53.08 3ixw s LEU 258 Cb -0.23 -1.08 1.69 0.00 0.03 0.00 0.00 46.19 46.60 3ixw s LEU 258 CO 0.61 0.04 1.94 0.28 0.23 0.00 0.00 176.35 179.45 3ixw h SER 259 N 2.54 0.00 0.00 2.29 0.02 -1.93 -3.28 113.55 113.18 3ixw h SER 259 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3ixw h SER 259 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3ixw h SER 259 CO 0.57 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 3ixw n ASP 260 N -2.63 0.00 -4.39 3.07 8.00 -1.26 -5.04 116.55 114.30 3ixw n ASP 260 Ca -0.02 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3ixw n ASP 260 Cb 0.11 -0.48 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 3ixw n ASP 260 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ixw s VAL 261 N -0.96 2.55 0.49 2.53 1.01 -1.24 -5.13 120.40 119.65 3ixw s VAL 261 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 3ixw s VAL 261 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 3ixw s VAL 261 CO 0.00 0.56 1.00 1.51 0.00 0.00 0.00 175.10 178.16 3ixw s ASP 262 N -0.75 6.55 0.51 3.32 -4.77 -1.26 -0.99 116.67 119.29 3ixw s ASP 262 Ca 0.11 1.73 0.15 0.00 -3.30 0.00 0.00 52.55 51.24 3ixw s ASP 262 Cb -0.10 -2.53 1.24 0.00 -1.09 0.00 0.00 42.92 40.43 3ixw s ASP 262 CO 0.00 -0.63 2.14 0.58 0.70 0.00 0.00 175.17 177.96 3ixw h VAL 263 N 1.34 1.01 0.38 2.11 2.07 -1.94 -2.14 116.25 119.08 3ixw h VAL 263 Ca -0.48 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3ixw h VAL 263 Cb 1.20 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3ixw h VAL 263 CO 0.60 0.01 -0.25 -0.61 0.02 0.00 0.00 177.57 177.35 3ixw h GLN 264 N 0.03 -0.58 0.00 1.57 4.15 -1.98 -0.82 115.11 117.47 3ixw h GLN 264 Ca 0.01 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3ixw h GLN 264 Cb 0.00 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ixw h GLN 264 CO -0.00 -0.39 -0.14 0.22 -1.93 0.00 0.00 178.83 176.59 3ixw h ASP 265 N -0.61 0.00 -0.06 -0.69 3.58 -1.77 0.26 116.42 117.13 3ixw h ASP 265 Ca -0.04 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.42 3ixw h ASP 265 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3ixw h ASP 265 CO 0.03 0.14 -0.01 0.24 -2.88 0.00 0.00 179.24 176.76 3ixw h MET 266 N 0.00 0.01 -0.72 0.28 2.86 -1.44 -0.52 114.93 115.40 3ixw h MET 266 Ca -0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3ixw h MET 266 Cb 0.33 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3ixw h MET 266 CO 0.02 0.01 0.33 0.28 1.06 0.00 0.00 176.91 178.60 3ixw h VAL 267 N 0.01 1.23 -0.21 -2.22 2.07 0.78 -2.25 116.25 115.67 3ixw h VAL 267 Ca 0.03 -0.67 -0.21 0.00 0.82 0.00 0.00 66.70 66.67 3ixw h VAL 267 Cb 0.04 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ixw h VAL 267 CO -0.05 0.28 -0.67 -0.09 0.02 0.00 0.00 177.57 177.05 3ixw h ARG 268 N 1.02 0.82 -1.00 1.57 2.43 -0.53 -2.63 114.38 116.06 3ixw h ARG 268 Ca 0.25 -0.61 0.19 0.00 -0.81 0.00 0.00 59.98 59.00 3ixw h ARG 268 Cb 0.12 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.68 3ixw h ARG 268 CO -0.03 1.22 0.61 -1.49 -1.51 0.00 0.00 179.97 178.78 3ixw h TRP 269 N 0.57 1.04 -0.37 2.20 6.55 -0.82 0.23 115.95 125.35 3ixw h TRP 269 Ca -0.03 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.76 3ixw h TRP 269 Cb 1.30 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 29.26 3ixw h TRP 269 CO 0.08 0.24 -0.12 -0.09 -1.05 0.00 0.00 178.44 177.51 3ixw h ARG 270 N 0.76 0.66 0.10 0.49 2.43 -1.18 -2.19 114.38 115.44 3ixw h ARG 270 Ca 0.57 -0.21 -0.17 0.00 -0.81 0.00 0.00 59.98 59.36 3ixw h ARG 270 Cb 0.90 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3ixw h ARG 270 CO -0.36 0.76 -0.74 0.93 -1.51 0.00 0.00 179.97 179.04 3ixw h GLU 271 N 0.60 0.32 -1.27 0.20 4.39 -0.38 -1.28 114.58 117.16 3ixw h GLU 271 Ca 0.10 -0.48 0.37 0.00 0.34 0.00 0.00 59.36 59.69 3ixw h GLU 271 Cb 0.55 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.32 3ixw h GLU 271 CO 0.03 1.20 0.92 0.00 -1.16 0.00 0.00 179.01 180.00 3ixw h ARG 272 N -0.31 0.00 0.00 2.33 3.08 -0.72 -2.12 114.38 116.64 3ixw h ARG 272 Ca -0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3ixw h ARG 272 Cb 1.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 3ixw h ARG 272 CO 0.14 0.00 -0.66 0.82 -1.07 0.00 0.00 179.97 179.20 3ixw h ILE 273 N 0.00 0.82 0.00 2.04 2.04 -1.07 -3.30 117.51 118.04 3ixw h ILE 273 Ca 0.60 -1.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 3ixw h ILE 273 Cb 2.43 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 40.28 3ixw h ILE 273 CO -0.01 0.28 -0.37 -0.07 0.00 0.00 0.00 178.15 177.98 3ixw h LEU 274 N -1.00 0.00 -0.60 1.44 3.38 -0.96 0.34 115.31 117.91 3ixw h LEU 274 Ca -0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ixw h LEU 274 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3ixw h LEU 274 CO -0.09 0.37 0.36 -0.78 0.09 0.00 0.00 178.44 178.39 3ixw h ASP 275 N 0.00 0.72 0.54 -0.43 3.58 -1.60 -2.24 116.42 116.98 3ixw h ASP 275 Ca -0.00 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 3ixw h ASP 275 Cb 0.67 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3ixw h ASP 275 CO 0.05 0.57 -0.19 0.00 -2.88 0.00 0.00 179.24 176.78 3ixw h ALA 276 N 1.18 1.21 0.10 -0.78 0.00 -0.46 0.17 119.26 120.68 3ixw h ALA 276 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ixw h ALA 276 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ixw h ALA 276 CO -0.04 0.24 -0.05 0.82 0.00 0.00 0.00 179.25 180.22 3ixw h ILE 277 N 0.00 1.00 -0.74 0.00 2.04 -0.91 0.28 117.51 119.18 3ixw h ILE 277 Ca -0.00 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ixw h ILE 277 Cb 0.51 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3ixw h ILE 277 CO 0.02 0.09 0.49 0.78 0.00 0.00 0.00 178.15 179.53 3ixw h ASN 278 N -0.30 0.84 1.33 1.72 2.35 -0.75 0.44 115.58 121.22 3ixw h ASN 278 Ca -0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3ixw h ASN 278 Cb 0.25 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3ixw h ASN 278 CO 0.02 0.61 -0.01 0.24 -1.65 0.00 0.00 177.43 176.64 3ixw h MET 279 N 1.00 0.00 -1.68 0.81 2.86 -0.77 -3.48 114.93 113.67 3ixw h MET 279 Ca 0.28 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.67 3ixw h MET 279 Cb -0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3ixw h MET 279 CO -0.07 0.01 -0.31 0.72 1.06 0.00 0.00 176.91 178.32 3ixw n HIS 280 N -3.10 -0.54 -3.97 -0.22 8.25 0.86 -5.01 115.22 111.49 3ixw n HIS 280 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 3ixw n HIS 280 Cb 0.38 -2.74 -0.05 0.00 1.12 0.00 0.00 29.99 28.70 3ixw n HIS 280 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3ixw s TYR 281 N -2.61 0.30 0.01 4.41 -0.85 -0.44 -0.79 117.35 117.38 3ixw s TYR 281 Ca 0.00 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 55.92 3ixw s TYR 281 Cb 0.00 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 3ixw s TYR 281 CO 0.00 -0.98 -0.10 0.96 -1.52 0.00 0.00 175.55 173.91 3ixw s ILE 282 N -4.00 0.82 -0.35 -3.49 -4.36 -0.96 -4.65 121.20 104.21 3ixw s ILE 282 Ca 0.20 -0.67 -0.14 0.00 -0.26 0.00 0.00 60.65 59.79 3ixw s ILE 282 Cb -0.01 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.96 3ixw s ILE 282 CO 0.07 0.06 0.27 0.68 0.24 0.00 0.00 174.94 176.27 3ixw s VAL 283 N -0.56 5.26 0.99 8.37 -7.23 -1.26 -1.13 120.40 124.83 3ixw s VAL 283 Ca 0.01 -0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 3ixw s VAL 283 Cb -0.06 -3.76 0.18 0.00 0.56 0.00 0.00 36.38 33.31 3ixw s VAL 283 CO 0.00 -0.06 1.18 -1.81 -0.31 0.00 0.00 175.10 174.10 3ixw s ASP 284 N 1.72 2.86 0.00 4.85 1.11 -1.19 -4.25 116.67 121.77 3ixw s ASP 284 Ca 0.07 0.72 0.00 0.00 0.18 0.00 0.00 52.55 53.52 3ixw s ASP 284 Cb -0.17 -1.09 0.00 0.00 1.07 0.00 0.00 42.92 42.73 3ixw s ASP 284 CO 0.11 -2.93 0.41 0.29 1.18 0.00 0.00 175.17 174.23 3ixw n LYS 285 N -3.98 0.00 0.00 8.23 4.76 0.83 -0.68 118.16 127.32 3ixw n LYS 285 Ca 0.10 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.63 3ixw n LYS 285 Cb 0.59 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 32.28 3ixw n LYS 285 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3ixw n ASP 286 N -0.90 1.35 0.00 4.39 5.75 -1.26 -5.01 116.55 120.85 3ixw n ASP 286 Ca 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3ixw n ASP 286 Cb 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 3ixw n ASP 286 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ixw n ASN 287 N -0.68 0.00 -4.73 -1.12 3.02 0.15 -5.05 115.26 106.85 3ixw n ASN 287 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 3ixw n ASN 287 Cb 0.33 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.46 3ixw n ASN 287 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ixw s ASN 288 N -3.12 7.26 -0.55 6.41 0.01 -1.26 -4.74 114.94 118.94 3ixw s ASN 288 Ca 0.00 1.50 -0.28 0.00 -0.71 0.00 0.00 52.86 53.37 3ixw s ASN 288 Cb 0.00 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.20 3ixw s ASN 288 CO 0.00 -0.05 1.18 -0.54 -1.51 0.00 0.00 177.10 176.18 3ixw s LYS 289 N 0.18 3.57 0.03 -0.60 3.01 -1.26 -3.18 119.74 121.49 3ixw s LYS 289 Ca 0.41 0.33 -0.06 0.00 -1.01 0.00 0.00 55.97 55.65 3ixw s LYS 289 Cb -0.21 -3.98 -0.05 0.00 -1.01 0.00 0.00 37.83 32.58 3ixw s LYS 289 CO 0.24 -1.60 0.28 0.96 0.51 0.00 0.00 175.35 175.75 3ixw s ILE 290 N 4.81 5.28 0.29 2.17 -4.36 -0.28 -4.92 121.20 124.19 3ixw s ILE 290 Ca 0.44 0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.67 3ixw s ILE 290 Cb -0.07 -3.58 -0.10 0.00 1.25 0.00 0.00 42.46 39.96 3ixw s ILE 290 CO 0.27 0.31 1.26 -2.84 0.24 0.00 0.00 174.94 174.18 3ixw s PRO 291 N -1.91 4.43 -1.33 0.37 0.02 -1.26 -2.26 135.00 133.05 3ixw s PRO 291 Ca 0.30 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 63.27 3ixw s PRO 291 Cb -0.13 -3.12 0.11 0.00 0.02 0.00 0.00 34.50 31.38 3ixw s PRO 291 CO 0.18 -0.10 1.91 1.28 -0.33 0.00 0.00 177.00 179.94 3ixw n LEU 292 N 1.25 6.26 -4.58 -5.54 4.77 0.03 -4.69 117.00 114.51 3ixw n LEU 292 Ca 0.01 -4.35 -0.28 0.00 -0.03 0.00 0.00 56.01 51.36 3ixw n LEU 292 Cb 0.43 -1.60 0.22 0.00 -2.33 0.00 0.00 43.42 40.13 3ixw n LEU 292 CO 0.58 1.01 0.58 -0.62 -1.33 0.00 0.00 177.39 177.61 3ixw s ASP 293 N 2.42 1.73 0.03 -1.43 2.15 -1.26 -4.83 116.67 115.48 3ixw s ASP 293 Ca 0.45 1.39 -0.31 0.00 0.43 0.00 0.00 52.55 54.51 3ixw s ASP 293 Cb 0.08 -2.12 -0.17 0.00 -0.30 0.00 0.00 42.92 40.42 3ixw s ASP 293 CO -0.02 -3.71 1.27 0.40 -0.17 0.00 0.00 175.17 172.94 3ixw h ILE 294 N -2.29 0.00 0.24 4.11 2.04 -2.00 -2.83 117.51 116.79 3ixw h ILE 294 Ca -0.58 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3ixw h ILE 294 Cb 1.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3ixw h ILE 294 CO 0.53 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 178.24 3ixw h GLU 295 N -1.30 -0.32 -0.34 2.37 5.08 -2.00 -3.36 114.58 114.72 3ixw h GLU 295 Ca -0.11 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3ixw h GLU 295 Cb 0.85 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3ixw h GLU 295 CO 0.19 -0.21 0.01 0.45 -1.00 0.00 0.00 179.01 178.44 3ixw h HIS 296 N -0.41 0.54 -1.47 4.33 3.86 -1.94 -3.24 115.15 116.82 3ixw h HIS 296 Ca -0.03 -0.05 0.47 0.00 -1.16 0.00 0.00 60.37 59.59 3ixw h HIS 296 Cb 0.25 -0.16 -0.12 0.00 1.06 0.00 0.00 27.41 28.45 3ixw h HIS 296 CO 0.12 0.53 0.98 0.78 0.86 0.00 0.00 177.93 181.19 3ixw h GLY 297 N 0.82 0.99 1.34 2.45 0.00 -1.64 0.49 103.07 107.53 3ixw h GLY 297 Ca 0.11 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 3ixw h GLY 297 CO 0.01 -0.32 -1.30 -0.84 0.00 0.00 0.00 176.54 174.09 3ixw h THR 298 N 0.05 0.93 -0.20 4.70 2.02 -1.80 0.25 112.91 118.86 3ixw h THR 298 Ca 0.85 -2.58 -0.15 0.00 0.77 0.00 0.00 66.41 65.29 3ixw h THR 298 Cb 2.87 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 71.68 3ixw h THR 298 CO -0.33 0.53 -0.46 -0.78 0.37 0.00 0.00 175.52 174.85 3ixw h ASP 299 N 0.00 0.75 1.56 4.18 1.82 -1.17 -1.05 116.42 122.51 3ixw h ASP 299 Ca -0.15 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 55.92 3ixw h ASP 299 Cb 1.75 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.54 3ixw h ASP 299 CO 0.08 1.18 0.00 0.16 -1.61 0.00 0.00 179.24 179.05 3ixw h ILE 300 N 0.35 0.00 0.11 2.25 3.07 -1.32 -0.02 117.51 121.95 3ixw h ILE 300 Ca -0.00 -0.62 -0.29 0.00 1.55 0.00 0.00 64.86 65.49 3ixw h ILE 300 Cb 1.08 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 39.22 3ixw h ILE 300 CO 0.10 0.00 -1.43 0.25 -1.05 0.00 0.00 178.15 176.02 3ixw h LEU 301 N 0.00 0.38 -0.27 0.16 5.85 -0.52 -3.32 115.31 117.58 3ixw h LEU 301 Ca 0.00 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 3ixw h LEU 301 Cb 0.78 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3ixw h LEU 301 CO 0.00 1.39 -0.24 1.23 -0.34 0.00 0.00 178.44 180.48 3ixw h GLY 302 N 1.75 0.69 0.97 3.75 0.00 -0.84 -0.67 103.07 108.72 3ixw h GLY 302 Ca -0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 3ixw h GLY 302 CO 0.17 0.63 0.22 1.29 0.00 0.00 0.00 176.54 178.85 3ixw h ASP 303 N 0.36 0.48 0.04 0.19 3.04 -1.20 -2.89 116.42 116.44 3ixw h ASP 303 Ca 0.05 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 3ixw h ASP 303 Cb 0.80 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.96 3ixw h ASP 303 CO 0.06 0.41 -0.05 0.40 -2.04 0.00 0.00 179.24 178.02 3ixw h ILE 304 N 0.50 0.87 -0.05 4.15 2.04 -1.65 0.37 117.51 123.74 3ixw h ILE 304 Ca 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 3ixw h ILE 304 Cb 0.03 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3ixw h ILE 304 CO -0.02 0.00 -0.30 -0.29 0.00 0.00 0.00 178.15 177.53 3ixw h ILE 305 N -0.12 1.24 0.48 -0.67 -0.00 -1.14 -3.38 117.51 113.92 3ixw h ILE 305 Ca 0.01 -1.14 -0.01 0.00 -0.00 0.00 0.00 64.86 63.72 3ixw h ILE 305 Cb 0.12 1.54 -0.01 0.00 -0.00 0.00 0.00 36.82 38.47 3ixw h ILE 305 CO -0.02 0.33 -0.35 -0.08 -0.00 0.00 0.00 178.15 178.03 3ixw h GLU 306 N 0.09 -0.78 -6.26 2.19 4.81 -1.51 -1.29 114.58 111.83 3ixw h GLU 306 Ca 0.01 0.05 -0.46 0.00 -0.13 0.00 0.00 59.36 58.84 3ixw h GLU 306 Cb 0.59 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3ixw h GLU 306 CO 0.04 -0.52 -0.38 -1.54 -0.73 0.00 0.00 179.01 175.88 3ixw s SER 307 N -4.51 6.23 0.56 1.04 1.04 -1.26 -2.16 113.70 114.64 3ixw s SER 307 Ca -0.17 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.40 3ixw s SER 307 Cb 0.05 -1.73 0.08 0.00 0.10 0.00 0.00 66.02 64.52 3ixw s SER 307 CO 0.63 -0.18 0.77 -0.44 0.98 0.00 0.00 173.24 175.00 3ixw s SER 308 N -4.03 5.14 0.34 7.02 0.01 0.13 -4.83 113.70 117.48 3ixw s SER 308 Ca 0.37 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.90 3ixw s SER 308 Cb -0.09 0.16 0.65 0.00 0.21 0.00 0.00 66.02 66.95 3ixw s SER 308 CO 0.30 -1.29 1.95 0.44 0.41 0.00 0.00 173.24 175.06 3ixw h ASP 309 N 0.21 0.76 0.01 2.44 5.19 -0.91 -1.89 116.42 122.22 3ixw h ASP 309 Ca -0.31 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3ixw h ASP 309 Cb 1.29 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3ixw h ASP 309 CO 0.41 0.50 0.00 -0.62 -3.12 0.00 0.00 179.24 176.41 3ixw n GLU 310 N -4.47 0.01 -2.15 3.56 1.02 -1.26 -4.66 120.64 112.69 3ixw n GLU 310 Ca 0.11 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 3ixw n GLU 310 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3ixw n GLU 310 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ixw s SER 311 N -2.35 5.90 0.33 1.62 0.15 -0.71 -4.71 113.70 113.92 3ixw s SER 311 Ca 0.01 0.83 0.08 0.00 0.70 0.00 0.00 55.95 57.57 3ixw s SER 311 Cb 0.00 -2.53 0.81 0.00 -1.71 0.00 0.00 66.02 62.59 3ixw s SER 311 CO 0.01 -1.79 1.80 0.11 1.20 0.00 0.00 173.24 174.57 3ixw h LYS 312 N 12.53 0.68 -4.57 5.44 1.57 -1.88 -3.33 116.57 127.00 3ixw h LYS 312 Ca -0.29 -0.04 -0.43 0.00 -1.87 0.00 0.00 60.65 58.02 3ixw h LYS 312 Cb 1.14 -0.15 -0.31 0.00 0.08 0.00 0.00 32.23 32.99 3ixw h LYS 312 CO 1.11 0.45 -0.79 1.21 -0.57 0.00 0.00 179.45 180.86 3ixw s ASN 313 N -5.49 1.21 -0.24 0.86 3.84 -1.26 -0.12 114.94 113.73 3ixw s ASN 313 Ca -0.11 -0.19 -0.05 0.00 0.21 0.00 0.00 52.86 52.73 3ixw s ASN 313 Cb 0.24 -0.33 -0.17 0.00 -0.55 0.00 0.00 41.25 40.44 3ixw s ASN 313 CO 0.80 0.06 -0.16 1.33 -2.79 0.00 0.00 177.10 176.34 3ixw n VAL 314 N 3.32 1.54 0.09 -5.21 0.24 -1.25 -3.67 118.33 113.39 3ixw n VAL 314 Ca -0.18 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.39 3ixw n VAL 314 Cb 0.54 -1.62 -0.13 0.00 -1.47 0.00 0.00 33.84 31.16 3ixw n VAL 314 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 3ixw h GLU 315 N -0.32 0.63 0.51 7.34 4.11 -1.95 0.24 114.58 125.14 3ixw h GLU 315 Ca -0.58 -0.84 -0.03 0.00 0.07 0.00 0.00 59.36 57.98 3ixw h GLU 315 Cb 1.81 0.28 0.01 0.00 0.50 0.00 0.00 28.75 31.34 3ixw h GLU 315 CO -0.16 1.39 -0.25 -0.92 0.07 0.00 0.00 179.01 179.14 3ixw h TYR 316 N 0.28 -0.64 0.00 2.06 3.20 -1.97 -3.31 116.97 116.59 3ixw h TYR 316 Ca -0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3ixw h TYR 316 Cb 1.93 0.21 0.00 0.00 1.54 0.00 0.00 36.73 40.41 3ixw h TYR 316 CO 0.12 -0.31 -0.60 0.66 -1.64 0.00 0.00 178.16 176.38 3ixw n TYR 317 N -5.27 0.11 -4.11 -3.82 4.01 -1.24 -4.69 117.16 102.14 3ixw n TYR 317 Ca -0.11 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3ixw n TYR 317 Cb 0.32 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3ixw n TYR 317 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ixw n GLY 318 N 1.46 -0.44 2.48 2.72 0.00 0.84 -4.10 105.19 108.15 3ixw n GLY 318 Ca 0.05 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 3ixw n GLY 318 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ixw n SER 319 N 0.38 2.10 -0.23 1.61 7.64 -1.26 -4.53 113.62 119.32 3ixw n SER 319 Ca 0.00 -3.14 0.12 0.00 1.01 0.00 0.00 58.87 56.85 3ixw n SER 319 Cb 0.00 -0.57 0.40 0.00 -1.01 0.00 0.00 64.21 63.03 3ixw n SER 319 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3ixw h LEU 320 N 2.95 0.61 0.58 -3.43 5.85 -1.41 0.15 115.31 120.61 3ixw h LEU 320 Ca 0.08 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3ixw h LEU 320 Cb 0.93 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3ixw h LEU 320 CO 0.60 0.33 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.82 3ixw h HIS 321 N 0.65 -1.28 -0.28 1.25 2.76 -1.53 -1.34 115.15 115.38 3ixw h HIS 321 Ca 0.41 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 3ixw h HIS 321 Cb 0.66 0.48 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 3ixw h HIS 321 CO -0.00 -0.65 0.13 -0.91 -1.30 0.00 0.00 177.93 175.19 3ixw h ASN 322 N -1.02 0.37 -0.34 3.26 4.21 -0.27 -3.15 115.58 118.65 3ixw h ASN 322 Ca -0.08 -0.14 0.03 0.00 1.21 0.00 0.00 56.30 57.32 3ixw h ASN 322 Cb 0.85 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.92 3ixw h ASN 322 CO 0.00 0.41 0.15 -0.50 -1.29 0.00 0.00 177.43 176.21 3ixw h TRP 323 N 0.31 0.28 -0.92 1.19 4.06 -1.06 0.48 115.95 120.29 3ixw h TRP 323 Ca 0.09 0.02 0.20 0.00 2.06 0.00 0.00 58.89 61.27 3ixw h TRP 323 Cb 0.14 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 28.16 3ixw h TRP 323 CO -0.01 0.14 0.60 0.78 -3.56 0.00 0.00 178.44 176.39 3ixw h GLY 324 N 0.32 0.96 1.00 1.49 0.00 -1.27 -0.10 103.07 105.47 3ixw h GLY 324 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ixw h GLY 324 CO -0.12 -0.01 0.35 0.45 0.00 0.00 0.00 176.54 177.21 3ixw h HIS 325 N 0.44 0.76 0.64 5.60 3.86 -0.86 0.74 115.15 126.33 3ixw h HIS 325 Ca 0.48 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.67 3ixw h HIS 325 Cb 1.16 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 3ixw h HIS 325 CO -0.00 0.52 -0.37 0.28 0.86 0.00 0.00 177.93 179.21 3ixw h VAL 326 N 0.79 0.00 -0.88 2.45 2.07 -0.68 -2.64 116.25 117.35 3ixw h VAL 326 Ca 0.21 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.88 3ixw h VAL 326 Cb -0.02 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.68 3ixw h VAL 326 CO -0.04 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.12 3ixw h MET 327 N -0.94 0.62 0.00 1.57 -0.00 -1.54 0.17 114.93 114.82 3ixw h MET 327 Ca -0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 3ixw h MET 327 Cb 0.75 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 3ixw h MET 327 CO 0.10 0.41 0.00 -1.33 -0.00 0.00 0.00 176.91 176.09 3ixw n MET 328 N -4.55 0.23 -0.05 -0.10 2.81 0.25 -3.18 117.12 112.52 3ixw n MET 328 Ca 0.17 0.30 -0.06 0.00 -1.81 0.00 0.00 57.70 56.31 3ixw n MET 328 Cb 0.50 -1.83 -0.08 0.00 -0.71 0.00 0.00 33.22 31.10 3ixw n MET 328 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ixw n ALA 329 N -1.78 1.75 -0.21 3.04 0.00 -0.49 -4.23 120.51 118.59 3ixw n ALA 329 Ca 0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 3ixw n ALA 329 Cb 0.34 0.07 0.11 0.00 0.00 0.00 0.00 19.45 19.97 3ixw n ALA 329 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ixw n ASN 330 N -2.47 3.42 0.01 0.00 0.23 0.49 -0.35 115.26 116.60 3ixw n ASN 330 Ca -0.18 -2.86 0.01 0.00 -0.53 0.00 0.00 54.58 51.03 3ixw n ASN 330 Cb 0.81 -0.68 0.07 0.00 -2.08 0.00 0.00 39.78 37.90 3ixw n ASN 330 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ixw n ILE 331 N -0.36 1.87 0.01 1.53 0.13 -1.19 -0.39 119.36 120.96 3ixw n ILE 331 Ca 0.32 0.51 -0.12 0.00 -1.10 0.00 0.00 62.75 62.35 3ixw n ILE 331 Cb 1.12 -1.50 -0.14 0.00 -0.84 0.00 0.00 39.64 38.29 3ixw n ILE 331 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ixw h THR 332 N 0.00 0.98 -0.24 9.51 1.03 -1.91 -3.47 112.91 118.81 3ixw h THR 332 Ca 0.00 -2.75 -0.11 0.00 -0.01 0.00 0.00 66.41 63.54 3ixw h THR 332 Cb 0.01 2.56 -0.14 0.00 -1.07 0.00 0.00 68.15 69.51 3ixw h THR 332 CO 0.00 0.68 -0.28 -0.67 -0.01 0.00 0.00 175.52 175.24 3ixw n ASP 333 N -3.24 -2.24 -0.04 0.00 2.03 0.48 -5.03 116.55 108.51 3ixw n ASP 333 Ca -0.17 -2.27 -0.13 0.00 0.52 0.00 0.00 54.79 52.73 3ixw n ASP 333 Cb 1.04 1.25 -0.08 0.00 -0.72 0.00 0.00 41.12 42.60 3ixw n ASP 333 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ixw h PRO 334 N 4.00 0.25 -0.84 -0.67 0.13 -1.65 -3.22 132.00 129.98 3ixw h PRO 334 Ca -0.10 -0.15 0.18 0.00 -0.87 0.00 0.00 66.00 65.06 3ixw h PRO 334 Cb 1.13 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3ixw h PRO 334 CO 0.02 0.72 0.56 0.22 -0.23 0.00 0.00 178.00 179.29 3ixw h ASP 335 N -0.20 0.40 -0.10 1.44 1.82 -1.90 -3.41 116.42 114.46 3ixw h ASP 335 Ca 0.01 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 3ixw h ASP 335 Cb 0.70 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 3ixw h ASP 335 CO 0.03 0.18 -0.04 1.57 -1.61 0.00 0.00 179.24 179.37 3ixw n HIS 336 N -4.49 0.00 -0.33 0.28 -0.00 -1.22 -4.93 115.22 104.54 3ixw n HIS 336 Ca 0.17 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.98 3ixw n HIS 336 Cb 0.63 -0.80 0.26 0.00 -0.00 0.00 0.00 29.99 30.09 3ixw n HIS 336 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 3ixw h ARG 337 N 0.43 0.70 -0.67 1.57 0.11 -1.89 -2.95 114.38 111.69 3ixw h ARG 337 Ca -0.04 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3ixw h ARG 337 Cb 0.27 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3ixw h ARG 337 CO 0.07 0.47 0.00 1.19 0.10 0.00 0.00 179.97 181.79 3ixw n PHE 338 N -4.80 0.89 -1.17 4.08 3.72 -1.26 -4.99 117.46 113.93 3ixw n PHE 338 Ca 0.20 -0.49 -0.06 0.00 -0.05 0.00 0.00 57.45 57.05 3ixw n PHE 338 Cb 0.47 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.98 3ixw n PHE 338 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ixw n GLN 339 N 1.50 -1.31 -1.80 -1.08 6.02 -1.11 -4.96 117.38 114.63 3ixw n GLN 339 Ca 0.23 0.63 -0.41 0.00 -0.01 0.00 0.00 57.00 57.43 3ixw n GLN 339 Cb 0.60 -4.74 -0.00 0.00 1.02 0.00 0.00 30.24 27.11 3ixw n GLN 339 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ixw s GLU 340 N -2.17 4.12 -0.11 -1.09 2.02 -1.26 -4.95 118.70 115.25 3ixw s GLU 340 Ca 0.00 2.57 -0.29 0.00 0.02 0.00 0.00 54.97 57.26 3ixw s GLU 340 Cb 0.00 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 3ixw s GLU 340 CO 0.00 -0.55 1.67 -0.80 0.02 0.00 0.00 175.26 175.60 3ixw s ASN 341 N -0.01 6.53 1.15 -0.19 -0.87 -1.26 -4.92 114.94 115.37 3ixw s ASN 341 Ca 0.55 2.05 -0.13 0.00 -1.57 0.00 0.00 52.86 53.76 3ixw s ASN 341 Cb -0.47 -2.53 0.25 0.00 -0.02 0.00 0.00 41.25 38.48 3ixw s ASN 341 CO 0.60 -1.06 0.87 -2.65 -2.57 0.00 0.00 177.10 172.28 3ixw n PRO 342 N 7.35 -2.18 -1.83 -0.60 -0.02 -1.26 0.11 135.00 136.57 3ixw n PRO 342 Ca 0.18 -0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 60.67 3ixw n PRO 342 Cb 0.44 -2.11 0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3ixw n PRO 342 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ixw s GLY 343 N -2.33 2.90 0.00 -1.23 0.00 0.53 -4.12 107.32 103.07 3ixw s GLY 343 Ca 0.67 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.74 3ixw s GLY 343 CO 0.65 1.91 0.53 3.33 0.00 0.00 0.00 173.10 179.53 3ixw n VAL 344 N -0.59 0.57 0.66 1.40 0.24 -1.26 -1.99 118.33 117.36 3ixw n VAL 344 Ca 0.08 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 3ixw n VAL 344 Cb 0.44 -1.28 0.47 0.00 -1.47 0.00 0.00 33.84 32.00 3ixw n VAL 344 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3ixw n MET 345 N -1.03 0.14 0.20 7.34 0.00 -1.26 -1.01 117.12 121.49 3ixw n MET 345 Ca 0.00 0.20 0.14 0.00 -0.00 0.00 0.00 57.70 58.05 3ixw n MET 345 Cb 0.14 -1.69 0.57 0.00 0.00 0.00 0.00 33.22 32.23 3ixw n MET 345 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3ixw h SER 346 N 0.00 0.00 -3.55 6.12 0.02 -1.67 -3.44 113.55 111.04 3ixw h SER 346 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3ixw h SER 346 Cb 0.53 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.90 3ixw h SER 346 CO 0.00 0.00 -0.76 -0.62 -1.14 0.00 0.00 176.83 174.31 3ixw s ASP 347 N -4.99 2.51 0.15 3.07 2.15 -1.24 -3.63 116.67 114.67 3ixw s ASP 347 Ca 0.03 -0.90 0.15 0.00 0.43 0.00 0.00 52.55 52.26 3ixw s ASP 347 Cb 0.09 -0.13 -0.07 0.00 -0.30 0.00 0.00 42.92 42.51 3ixw s ASP 347 CO 0.48 -0.10 1.12 0.00 -0.17 0.00 0.00 175.17 176.50 3ixw h THR 348 N 3.09 0.79 -0.01 1.71 1.03 -1.86 -3.18 112.91 114.47 3ixw h THR 348 Ca -0.40 -2.26 -0.17 0.00 -0.01 0.00 0.00 66.41 63.56 3ixw h THR 348 Cb 1.21 2.29 -0.02 0.00 -1.07 0.00 0.00 68.15 70.56 3ixw h THR 348 CO 0.54 0.45 -0.78 0.28 -0.01 0.00 0.00 175.52 176.01 3ixw h SER 349 N 0.00 0.15 0.10 0.00 0.02 -1.89 -3.36 113.55 108.57 3ixw h SER 349 Ca -0.09 -0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 60.49 3ixw h SER 349 Cb 1.54 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 3ixw h SER 349 CO 0.06 0.87 -1.31 0.71 -1.14 0.00 0.00 176.83 176.02 3ixw h THR 350 N 0.07 1.08 0.00 -2.27 1.35 -1.77 -3.43 112.91 107.94 3ixw h THR 350 Ca -0.02 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 3ixw h THR 350 Cb 1.36 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.51 3ixw h THR 350 CO 0.11 0.67 0.00 -1.54 -0.25 0.00 0.00 175.52 174.51 3ixw n SER 351 N -4.00 0.00 -0.10 5.36 3.41 -0.18 -2.92 113.62 115.18 3ixw n SER 351 Ca -0.24 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3ixw n SER 351 Cb 0.86 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 65.11 3ixw n SER 351 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ixw n LEU 352 N -2.13 0.73 -0.05 1.04 4.32 -1.26 -3.81 117.00 115.84 3ixw n LEU 352 Ca 0.00 -0.12 -0.13 0.00 -0.02 0.00 0.00 56.01 55.74 3ixw n LEU 352 Cb 0.00 -0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 41.53 3ixw n LEU 352 CO 0.00 0.16 0.58 0.08 -1.22 0.00 0.00 177.39 176.98 3ixw h ARG 353 N 0.50 0.35 -6.26 3.23 0.11 -1.62 -3.43 114.38 107.27 3ixw h ARG 353 Ca 0.00 -0.20 -0.56 0.00 0.10 0.00 0.00 59.98 59.32 3ixw h ARG 353 Cb 0.50 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 3ixw h ARG 353 CO 0.00 0.77 1.12 0.34 0.10 0.00 0.00 179.97 182.29 3ixw s ASP 354 N -6.16 6.48 0.47 0.08 2.15 -1.25 -4.89 116.67 113.54 3ixw s ASP 354 Ca -0.14 1.87 0.19 0.00 0.43 0.00 0.00 52.55 54.90 3ixw s ASP 354 Cb 0.05 -2.53 1.18 0.00 -0.30 0.00 0.00 42.92 41.32 3ixw s ASP 354 CO 0.76 -1.14 1.94 -0.65 -0.17 0.00 0.00 175.17 175.91 3ixw h PRO 355 N 10.34 0.25 0.00 4.34 0.11 -1.90 -1.12 132.00 144.02 3ixw h PRO 355 Ca -0.36 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3ixw h PRO 355 Cb 1.16 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ixw h PRO 355 CO 0.98 0.17 -0.06 -0.84 -0.21 0.00 0.00 178.00 178.04 3ixw h ILE 356 N 0.26 0.44 -0.87 4.15 -0.00 -1.91 -3.08 117.51 116.50 3ixw h ILE 356 Ca 0.33 -0.27 0.22 0.00 -0.00 0.00 0.00 64.86 65.14 3ixw h ILE 356 Cb 0.93 1.19 -0.15 0.00 -0.00 0.00 0.00 36.82 38.78 3ixw h ILE 356 CO -0.08 0.05 0.06 0.15 -0.00 0.00 0.00 178.15 178.33 3ixw h PHE 357 N 0.00 0.02 0.00 0.16 3.57 -1.48 0.97 116.94 120.18 3ixw h PHE 357 Ca -0.00 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3ixw h PHE 357 Cb 0.18 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3ixw h PHE 357 CO 0.00 -0.30 -0.66 1.88 -2.23 0.00 0.00 178.31 177.00 3ixw h TYR 358 N 0.09 0.00 -0.34 0.41 0.05 -1.76 -2.75 116.97 112.66 3ixw h TYR 358 Ca 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 3ixw h TYR 358 Cb 0.98 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 3ixw h TYR 358 CO -0.42 0.66 0.19 -0.09 -1.05 0.00 0.00 178.16 177.44 3ixw h ARG 359 N 0.00 0.48 0.00 4.88 2.43 -0.94 0.49 114.38 121.72 3ixw h ARG 359 Ca -0.01 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3ixw h ARG 359 Cb 1.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3ixw h ARG 359 CO 0.09 0.40 -0.28 2.35 -1.51 0.00 0.00 179.97 181.02 3ixw h TRP 360 N 0.43 0.00 0.00 2.20 2.91 -1.46 0.35 115.95 120.39 3ixw h TRP 360 Ca 0.12 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 3ixw h TRP 360 Cb 0.05 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3ixw h TRP 360 CO -0.03 0.28 -0.80 0.45 -1.03 0.00 0.00 178.44 177.31 3ixw h HIS 361 N 0.00 0.00 -0.01 2.65 3.86 -0.78 -1.36 115.15 119.51 3ixw h HIS 361 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 3ixw h HIS 361 Cb 0.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 3ixw h HIS 361 CO 0.00 0.05 -0.79 0.00 0.86 0.00 0.00 177.93 178.05 3ixw h ARG 362 N 0.00 0.12 0.76 2.45 2.47 -1.02 -2.62 114.38 116.54 3ixw h ARG 362 Ca -0.01 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3ixw h ARG 362 Cb 1.05 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.41 3ixw h ARG 362 CO 0.00 0.85 -0.37 0.35 0.56 0.00 0.00 179.97 181.37 3ixw h PHE 363 N 0.07 -0.95 -0.99 3.04 3.57 -1.19 0.67 116.94 121.16 3ixw h PHE 363 Ca -0.02 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.51 3ixw h PHE 363 Cb 1.39 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 40.38 3ixw h PHE 363 CO 0.02 -0.57 0.64 -0.84 -2.23 0.00 0.00 178.31 175.33 3ixw h ILE 364 N -1.11 1.12 -0.94 1.41 3.07 -1.41 0.74 117.51 120.39 3ixw h ILE 364 Ca -0.10 -0.41 0.09 0.00 1.55 0.00 0.00 64.86 65.98 3ixw h ILE 364 Cb 0.80 -0.18 -0.07 0.00 -0.27 0.00 0.00 36.82 37.10 3ixw h ILE 364 CO 0.17 0.22 0.60 -0.78 -1.05 0.00 0.00 178.15 177.31 3ixw h ASP 365 N 1.20 0.90 -0.49 2.16 3.58 -1.10 -1.63 116.42 121.03 3ixw h ASP 365 Ca 0.42 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.85 3ixw h ASP 365 Cb 0.11 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3ixw h ASP 365 CO -0.16 0.54 0.19 0.78 -2.88 0.00 0.00 179.24 177.72 3ixw h ASN 366 N 1.00 0.72 0.11 2.28 2.35 0.28 0.43 115.58 122.74 3ixw h ASN 366 Ca 0.43 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3ixw h ASN 366 Cb 0.32 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3ixw h ASN 366 CO -0.18 0.66 -0.05 0.40 -1.65 0.00 0.00 177.43 176.61 3ixw h ILE 367 N 0.77 1.03 -0.83 2.81 2.04 -0.84 -0.92 117.51 121.57 3ixw h ILE 367 Ca 0.18 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.53 3ixw h ILE 367 Cb 0.19 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3ixw h ILE 367 CO -0.01 0.13 0.55 -0.26 0.00 0.00 0.00 178.15 178.56 3ixw h PHE 368 N -0.40 0.98 -0.72 1.37 0.04 -0.50 0.08 116.94 117.79 3ixw h PHE 368 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ixw h PHE 368 Cb 0.33 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3ixw h PHE 368 CO 0.01 0.55 0.35 1.96 -0.60 0.00 0.00 178.31 180.58 3ixw h GLN 369 N 1.00 1.03 -0.92 1.51 1.08 -0.09 -0.76 115.11 117.96 3ixw h GLN 369 Ca 0.34 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3ixw h GLN 369 Cb 0.10 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 3ixw h GLN 369 CO -0.11 0.79 0.55 0.93 -0.95 0.00 0.00 178.83 180.04 3ixw h GLU 370 N 1.02 1.25 -0.21 1.46 5.08 0.46 0.32 114.58 123.97 3ixw h GLU 370 Ca 0.25 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3ixw h GLU 370 Cb 0.10 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3ixw h GLU 370 CO -0.03 0.88 -0.21 1.25 -1.00 0.00 0.00 179.01 179.89 3ixw h HIS 371 N 1.27 0.61 -0.85 4.33 2.76 -0.87 0.39 115.15 122.79 3ixw h HIS 371 Ca 0.33 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3ixw h HIS 371 Cb -0.05 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 3ixw h HIS 371 CO 0.01 0.86 0.53 0.87 -1.30 0.00 0.00 177.93 178.90 3ixw h LYS 372 N 0.19 1.15 -0.59 5.26 1.79 -1.17 -3.09 116.57 120.09 3ixw h LYS 372 Ca 0.03 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3ixw h LYS 372 Cb 0.76 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3ixw h LYS 372 CO 0.05 0.79 0.24 0.87 -1.08 0.00 0.00 179.45 180.32 3ixw h LYS 373 N 1.17 0.86 0.00 3.15 1.57 0.51 -2.27 116.57 121.56 3ixw h LYS 373 Ca 0.31 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3ixw h LYS 373 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3ixw h LYS 373 CO -0.06 0.71 -0.24 0.66 -0.57 0.00 0.00 179.45 179.95 3ixw h SER 374 N 0.85 0.00 -4.16 0.86 4.64 -0.93 -3.43 113.55 111.38 3ixw h SER 374 Ca 0.20 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.01 3ixw h SER 374 Cb 0.17 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.35 3ixw h SER 374 CO -0.02 0.24 0.40 -0.36 -0.87 0.00 0.00 176.83 176.22 3ixw s PHE 375 N -3.60 2.60 0.26 4.77 0.08 -0.85 -5.02 117.98 116.21 3ixw s PHE 375 Ca 0.01 1.55 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 3ixw s PHE 375 Cb 0.10 -3.23 -0.08 0.00 -0.57 0.00 0.00 43.02 39.23 3ixw s PHE 375 CO 0.65 -1.72 0.65 -1.01 -0.10 0.00 0.00 175.22 173.69 3ixw s HIS 376 N -2.11 3.45 1.06 0.36 3.76 -1.26 -4.71 115.29 115.85 3ixw s HIS 376 Ca 0.70 1.12 -0.20 0.00 -0.15 0.00 0.00 55.06 56.52 3ixw s HIS 376 Cb -0.22 -2.44 -0.00 0.00 1.11 0.00 0.00 32.58 31.02 3ixw s HIS 376 CO 0.37 0.22 -0.42 -2.30 -0.85 0.00 0.00 174.74 171.76 3ixw n PRO 377 N -0.00 -0.92 -3.21 8.40 -0.02 -1.26 -4.80 135.00 133.18 3ixw n PRO 377 Ca 0.01 -0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 60.84 3ixw n PRO 377 Cb 0.52 -1.48 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 3ixw n PRO 377 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ixw s TYR 378 N -2.18 3.47 0.60 6.00 2.02 -1.26 -5.02 117.35 120.98 3ixw s TYR 378 Ca 0.50 0.94 -0.20 0.00 -0.37 0.00 0.00 57.07 57.93 3ixw s TYR 378 Cb -0.07 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 3ixw s TYR 378 CO 0.67 0.03 1.33 0.99 -1.57 0.00 0.00 175.55 177.00 3ixw s THR 379 N 1.13 2.04 0.32 -0.71 2.01 -1.26 -4.84 115.64 114.33 3ixw s THR 379 Ca 0.28 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.33 3ixw s THR 379 Cb -0.16 -3.01 0.28 0.00 0.01 0.00 0.00 72.50 69.62 3ixw s THR 379 CO 0.12 -0.00 1.94 0.11 -0.69 0.00 0.00 174.62 176.10 3ixw h LYS 380 N 1.00 0.91 -0.14 4.92 1.57 -1.97 -0.11 116.57 122.75 3ixw h LYS 380 Ca -0.51 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.24 3ixw h LYS 380 Cb 1.32 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 3ixw h LYS 380 CO 0.55 0.60 -0.43 1.49 -0.57 0.00 0.00 179.45 181.09 3ixw h GLU 381 N 0.94 -0.42 -0.97 3.15 4.57 -1.93 -1.37 114.58 118.54 3ixw h GLU 381 Ca 0.34 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.65 3ixw h GLU 381 Cb 0.14 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.75 3ixw h GLU 381 CO -0.11 -0.28 0.61 1.49 -1.18 0.00 0.00 179.01 179.53 3ixw h GLU 382 N -0.44 0.98 0.00 1.92 4.57 -1.80 -0.76 114.58 119.06 3ixw h GLU 382 Ca 0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3ixw h GLU 382 Cb 0.53 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3ixw h GLU 382 CO -0.37 0.65 0.00 1.28 -1.18 0.00 0.00 179.01 179.39 3ixw n LEU 383 N -4.61 0.44 -4.43 1.64 4.77 -0.10 -4.76 117.00 109.94 3ixw n LEU 383 Ca 0.17 0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 56.32 3ixw n LEU 383 Cb 0.29 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 3ixw n LEU 383 CO 0.29 -0.35 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.43 3ixw s SER 384 N -3.82 5.90 -0.49 -1.43 0.01 -0.29 -4.90 113.70 108.69 3ixw s SER 384 Ca 0.07 -0.87 -0.28 0.00 1.31 0.00 0.00 55.95 56.18 3ixw s SER 384 Cb 0.11 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.26 3ixw s SER 384 CO 0.41 -0.38 1.48 0.12 0.41 0.00 0.00 173.24 175.28 3ixw s PHE 385 N 1.63 2.23 0.20 2.43 5.36 -1.26 -4.98 117.98 123.59 3ixw s PHE 385 Ca 0.04 0.58 -0.31 0.00 -0.96 0.00 0.00 56.93 56.28 3ixw s PHE 385 Cb -0.19 -4.32 -0.10 0.00 -0.34 0.00 0.00 43.02 38.07 3ixw s PHE 385 CO 0.08 -2.09 1.54 -2.14 -1.46 0.00 0.00 175.22 171.16 3ixw s PRO 386 N 5.45 4.21 0.00 10.12 0.02 -1.26 -3.79 135.00 149.75 3ixw s PRO 386 Ca 0.59 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3ixw s PRO 386 Cb -0.13 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3ixw s PRO 386 CO 0.28 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3ixw n GLY 387 N 3.19 2.58 3.67 0.52 0.00 -1.26 -4.98 105.19 108.91 3ixw n GLY 387 Ca 0.11 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3ixw n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixw s VAL 388 N -1.31 4.82 -0.27 1.61 1.01 -1.25 -2.92 120.40 122.10 3ixw s VAL 388 Ca 0.00 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.74 3ixw s VAL 388 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3ixw s VAL 388 CO 0.00 -0.01 0.02 -0.70 0.00 0.00 0.00 175.10 174.41 3ixw s GLU 389 N 2.26 3.02 -0.78 2.72 2.12 -0.12 -4.22 118.70 123.70 3ixw s GLU 389 Ca 0.42 -0.89 -0.25 0.00 0.36 0.00 0.00 54.97 54.61 3ixw s GLU 389 Cb -0.17 -3.21 -0.08 0.00 0.26 0.00 0.00 34.13 30.93 3ixw s GLU 389 CO 0.13 -0.41 2.18 0.08 -0.54 0.00 0.00 175.26 176.70 3ixw s VAL 390 N 1.43 3.21 -1.00 3.70 1.01 0.86 0.42 120.40 130.03 3ixw s VAL 390 Ca 0.02 -0.12 0.18 0.00 0.00 0.00 0.00 61.98 62.06 3ixw s VAL 390 Cb -0.17 -3.48 0.15 0.00 0.00 0.00 0.00 36.38 32.88 3ixw s VAL 390 CO -0.00 -0.46 1.58 0.52 0.00 0.00 0.00 175.10 176.73 3ixw n VAL 391 N 8.20 0.76 0.00 2.92 0.31 0.23 -4.93 118.33 125.81 3ixw n VAL 391 Ca 0.40 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 3ixw n VAL 391 Cb 0.47 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3ixw n VAL 391 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ixw n GLY 392 N 0.36 1.57 3.27 2.92 0.00 -1.03 -4.87 105.19 107.41 3ixw n GLY 392 Ca 0.04 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 3ixw n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixw s VAL 393 N -1.71 0.35 -0.08 1.61 1.01 -1.26 -0.18 120.40 120.15 3ixw s VAL 393 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 3ixw s VAL 393 Cb 0.00 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.91 3ixw s VAL 393 CO 0.00 -0.02 0.84 -0.44 0.00 0.00 0.00 175.10 175.48 3ixw s SER 394 N -3.25 -0.49 -0.13 3.32 0.01 -0.91 -4.94 113.70 107.31 3ixw s SER 394 Ca 0.38 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 58.08 3ixw s SER 394 Cb 0.07 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 3ixw s SER 394 CO 0.13 -0.52 -0.10 0.27 0.41 0.00 0.00 173.24 173.43 3ixw s ILE 395 N -1.55 3.35 -0.39 1.44 -4.36 -1.26 -2.23 121.20 116.20 3ixw s ILE 395 Ca -0.04 -0.56 -0.05 0.00 -0.26 0.00 0.00 60.65 59.73 3ixw s ILE 395 Cb -0.00 -2.42 0.08 0.00 1.25 0.00 0.00 42.46 41.37 3ixw s ILE 395 CO 0.03 0.52 0.18 0.20 0.24 0.00 0.00 174.94 176.11 3ixw s ASN 396 N 0.21 5.33 0.00 4.36 -0.87 -1.19 -0.25 114.94 122.53 3ixw s ASN 396 Ca -0.06 -1.65 0.00 0.00 -1.57 0.00 0.00 52.86 49.58 3ixw s ASN 396 Cb -0.15 -1.87 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 3ixw s ASN 396 CO 0.04 -0.48 0.00 -1.20 -2.57 0.00 0.00 177.10 172.89 3ixw n SER 397 N 4.73 0.00 0.14 -1.22 7.64 -1.26 -3.29 113.62 120.36 3ixw n SER 397 Ca -0.08 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.81 3ixw n SER 397 Cb 0.42 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.94 3ixw n SER 397 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3ixw h LYS 398 N 0.00 0.12 -5.01 1.43 1.63 -1.86 -3.47 116.57 109.41 3ixw h LYS 398 Ca 0.00 -0.05 -0.52 0.00 -0.85 0.00 0.00 60.65 59.23 3ixw h LYS 398 Cb 0.00 -0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 31.49 3ixw h LYS 398 CO 0.00 0.45 -0.53 0.99 -3.45 0.00 0.00 179.45 176.92 3ixw s THR 399 N -4.27 0.55 0.45 1.00 2.01 -1.26 -5.15 115.64 108.96 3ixw s THR 399 Ca -0.04 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 59.74 3ixw s THR 399 Cb 0.14 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.14 3ixw s THR 399 CO 0.74 0.00 1.05 0.00 -0.69 0.00 0.00 174.62 175.73 3ixw s ALA 400 N -3.31 2.96 -0.67 7.40 0.00 -1.26 -4.39 121.76 122.49 3ixw s ALA 400 Ca 0.28 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3ixw s ALA 400 Cb 0.03 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ixw s ALA 400 CO 0.16 -0.31 0.00 0.09 0.00 0.00 0.00 175.76 175.71 3ixw n ASN 401 N -0.57 -2.47 -4.30 0.00 3.02 0.65 -4.92 115.26 106.68 3ixw n ASN 401 Ca 0.07 0.27 -0.26 0.00 -0.03 0.00 0.00 54.58 54.64 3ixw n ASN 401 Cb 0.51 -2.26 -0.13 0.00 -0.61 0.00 0.00 39.78 37.28 3ixw n ASN 401 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ixw s VAL 402 N -2.13 1.85 0.14 2.41 -7.23 -1.26 -0.86 120.40 113.33 3ixw s VAL 402 Ca 0.00 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 58.78 3ixw s VAL 402 Cb 0.00 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3ixw s VAL 402 CO 0.00 0.07 -0.22 -0.51 -0.31 0.00 0.00 175.10 174.13 3ixw s ILE 403 N -1.02 2.56 -0.14 -0.62 2.07 0.93 -4.26 121.20 120.71 3ixw s ILE 403 Ca 0.09 -1.71 0.01 0.00 -1.41 0.00 0.00 60.65 57.62 3ixw s ILE 403 Cb -0.10 -2.18 0.02 0.00 0.13 0.00 0.00 42.46 40.34 3ixw s ILE 403 CO 0.04 0.04 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.07 3ixw s THR 404 N -1.25 1.56 0.31 4.00 2.01 -1.26 -1.26 115.64 119.75 3ixw s THR 404 Ca 0.17 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3ixw s THR 404 Cb -0.10 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3ixw s THR 404 CO 0.09 0.46 0.54 0.28 -0.69 0.00 0.00 174.62 175.29 3ixw s THR 405 N 1.39 5.08 0.32 -0.82 -1.32 -0.02 0.24 115.64 120.51 3ixw s THR 405 Ca 0.03 -0.23 0.04 0.00 -1.21 0.00 0.00 61.69 60.31 3ixw s THR 405 Cb -0.13 -3.80 -0.04 0.00 -1.51 0.00 0.00 72.50 67.03 3ixw s THR 405 CO -0.09 -0.43 0.17 -0.76 -2.21 0.00 0.00 174.62 171.30 3ixw s LEU 406 N -3.91 1.72 -0.13 9.08 1.02 -1.07 -0.78 118.68 124.61 3ixw s LEU 406 Ca 0.41 -1.59 -0.06 0.00 0.02 0.00 0.00 54.13 52.91 3ixw s LEU 406 Cb -0.10 0.21 -0.04 0.00 0.02 0.00 0.00 46.19 46.28 3ixw s LEU 406 CO 0.33 -0.91 0.08 -0.51 0.02 0.00 0.00 176.35 175.36 3ixw s ILE 407 N -3.55 4.98 -0.14 -0.59 -1.16 -1.26 -0.29 121.20 119.19 3ixw s ILE 407 Ca 0.35 0.02 -0.01 0.00 -0.51 0.00 0.00 60.65 60.50 3ixw s ILE 407 Cb 0.04 -3.17 0.04 0.00 0.61 0.00 0.00 42.46 39.98 3ixw s ILE 407 CO 0.18 0.57 -0.05 -0.75 -2.81 0.00 0.00 174.94 172.09 3ixw s LYS 408 N -0.60 1.31 0.51 3.50 2.20 0.66 -4.93 119.74 122.40 3ixw s LYS 408 Ca 0.11 -0.36 -0.21 0.00 -0.36 0.00 0.00 55.97 55.15 3ixw s LYS 408 Cb -0.12 -1.76 -0.06 0.00 -1.51 0.00 0.00 37.83 34.38 3ixw s LYS 408 CO 0.02 -0.38 1.21 -1.83 -0.36 0.00 0.00 175.35 174.01 3ixw s GLU 409 N 1.71 3.43 0.39 4.03 -1.05 -1.26 -0.67 118.70 125.29 3ixw s GLU 409 Ca 0.02 1.85 -0.13 0.00 -0.15 0.00 0.00 54.97 56.56 3ixw s GLU 409 Cb -0.14 -2.23 0.05 0.00 -0.44 0.00 0.00 34.13 31.37 3ixw s GLU 409 CO -0.08 -0.84 0.76 0.45 0.95 0.00 0.00 175.26 176.50 3ixw n SER 410 N -0.92 -2.20 -4.33 0.83 2.88 0.62 -4.93 113.62 105.58 3ixw n SER 410 Ca 0.10 -2.64 -0.17 0.00 -1.33 0.00 0.00 58.87 54.83 3ixw n SER 410 Cb 0.48 3.69 -0.10 0.00 -0.75 0.00 0.00 64.21 67.53 3ixw n SER 410 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ixw s LEU 411 N 0.00 2.36 -0.21 2.46 1.43 -1.26 -0.34 118.68 123.11 3ixw s LEU 411 Ca 0.18 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.03 3ixw s LEU 411 Cb -0.04 -0.39 0.08 0.00 0.03 0.00 0.00 46.19 45.86 3ixw s LEU 411 CO 0.13 -0.41 0.50 -0.22 0.23 0.00 0.00 176.35 176.59 3ixw s LEU 412 N -3.29 -0.51 -0.69 1.79 2.96 -1.13 -4.93 118.68 112.89 3ixw s LEU 412 Ca 0.25 1.12 -0.21 0.00 -0.22 0.00 0.00 54.13 55.07 3ixw s LEU 412 Cb 0.04 1.68 0.09 0.00 0.50 0.00 0.00 46.19 48.50 3ixw s LEU 412 CO 0.07 -0.21 0.93 -0.70 -1.32 0.00 0.00 176.35 175.11 3ixw s GLU 413 N 1.84 3.17 0.27 1.98 2.12 -1.26 -2.16 118.70 124.66 3ixw s GLU 413 Ca -0.08 -1.10 -0.03 0.00 0.36 0.00 0.00 54.97 54.12 3ixw s GLU 413 Cb -0.09 -4.35 0.35 0.00 0.26 0.00 0.00 34.13 30.30 3ixw s GLU 413 CO -0.15 -1.74 1.82 -0.07 -0.54 0.00 0.00 175.26 174.58 3ixw h LEU 414 N 10.86 0.86 -0.47 2.70 3.38 -0.78 -3.19 115.31 128.68 3ixw h LEU 414 Ca -0.22 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 57.77 3ixw h LEU 414 Cb 1.07 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 3ixw h LEU 414 CO 1.15 0.81 0.12 -1.20 0.09 0.00 0.00 178.44 179.41 3ixw n SER 415 N -4.28 0.04 -0.05 -0.43 7.64 -1.25 -0.15 113.62 115.14 3ixw n SER 415 Ca 0.05 0.79 -0.12 0.00 1.01 0.00 0.00 58.87 60.61 3ixw n SER 415 Cb 0.21 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 3ixw n SER 415 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3ixw h HIS 416 N 0.00 0.29 0.12 1.43 3.86 -1.75 -3.35 115.15 115.75 3ixw h HIS 416 Ca 0.34 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3ixw h HIS 416 Cb 0.80 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3ixw h HIS 416 CO -0.13 0.48 -0.06 0.78 0.86 0.00 0.00 177.93 179.86 3ixw h GLY 417 N 0.01 -0.17 -2.01 2.45 0.00 0.20 -3.31 103.07 100.25 3ixw h GLY 417 Ca 0.04 0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.94 3ixw h GLY 417 CO 0.01 -0.06 -0.33 -0.26 0.00 0.00 0.00 176.54 175.89 3ixw s ILE 418 N -2.96 2.50 -0.61 2.60 -0.00 0.07 -4.74 121.20 118.06 3ixw s ILE 418 Ca -0.12 -1.30 -0.27 0.00 -0.00 0.00 0.00 60.65 58.97 3ixw s ILE 418 Cb -0.00 -2.80 0.04 0.00 -0.00 0.00 0.00 42.46 39.69 3ixw s ILE 418 CO 0.43 0.00 1.13 0.21 -0.00 0.00 0.00 174.94 176.71 3ixw s ASN 419 N -4.22 6.35 0.29 4.36 2.47 -1.26 -4.36 114.94 118.57 3ixw s ASN 419 Ca 0.48 -0.18 -0.03 0.00 0.42 0.00 0.00 52.86 53.55 3ixw s ASN 419 Cb -0.04 -2.51 0.41 0.00 -1.45 0.00 0.00 41.25 37.65 3ixw s ASN 419 CO 0.28 -1.48 1.95 2.19 -3.72 0.00 0.00 177.10 176.33 3ixw h PHE 420 N 9.57 1.10 0.00 0.43 -5.15 -1.92 -3.46 116.94 117.51 3ixw h PHE 420 Ca -0.26 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 3ixw h PHE 420 Cb 1.06 -0.37 0.00 0.00 0.22 0.00 0.00 35.95 36.86 3ixw h PHE 420 CO 1.02 0.68 0.00 0.41 -2.00 0.00 0.00 178.31 178.42 3ixw n GLY 421 N -1.40 1.18 0.39 6.09 0.00 -1.26 -4.08 105.19 106.11 3ixw n GLY 421 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ixw n GLY 421 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixw n THR 422 N 0.00 0.00 -0.58 2.61 -2.24 -1.26 -5.13 114.28 107.68 3ixw n THR 422 Ca 0.00 0.29 -0.29 0.00 -2.27 0.00 0.00 64.05 61.78 3ixw n THR 422 Cb 0.00 -1.29 0.26 0.00 -2.10 0.00 0.00 70.33 67.20 3ixw n THR 422 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ixw s ASP 423 N -4.28 0.46 0.02 3.42 1.47 -1.21 -4.75 116.67 111.80 3ixw s ASP 423 Ca 0.00 1.23 -0.26 0.00 1.18 0.00 0.00 52.55 54.70 3ixw s ASP 423 Cb 0.00 -1.87 -0.17 0.00 -0.34 0.00 0.00 42.92 40.54 3ixw s ASP 423 CO 0.00 -4.48 1.36 1.56 0.68 0.00 0.00 175.17 174.29 3ixw h GLN 424 N -2.82 -0.30 -2.24 2.11 4.20 -1.51 -3.48 115.11 111.08 3ixw h GLN 424 Ca -0.56 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.12 3ixw h GLN 424 Cb 1.34 0.07 -0.22 0.00 0.30 0.00 0.00 27.48 28.96 3ixw h GLN 424 CO 0.45 -0.00 -0.02 0.45 -0.67 0.00 0.00 178.83 179.03 3ixw s SER 425 N -5.15 -0.69 -0.19 1.46 0.15 -1.26 -4.93 113.70 103.09 3ixw s SER 425 Ca -0.15 1.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.76 3ixw s SER 425 Cb 0.03 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 3ixw s SER 425 CO 0.60 -0.22 -0.15 0.68 1.20 0.00 0.00 173.24 175.35 3ixw s VAL 426 N 0.70 2.48 -0.05 4.45 -7.23 -1.26 -0.80 120.40 118.69 3ixw s VAL 426 Ca -0.03 -0.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3ixw s VAL 426 Cb -0.05 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3ixw s VAL 426 CO -0.05 0.50 -0.25 -0.54 -0.31 0.00 0.00 175.10 174.46 3ixw s LYS 427 N 1.32 2.50 -0.43 4.82 -0.14 0.17 -0.01 119.74 127.97 3ixw s LYS 427 Ca 0.05 -0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 3ixw s LYS 427 Cb -0.14 -2.16 0.06 0.00 -1.68 0.00 0.00 37.83 33.91 3ixw s LYS 427 CO -0.09 0.41 0.32 0.54 -0.76 0.00 0.00 175.35 175.76 3ixw s VAL 428 N -0.23 4.91 -0.36 3.17 0.11 -0.92 -0.41 120.40 126.67 3ixw s VAL 428 Ca -0.01 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 57.73 3ixw s VAL 428 Cb -0.13 -3.88 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 3ixw s VAL 428 CO 0.03 -0.45 1.62 -0.75 -3.33 0.00 0.00 175.10 172.22 3ixw s LYS 429 N 1.59 3.45 0.50 1.54 2.20 0.11 -2.83 119.74 126.30 3ixw s LYS 429 Ca 0.04 1.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.92 3ixw s LYS 429 Cb -0.22 -4.12 0.02 0.00 -1.51 0.00 0.00 37.83 32.00 3ixw s LYS 429 CO 0.06 -1.72 0.39 1.52 -0.36 0.00 0.00 175.35 175.25 3ixw s TYR 430 N 6.21 1.96 -0.08 4.03 1.13 0.54 -0.25 117.35 130.88 3ixw s TYR 430 Ca 0.72 -0.73 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 3ixw s TYR 430 Cb -0.19 -1.99 0.02 0.00 -1.10 0.00 0.00 41.96 38.70 3ixw s TYR 430 CO 0.33 -0.36 -0.10 -1.01 -2.51 0.00 0.00 175.55 171.90 3ixw s HIS 431 N -2.68 1.47 0.15 -3.49 3.76 -1.26 -0.27 115.29 112.96 3ixw s HIS 431 Ca 0.39 -0.62 0.06 0.00 -0.15 0.00 0.00 55.06 54.74 3ixw s HIS 431 Cb -0.02 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 3ixw s HIS 431 CO 0.24 -0.37 -0.13 -3.38 -0.85 0.00 0.00 174.74 170.24 3ixw s HIS 432 N 1.08 1.48 0.54 1.40 -3.43 0.16 -4.93 115.29 111.59 3ixw s HIS 432 Ca -0.07 -0.60 -0.18 0.00 -0.80 0.00 0.00 55.06 53.41 3ixw s HIS 432 Cb -0.14 -0.74 -0.06 0.00 -1.43 0.00 0.00 32.58 30.21 3ixw s HIS 432 CO -0.01 0.20 1.07 -1.17 -2.00 0.00 0.00 174.74 172.83 3ixw s LEU 433 N -2.86 3.69 0.00 5.38 2.96 -1.26 -0.24 118.68 126.35 3ixw s LEU 433 Ca 0.15 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 3ixw s LEU 433 Cb -0.02 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.11 3ixw s LEU 433 CO 0.04 -1.06 0.00 -0.67 -1.32 0.00 0.00 176.35 173.34 3ixw n ASP 434 N -1.45 0.00 -3.48 3.68 -0.08 0.60 -4.60 116.55 111.21 3ixw n ASP 434 Ca 0.10 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.22 3ixw n ASP 434 Cb 0.52 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.94 3ixw n ASP 434 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 3ixw s HIS 435 N -1.55 -0.59 0.56 -0.67 -3.43 -1.26 -2.59 115.29 105.76 3ixw s HIS 435 Ca 0.00 0.76 -0.20 0.00 -0.80 0.00 0.00 55.06 54.82 3ixw s HIS 435 Cb 0.00 0.47 -0.05 0.00 -1.43 0.00 0.00 32.58 31.57 3ixw s HIS 435 CO 0.00 -0.71 1.21 -2.00 -2.00 0.00 0.00 174.74 171.24 3ixw s GLU 436 N -2.33 3.15 0.92 -0.38 2.12 0.14 -4.84 118.70 117.47 3ixw s GLU 436 Ca -0.06 1.84 -0.11 0.00 0.36 0.00 0.00 54.97 57.01 3ixw s GLU 436 Cb -0.00 -2.04 0.14 0.00 0.26 0.00 0.00 34.13 32.49 3ixw s GLU 436 CO -0.00 -1.07 1.12 -2.14 -0.54 0.00 0.00 175.26 172.62 3ixw s PRO 437 N -3.19 1.04 0.15 4.30 0.02 -1.26 -4.78 135.00 131.28 3ixw s PRO 437 Ca 0.74 1.32 -0.25 0.00 0.02 0.00 0.00 61.00 62.83 3ixw s PRO 437 Cb -0.30 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.53 3ixw s PRO 437 CO 0.34 -2.54 0.92 -0.59 -0.33 0.00 0.00 177.00 174.80 3ixw s PHE 438 N -2.70 -0.17 0.17 6.54 -0.71 -1.26 -4.57 117.98 115.28 3ixw s PHE 438 Ca 0.66 -0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.47 3ixw s PHE 438 Cb -0.21 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3ixw s PHE 438 CO 0.58 -0.85 -0.13 -0.08 -1.34 0.00 0.00 175.22 173.40 3ixw s THR 439 N -3.35 1.49 -0.10 -4.49 -1.32 -1.21 -0.46 115.64 106.20 3ixw s THR 439 Ca 0.11 -2.06 -0.15 0.00 -1.21 0.00 0.00 61.69 58.38 3ixw s THR 439 Cb -0.02 -1.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 3ixw s THR 439 CO 0.01 -0.60 0.37 -0.31 -2.21 0.00 0.00 174.62 171.88 3ixw s TYR 440 N -2.89 3.56 -0.23 9.09 2.02 -0.12 -3.19 117.35 125.59 3ixw s TYR 440 Ca 0.18 0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 57.64 3ixw s TYR 440 Cb -0.01 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3ixw s TYR 440 CO 0.04 0.36 -0.07 1.21 -1.57 0.00 0.00 175.55 175.53 3ixw s ASN 441 N -0.02 4.17 -0.12 2.29 3.84 -0.95 -1.77 114.94 122.37 3ixw s ASN 441 Ca 0.21 -0.60 0.01 0.00 0.21 0.00 0.00 52.86 52.70 3ixw s ASN 441 Cb -0.15 -1.68 0.02 0.00 -0.55 0.00 0.00 41.25 38.89 3ixw s ASN 441 CO 0.08 -0.06 -0.15 -0.51 -2.79 0.00 0.00 177.10 173.67 3ixw s ILE 442 N 1.40 1.56 -0.07 -5.21 1.10 -0.38 -2.13 121.20 117.48 3ixw s ILE 442 Ca 0.04 -0.66 -0.03 0.00 -0.51 0.00 0.00 60.65 59.49 3ixw s ILE 442 Cb -0.15 -1.44 -0.04 0.00 0.15 0.00 0.00 42.46 40.99 3ixw s ILE 442 CO -0.05 0.45 0.08 -0.69 -2.11 0.00 0.00 174.94 172.63 3ixw s VAL 443 N 1.15 4.88 0.00 4.00 1.01 0.75 -0.79 120.40 131.41 3ixw s VAL 443 Ca -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ixw s VAL 443 Cb -0.14 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3ixw s VAL 443 CO -0.05 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 3ixw s VAL 444 N -1.05 0.16 -0.53 2.92 1.01 0.12 0.75 120.40 123.78 3ixw s VAL 444 Ca 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3ixw s VAL 444 Cb -0.12 -0.16 0.14 0.00 0.00 0.00 0.00 36.38 36.24 3ixw s VAL 444 CO 0.07 -0.02 0.40 -0.70 0.00 0.00 0.00 175.10 174.85 3ixw s GLU 445 N -0.21 2.59 -1.18 2.72 2.56 0.17 -0.18 118.70 125.17 3ixw s GLU 445 Ca -0.01 -1.95 -0.19 0.00 0.00 0.00 0.00 54.97 52.82 3ixw s GLU 445 Cb -0.02 -3.94 0.08 0.00 2.00 0.00 0.00 34.13 32.26 3ixw s GLU 445 CO -0.00 -1.20 1.56 1.21 -0.56 0.00 0.00 175.26 176.27 3ixw s ASN 446 N 2.31 6.76 0.43 -1.70 2.47 -0.17 -0.94 114.94 124.09 3ixw s ASN 446 Ca 0.09 -2.21 0.16 0.00 0.42 0.00 0.00 52.86 51.32 3ixw s ASN 446 Cb -0.24 -2.54 1.05 0.00 -1.45 0.00 0.00 41.25 38.08 3ixw s ASN 446 CO -0.02 -1.20 1.92 0.78 -3.72 0.00 0.00 177.10 174.86 3ixw h ASN 447 N 8.26 0.39 -3.20 -4.21 2.35 -1.83 -1.23 115.58 116.11 3ixw h ASN 447 Ca 0.33 0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.58 3ixw h ASN 447 Cb 0.92 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 39.27 3ixw h ASN 447 CO 1.39 0.20 0.71 -0.94 -1.65 0.00 0.00 177.43 177.14 3ixw s SER 448 N -5.94 6.81 0.67 5.81 1.04 -1.26 -4.90 113.70 115.92 3ixw s SER 448 Ca -0.08 2.43 0.36 0.00 0.48 0.00 0.00 55.95 59.15 3ixw s SER 448 Cb 0.21 -2.60 1.99 0.00 0.10 0.00 0.00 66.02 65.72 3ixw s SER 448 CO 0.77 -0.62 2.12 1.23 0.98 0.00 0.00 173.24 177.72 3ixw h GLY 449 N 5.94 0.00 -4.62 7.32 0.00 -2.00 -3.41 103.07 106.30 3ixw h GLY 449 Ca -0.44 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.31 3ixw h GLY 449 CO 0.82 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 177.26 3ixw s ALA 450 N -4.13 3.62 0.05 3.60 0.00 -1.26 -4.71 121.76 118.93 3ixw s ALA 450 Ca -0.04 -0.08 -0.37 0.00 0.00 0.00 0.00 51.96 51.47 3ixw s ALA 450 Cb 0.11 -2.54 -0.17 0.00 0.00 0.00 0.00 23.12 20.52 3ixw s ALA 450 CO 0.34 0.44 1.35 0.39 0.00 0.00 0.00 175.76 178.28 3ixw n GLU 451 N 1.53 1.06 -4.00 0.00 1.02 -1.26 -4.54 120.64 114.45 3ixw n GLU 451 Ca -0.10 0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 57.07 3ixw n GLU 451 Cb 0.51 -2.02 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 3ixw n GLU 451 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3ixw s LYS 452 N 0.71 3.69 -0.25 3.49 2.47 0.17 -4.87 119.74 125.15 3ixw s LYS 452 Ca 0.86 -0.28 -0.12 0.00 -1.56 0.00 0.00 55.97 54.87 3ixw s LYS 452 Cb -0.99 -3.16 -0.05 0.00 -1.46 0.00 0.00 37.83 32.17 3ixw s LYS 452 CO 0.49 0.49 0.25 -1.01 0.16 0.00 0.00 175.35 175.73 3ixw s HIS 453 N -0.23 3.28 0.32 4.03 3.76 -1.26 0.26 115.29 125.46 3ixw s HIS 453 Ca 0.09 0.29 0.09 0.00 -0.15 0.00 0.00 55.06 55.38 3ixw s HIS 453 Cb -0.12 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 3ixw s HIS 453 CO 0.01 -0.07 -0.00 -1.54 -0.85 0.00 0.00 174.74 172.30 3ixw s SER 454 N 1.36 4.25 -0.19 1.40 1.04 0.08 -1.57 113.70 120.07 3ixw s SER 454 Ca 0.11 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.65 3ixw s SER 454 Cb -0.15 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.39 3ixw s SER 454 CO 0.08 -0.16 -0.17 -0.89 0.98 0.00 0.00 173.24 173.08 3ixw s THR 455 N -2.46 2.25 -0.44 2.02 2.01 0.88 -2.71 115.64 117.19 3ixw s THR 455 Ca 0.34 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 3ixw s THR 455 Cb -0.02 -1.99 0.06 0.00 0.01 0.00 0.00 72.50 70.55 3ixw s THR 455 CO 0.19 0.47 0.33 -0.69 -0.69 0.00 0.00 174.62 174.23 3ixw s VAL 456 N 1.30 5.02 -0.33 3.82 1.01 0.56 -0.60 120.40 131.17 3ixw s VAL 456 Ca 0.04 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 3ixw s VAL 456 Cb -0.14 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3ixw s VAL 456 CO -0.11 -0.46 0.33 -0.13 0.00 0.00 0.00 175.10 174.72 3ixw s ARG 457 N 1.61 3.62 -0.05 2.72 0.52 -0.21 -1.84 118.95 125.31 3ixw s ARG 457 Ca 0.04 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 3ixw s ARG 457 Cb -0.22 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 3ixw s ARG 457 CO 0.07 -0.46 -0.12 0.42 0.02 0.00 0.00 175.30 175.22 3ixw s ILE 458 N 1.95 3.23 0.16 1.52 1.01 0.19 -0.41 121.20 128.85 3ixw s ILE 458 Ca 0.11 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.14 3ixw s ILE 458 Cb -0.17 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3ixw s ILE 458 CO 0.11 0.59 -0.12 -0.36 0.00 0.00 0.00 174.94 175.16 3ixw s PHE 459 N -0.76 1.41 -0.08 3.97 0.40 0.21 0.36 117.98 123.49 3ixw s PHE 459 Ca 0.12 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3ixw s PHE 459 Cb -0.11 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.75 3ixw s PHE 459 CO 0.01 0.17 -0.06 -1.17 0.70 0.00 0.00 175.22 174.87 3ixw s LEU 460 N -3.13 1.14 0.41 -0.37 2.96 0.12 -0.33 118.68 119.47 3ixw s LEU 460 Ca 0.17 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3ixw s LEU 460 Cb 0.01 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 3ixw s LEU 460 CO 0.03 -0.10 0.14 0.00 -1.32 0.00 0.00 176.35 175.10 3ixw s ALA 461 N 1.42 2.92 0.01 5.97 0.00 0.41 -0.23 121.76 132.27 3ixw s ALA 461 Ca -0.02 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 3ixw s ALA 461 Cb -0.13 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 3ixw s ALA 461 CO -0.04 -0.36 0.42 -1.25 0.00 0.00 0.00 175.76 174.54 3ixw s PRO 462 N -3.67 3.94 -0.02 0.00 0.04 -1.26 -0.33 135.00 133.69 3ixw s PRO 462 Ca 0.24 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 3ixw s PRO 462 Cb 0.02 -3.22 -0.26 0.00 0.04 0.00 0.00 34.50 31.08 3ixw s PRO 462 CO 0.15 0.69 0.76 -0.22 0.04 0.00 0.00 177.00 178.42 3ixw h LYS 463 N 4.68 0.20 -7.19 4.56 3.64 -1.70 -3.45 116.57 117.32 3ixw h LYS 463 Ca -0.51 -0.34 -0.47 0.00 -1.27 0.00 0.00 60.65 58.05 3ixw h LYS 463 Cb 1.22 0.13 0.02 0.00 -0.41 0.00 0.00 32.23 33.18 3ixw h LYS 463 CO 0.62 1.02 0.37 0.71 -2.27 0.00 0.00 179.45 179.90 3ixw s TYR 464 N -2.61 3.42 0.05 1.91 2.02 -1.24 -3.59 117.35 117.31 3ixw s TYR 464 Ca -0.10 1.48 0.01 0.00 -0.37 0.00 0.00 57.07 58.08 3ixw s TYR 464 Cb 0.07 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.83 3ixw s TYR 464 CO 0.83 -0.39 0.07 -3.47 -1.57 0.00 0.00 175.55 171.02 3ixw n ASP 465 N -1.55 0.15 -1.26 2.29 2.03 0.13 -4.75 116.55 113.60 3ixw n ASP 465 Ca 0.07 -1.11 0.08 0.00 0.52 0.00 0.00 54.79 54.34 3ixw n ASP 465 Cb 0.54 -0.04 0.28 0.00 -0.72 0.00 0.00 41.12 41.18 3ixw n ASP 465 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3ixw n GLU 466 N -1.11 2.98 0.00 -0.67 0.00 -1.26 -4.46 120.64 116.12 3ixw n GLU 466 Ca 0.01 -2.22 -0.00 0.00 0.00 0.00 0.00 57.16 54.95 3ixw n GLU 466 Cb 0.05 -1.69 -0.00 0.00 0.00 0.00 0.00 31.44 29.79 3ixw n GLU 466 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3ixw n LEU 467 N 0.93 0.07 0.00 -1.84 4.77 -1.26 -5.06 117.00 114.60 3ixw n LEU 467 Ca 0.20 0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3ixw n LEU 467 Cb 0.68 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ixw n LEU 467 CO 0.18 -0.51 0.00 -3.20 -1.33 0.00 0.00 177.39 172.54 3ixw n ASN 468 N -2.57 -0.03 -4.55 -1.43 2.85 -1.26 -5.10 115.26 103.17 3ixw n ASN 468 Ca -0.00 -1.04 -0.37 0.00 -0.11 0.00 0.00 54.58 53.06 3ixw n ASN 468 Cb 0.01 0.05 -0.03 0.00 1.24 0.00 0.00 39.78 41.05 3ixw n ASN 468 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3ixw s ASN 469 N -1.05 5.65 -0.29 1.20 3.04 -1.26 -0.69 114.94 121.54 3ixw s ASN 469 Ca 0.01 -0.32 -0.00 0.00 0.04 0.00 0.00 52.86 52.58 3ixw s ASN 469 Cb -0.00 -2.55 0.09 0.00 -1.54 0.00 0.00 41.25 37.25 3ixw s ASN 469 CO 0.00 -2.19 0.07 -1.59 -3.04 0.00 0.00 177.10 170.36 3ixw s LYS 470 N 6.40 0.89 0.00 0.43 -2.85 -1.24 -4.87 119.74 118.51 3ixw s LYS 470 Ca 0.56 -1.09 -0.02 0.00 -1.00 0.00 0.00 55.97 54.43 3ixw s LYS 470 Cb -0.08 -2.21 -0.08 0.00 -2.06 0.00 0.00 37.83 33.40 3ixw s LYS 470 CO 0.11 -0.90 2.03 1.28 0.10 0.00 0.00 175.35 177.97 3ixw n LEU 471 N 4.78 4.03 -4.55 2.77 4.77 -1.26 -4.78 117.00 122.75 3ixw n LEU 471 Ca -0.03 -2.10 -0.39 0.00 -0.03 0.00 0.00 56.01 53.46 3ixw n LEU 471 Cb 0.43 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 3ixw n LEU 471 CO 0.13 0.92 1.57 -1.61 -1.33 0.00 0.00 177.39 177.07 3ixw s GLU 472 N 0.86 2.73 0.33 3.23 2.02 -1.22 -1.55 118.70 125.09 3ixw s GLU 472 Ca 0.19 0.61 0.12 0.00 0.02 0.00 0.00 54.97 55.92 3ixw s GLU 472 Cb 0.09 -4.35 0.56 0.00 0.10 0.00 0.00 34.13 30.52 3ixw s GLU 472 CO 0.00 -2.61 1.72 -1.00 0.02 0.00 0.00 175.26 173.39 3ixw h PRO 473 N 14.40 0.00 -0.27 0.39 0.13 -1.79 0.16 132.00 145.02 3ixw h PRO 473 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3ixw h PRO 473 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3ixw h PRO 473 CO 1.21 0.49 -0.01 0.22 -0.23 0.00 0.00 178.00 179.67 3ixw h ASP 474 N 0.00 0.49 -0.71 1.44 3.58 -1.83 0.82 116.42 120.20 3ixw h ASP 474 Ca -0.00 -0.32 0.08 0.00 0.42 0.00 0.00 57.03 57.21 3ixw h ASP 474 Cb 0.88 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 3ixw h ASP 474 CO 0.06 0.69 0.38 -0.33 -2.88 0.00 0.00 179.24 177.16 3ixw h GLU 475 N 0.27 0.64 0.00 0.28 5.08 -1.86 -2.87 114.58 116.12 3ixw h GLU 475 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3ixw h GLU 475 Cb 0.45 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ixw h GLU 475 CO 0.02 0.42 -0.09 1.96 -1.00 0.00 0.00 179.01 180.31 3ixw h GLN 476 N 0.65 0.00 -0.01 2.33 4.20 -0.15 -3.13 115.11 119.01 3ixw h GLN 476 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3ixw h GLN 476 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ixw h GLN 476 CO -0.24 0.09 0.03 0.00 -0.67 0.00 0.00 178.83 178.04 3ixw h ARG 477 N 0.00 0.00 0.00 1.46 3.08 -0.61 0.21 114.38 118.52 3ixw h ARG 477 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3ixw h ARG 477 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3ixw h ARG 477 CO 0.01 0.00 -0.41 0.00 -1.07 0.00 0.00 179.97 178.50 3ixw h ARG 478 N 0.00 0.00 0.02 0.04 2.47 -1.72 -3.32 114.38 111.87 3ixw h ARG 478 Ca 0.01 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.36 3ixw h ARG 478 Cb 0.06 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 3ixw h ARG 478 CO -0.00 0.41 -2.31 1.28 0.56 0.00 0.00 179.97 179.91 3ixw n LEU 479 N -3.52 1.75 -4.69 3.04 7.99 0.04 -4.29 117.00 117.33 3ixw n LEU 479 Ca -0.00 0.01 -0.64 0.00 -0.01 0.00 0.00 56.01 55.37 3ixw n LEU 479 Cb 0.54 -0.37 -0.09 0.00 -0.11 0.00 0.00 43.42 43.39 3ixw n LEU 479 CO 0.37 0.73 1.27 0.49 -1.51 0.00 0.00 177.39 178.75 3ixw n PHE 480 N -3.10 1.79 -5.11 -1.77 3.72 0.54 -4.53 117.46 109.00 3ixw n PHE 480 Ca -0.37 0.92 -0.30 0.00 -0.05 0.00 0.00 57.45 57.65 3ixw n PHE 480 Cb 1.06 -2.31 -0.17 0.00 -0.94 0.00 0.00 39.48 37.12 3ixw n PHE 480 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3ixw s ILE 481 N 3.54 1.85 -0.28 4.37 -4.36 0.68 -4.94 121.20 122.06 3ixw s ILE 481 Ca 1.05 -0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 60.21 3ixw s ILE 481 Cb -1.36 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 40.77 3ixw s ILE 481 CO 0.75 0.52 1.20 -0.70 0.24 0.00 0.00 174.94 176.95 3ixw s GLU 482 N 0.09 4.03 0.15 0.37 2.12 -1.26 0.11 118.70 124.31 3ixw s GLU 482 Ca -0.09 1.25 0.18 0.00 0.36 0.00 0.00 54.97 56.67 3ixw s GLU 482 Cb -0.15 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.40 3ixw s GLU 482 CO 0.05 -0.96 1.02 1.25 -0.54 0.00 0.00 175.26 176.08 3ixw h LEU 483 N 10.35 0.00 -7.00 2.70 7.12 -0.41 -3.48 115.31 124.59 3ixw h LEU 483 Ca -0.24 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.89 3ixw h LEU 483 Cb 1.08 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.04 3ixw h LEU 483 CO 1.02 0.42 0.54 -0.62 -0.13 0.00 0.00 178.44 179.67 3ixw s ASP 484 N -5.84 -0.34 -0.28 1.25 -1.08 -1.14 -4.33 116.67 104.90 3ixw s ASP 484 Ca -0.01 0.08 -0.02 0.00 -0.52 0.00 0.00 52.55 52.09 3ixw s ASP 484 Cb 0.08 0.34 0.17 0.00 -1.46 0.00 0.00 42.92 42.06 3ixw s ASP 484 CO 0.79 -0.52 0.54 -0.75 0.52 0.00 0.00 175.17 175.75 3ixw s LYS 485 N -2.62 0.51 0.29 4.34 2.20 -1.24 -0.64 119.74 122.58 3ixw s LYS 485 Ca 0.04 0.89 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 3ixw s LYS 485 Cb -0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 3ixw s LYS 485 CO -0.06 -0.62 0.15 -0.59 -0.36 0.00 0.00 175.35 173.87 3ixw s PHE 486 N 2.77 1.55 -0.15 4.03 -0.71 -0.77 -4.77 117.98 119.94 3ixw s PHE 486 Ca 0.18 -1.35 -0.04 0.00 -1.04 0.00 0.00 56.93 54.68 3ixw s PHE 486 Cb -0.15 -0.83 -0.03 0.00 -1.21 0.00 0.00 43.02 40.80 3ixw s PHE 486 CO -0.19 -0.51 -0.02 0.12 -1.34 0.00 0.00 175.22 173.27 3ixw s PHE 487 N -3.68 3.06 0.18 3.49 5.36 -1.26 -0.33 117.98 124.81 3ixw s PHE 487 Ca 0.36 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3ixw s PHE 487 Cb 0.06 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 40.74 3ixw s PHE 487 CO 0.17 0.04 0.02 -0.47 -1.46 0.00 0.00 175.22 173.52 3ixw s TYR 488 N 0.22 1.23 -0.04 10.12 5.04 -1.10 -4.97 117.35 127.84 3ixw s TYR 488 Ca -0.01 -1.06 0.07 0.00 -2.44 0.00 0.00 57.07 53.62 3ixw s TYR 488 Cb -0.14 -0.70 -0.01 0.00 0.35 0.00 0.00 41.96 41.46 3ixw s TYR 488 CO 0.03 -0.26 -0.25 0.99 -1.34 0.00 0.00 175.55 174.72 3ixw s THR 489 N -3.70 1.99 -0.21 4.34 2.01 -1.26 -0.74 115.64 118.06 3ixw s THR 489 Ca 0.26 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.22 3ixw s THR 489 Cb 0.06 -1.67 0.05 0.00 0.01 0.00 0.00 72.50 70.95 3ixw s THR 489 CO 0.05 0.56 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.71 3ixw s LEU 490 N -0.31 2.37 1.04 4.42 1.02 0.14 -4.96 118.68 122.40 3ixw s LEU 490 Ca 0.01 -1.02 -0.13 0.00 0.02 0.00 0.00 54.13 53.02 3ixw s LEU 490 Cb -0.12 -1.17 0.21 0.00 0.02 0.00 0.00 46.19 45.13 3ixw s LEU 490 CO 0.02 -0.20 1.08 0.42 0.02 0.00 0.00 176.35 177.69 3ixw s THR 491 N 1.42 2.00 0.76 5.49 -4.23 -1.26 0.46 115.64 120.28 3ixw s THR 491 Ca -0.04 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.32 3ixw s THR 491 Cb -0.18 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.27 3ixw s THR 491 CO -0.07 -0.00 0.95 -2.65 -0.54 0.00 0.00 174.62 172.31 3ixw n PRO 492 N -4.35 0.35 0.00 3.99 -0.02 -1.26 -4.61 135.00 129.09 3ixw n PRO 492 Ca 0.04 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3ixw n PRO 492 Cb 0.57 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3ixw n PRO 492 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixw n GLY 493 N 1.03 -0.93 3.65 -1.23 0.00 -0.46 -4.81 105.19 102.43 3ixw n GLY 493 Ca 0.12 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 3ixw n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixw s LYS 494 N 0.00 3.97 0.04 1.61 3.01 -1.25 -1.00 119.74 126.13 3ixw s LYS 494 Ca 0.00 2.20 0.08 0.00 -1.01 0.00 0.00 55.97 57.25 3ixw s LYS 494 Cb 0.00 -4.10 -0.03 0.00 -1.01 0.00 0.00 37.83 32.70 3ixw s LYS 494 CO 0.00 -1.11 -0.24 -0.80 0.51 0.00 0.00 175.35 173.71 3ixw s ASN 495 N 4.43 2.87 -0.02 2.83 0.02 0.75 -4.94 114.94 120.88 3ixw s ASN 495 Ca 0.81 -0.56 0.07 0.00 -1.02 0.00 0.00 52.86 52.16 3ixw s ASN 495 Cb -0.35 -0.25 -0.02 0.00 0.02 0.00 0.00 41.25 40.65 3ixw s ASN 495 CO 0.34 0.22 -0.25 0.42 0.02 0.00 0.00 177.10 177.85 3ixw s THR 496 N -0.80 1.94 0.01 1.60 -4.23 -1.26 0.12 115.64 113.03 3ixw s THR 496 Ca 0.10 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.64 3ixw s THR 496 Cb -0.09 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3ixw s THR 496 CO 0.02 0.55 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.79 3ixw s ILE 497 N -0.54 2.35 -0.06 2.99 1.01 0.03 -4.96 121.20 122.02 3ixw s ILE 497 Ca 0.08 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.62 3ixw s ILE 497 Cb -0.10 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.49 3ixw s ILE 497 CO -0.01 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 3ixw s VAL 498 N -0.74 1.30 -0.06 2.92 1.01 -1.26 -1.24 120.40 122.33 3ixw s VAL 498 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3ixw s VAL 498 Cb -0.10 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3ixw s VAL 498 CO 0.01 0.39 0.11 -0.60 0.00 0.00 0.00 175.10 175.01 3ixw s ARG 499 N 0.43 -0.03 0.12 2.72 6.06 -0.73 -4.93 118.95 122.59 3ixw s ARG 499 Ca -0.11 0.46 -0.16 0.00 -2.50 0.00 0.00 55.73 53.42 3ixw s ARG 499 Cb -0.14 -0.41 -0.07 0.00 0.06 0.00 0.00 34.95 34.39 3ixw s ARG 499 CO 0.04 -0.32 0.56 0.54 -2.50 0.00 0.00 175.30 173.61 3ixw s ASN 500 N 2.23 6.90 0.23 -2.12 4.22 -1.26 -0.94 114.94 124.20 3ixw s ASN 500 Ca 0.04 1.14 0.11 0.00 -2.14 0.00 0.00 52.86 52.01 3ixw s ASN 500 Cb -0.12 -2.31 0.79 0.00 1.28 0.00 0.00 41.25 40.89 3ixw s ASN 500 CO -0.04 0.16 1.03 1.57 -2.04 0.00 0.00 177.10 177.77 3ixw n HIS 501 N 1.11 0.68 -0.25 1.54 -0.00 0.39 -2.90 115.22 115.78 3ixw n HIS 501 Ca -0.07 0.77 -0.06 0.00 -0.00 0.00 0.00 57.72 58.36 3ixw n HIS 501 Cb 0.51 -1.16 0.07 0.00 -0.00 0.00 0.00 29.99 29.42 3ixw n HIS 501 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 3ixw h GLN 502 N 0.00 1.13 -0.91 1.57 1.08 -1.94 -2.95 115.11 113.09 3ixw h GLN 502 Ca 0.52 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 3ixw h GLN 502 Cb 1.32 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 3ixw h GLN 502 CO -0.53 0.98 0.03 -0.25 -0.95 0.00 0.00 178.83 178.11 3ixw n ASP 503 N -4.24 2.40 -4.67 1.46 8.00 -1.14 -4.89 116.55 113.46 3ixw n ASP 503 Ca 0.06 -2.27 -0.46 0.00 0.71 0.00 0.00 54.79 52.83 3ixw n ASP 503 Cb 0.24 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 3ixw n ASP 503 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ixw n SER 504 N 0.14 3.12 -0.17 -2.24 2.88 -1.12 -4.92 113.62 111.32 3ixw n SER 504 Ca 0.09 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3ixw n SER 504 Cb 0.55 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3ixw n SER 504 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ixw n SER 505 N 3.62 0.23 -0.00 -3.46 7.64 -1.26 -3.48 113.62 116.90 3ixw n SER 505 Ca 0.17 -1.35 0.05 0.00 1.01 0.00 0.00 58.87 58.76 3ixw n SER 505 Cb 0.29 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 3ixw n SER 505 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3ixw n VAL 506 N -0.28 0.00 -3.75 0.44 0.24 -1.26 -0.47 118.33 113.26 3ixw n VAL 506 Ca 0.00 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 3ixw n VAL 506 Cb 0.06 0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 32.91 3ixw n VAL 506 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ixw s THR 507 N -2.45 5.24 0.18 3.34 -4.23 -1.23 0.14 115.64 116.62 3ixw s THR 507 Ca -0.01 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.03 3ixw s THR 507 Cb 0.07 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.18 3ixw s THR 507 CO 0.43 0.01 0.85 -0.51 -0.54 0.00 0.00 174.62 174.86 3ixw s ILE 508 N -1.67 4.30 0.00 2.99 1.10 -0.40 -3.02 121.20 124.49 3ixw s ILE 508 Ca 0.39 1.86 0.00 0.00 -0.51 0.00 0.00 60.65 62.39 3ixw s ILE 508 Cb -0.12 -4.22 0.00 0.00 0.15 0.00 0.00 42.46 38.27 3ixw s ILE 508 CO 0.27 0.49 0.00 -1.54 -2.11 0.00 0.00 174.94 172.05 3ixw n SER 509 N 1.74 0.00 -4.83 4.50 3.41 -1.26 -4.07 113.62 113.11 3ixw n SER 509 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 3ixw n SER 509 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 3ixw n SER 509 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ixw s LYS 510 N 0.00 3.82 0.19 4.33 2.47 -1.26 -4.92 119.74 124.36 3ixw s LYS 510 Ca 0.00 0.18 0.09 0.00 -1.56 0.00 0.00 55.97 54.68 3ixw s LYS 510 Cb 0.00 -3.25 -0.04 0.00 -1.46 0.00 0.00 37.83 33.08 3ixw s LYS 510 CO 0.00 0.64 -0.19 0.54 0.16 0.00 0.00 175.35 176.51 3ixw s VAL 511 N -0.80 1.96 -0.21 4.02 0.11 -1.26 -4.73 120.40 119.49 3ixw s VAL 511 Ca 0.20 -2.02 -0.07 0.00 -2.93 0.00 0.00 61.98 57.16 3ixw s VAL 511 Cb -0.15 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 3ixw s VAL 511 CO 0.09 -0.33 0.06 -0.13 -3.33 0.00 0.00 175.10 171.46 3ixw s ARG 512 N -2.94 3.80 0.52 1.54 1.81 -1.26 -5.08 118.95 117.32 3ixw s ARG 512 Ca 0.19 -0.42 -0.20 0.00 -1.72 0.00 0.00 55.73 53.57 3ixw s ARG 512 Cb -0.05 -3.23 -0.07 0.00 -0.45 0.00 0.00 34.95 31.14 3ixw s ARG 512 CO 0.08 0.06 1.08 -0.08 -0.68 0.00 0.00 175.30 175.76 3ixw s THR 513 N 0.95 3.49 0.56 0.02 -1.32 -1.26 -4.88 115.64 113.20 3ixw s THR 513 Ca 0.03 0.92 0.38 0.00 -1.21 0.00 0.00 61.69 61.81 3ixw s THR 513 Cb -0.14 -3.37 0.56 0.00 -1.51 0.00 0.00 72.50 68.04 3ixw s THR 513 CO 0.03 -0.20 1.68 0.15 -2.21 0.00 0.00 174.62 174.07 3ixw h PHE 514 N 1.36 0.00 0.21 9.09 3.04 -1.98 -0.80 116.94 127.87 3ixw h PHE 514 Ca -0.50 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.44 3ixw h PHE 514 Cb 1.24 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.75 3ixw h PHE 514 CO 0.54 0.00 -0.10 -0.44 -2.02 0.00 0.00 178.31 176.29 3ixw h ASP 515 N 0.00 -0.24 -0.80 0.41 3.32 -1.98 -0.75 116.42 116.37 3ixw h ASP 515 Ca 0.61 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.55 3ixw h ASP 515 Cb 2.62 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 42.16 3ixw h ASP 515 CO -0.01 0.06 0.46 1.56 -1.72 0.00 0.00 179.24 179.59 3ixw h GLN 516 N -0.55 0.77 -0.49 3.56 4.20 -1.52 -0.59 115.11 120.49 3ixw h GLN 516 Ca -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3ixw h GLN 516 Cb 0.41 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3ixw h GLN 516 CO 0.05 0.51 0.27 -0.07 -0.67 0.00 0.00 178.83 178.91 3ixw h LEU 517 N 0.79 0.62 -2.90 1.46 3.38 -1.45 0.36 115.31 117.58 3ixw h LEU 517 Ca 0.37 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ixw h LEU 517 Cb 0.30 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ixw h LEU 517 CO -0.22 0.54 -0.00 1.23 0.09 0.00 0.00 178.44 180.07 3ixw h GLY 518 N 0.65 0.00 0.00 0.83 0.00 0.41 -3.37 103.07 101.60 3ixw h GLY 518 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3ixw h GLY 518 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3ixw n ALA 519 N -2.11 0.00 0.00 3.60 0.00 -0.65 -5.08 120.51 116.27 3ixw n ALA 519 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ixw n ALA 519 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3ixw n ALA 519 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixw n GLY 520 N 3.14 3.64 3.44 0.00 0.00 0.03 -5.08 105.19 110.36 3ixw n GLY 520 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3ixw n GLY 520 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixw s GLU 521 N -1.17 1.32 -0.33 1.61 2.02 -1.26 -5.05 118.70 115.84 3ixw s GLU 521 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.82 3ixw s GLU 521 Cb 0.00 0.43 0.10 0.00 0.10 0.00 0.00 34.13 34.76 3ixw s GLU 521 CO 0.00 -0.52 0.11 0.20 0.02 0.00 0.00 175.26 175.07 3ixw s GLY 522 N -2.98 1.28 -0.03 -1.39 0.00 -1.26 -4.94 107.32 98.00 3ixw s GLY 522 Ca 0.19 -1.92 -0.00 0.00 0.00 0.00 0.00 44.72 42.99 3ixw s GLY 522 CO 0.03 1.50 -0.03 -0.62 0.00 0.00 0.00 173.10 173.98 3ixw n VAL 523 N 4.60 0.16 0.00 1.40 0.31 -1.26 -5.03 118.33 118.52 3ixw n VAL 523 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3ixw n VAL 523 Cb 0.41 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3ixw n VAL 523 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3ixw n SER 524 N -2.75 0.00 -3.21 4.52 3.41 -1.26 -4.96 113.62 109.37 3ixw n SER 524 Ca -0.05 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 3ixw n SER 524 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3ixw n SER 524 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ixw s GLU 525 N 3.03 0.79 0.00 4.33 8.01 -1.26 -4.90 118.70 128.69 3ixw s GLU 525 Ca 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 54.97 54.79 3ixw s GLU 525 Cb 0.00 0.09 0.00 0.00 -4.31 0.00 0.00 34.13 29.91 3ixw s GLU 525 CO 0.00 -1.17 0.00 -0.25 0.01 0.00 0.00 175.26 173.85 3ixw n ASP 526 N 4.53 0.00 0.00 -0.19 8.00 -1.26 0.12 116.55 127.74 3ixw n ASP 526 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3ixw n ASP 526 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3ixw n ASP 526 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ixw n SER 527 N 0.00 1.46 0.22 -2.24 3.41 -1.26 -3.16 113.62 112.05 3ixw n SER 527 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3ixw n SER 527 Cb 0.00 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.59 3ixw n SER 527 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ixw h THR 528 N 0.00 0.00 0.20 6.66 2.02 -1.93 0.32 112.91 120.18 3ixw h THR 528 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ixw h THR 528 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3ixw h THR 528 CO 0.00 0.00 -0.10 1.05 0.37 0.00 0.00 175.52 176.84 3ixw h GLU 529 N 0.00 -0.26 -0.97 6.66 4.11 -1.93 -2.89 114.58 119.31 3ixw h GLU 529 Ca 0.00 0.02 0.28 0.00 0.07 0.00 0.00 59.36 59.73 3ixw h GLU 529 Cb 0.33 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.50 3ixw h GLU 529 CO 0.00 -0.17 0.49 0.10 0.07 0.00 0.00 179.01 179.50 3ixw h TYR 530 N -0.75 0.80 0.00 2.06 -0.00 -0.69 0.23 116.97 118.62 3ixw h TYR 530 Ca -0.03 0.04 -0.08 0.00 0.00 0.00 0.00 58.73 58.66 3ixw h TYR 530 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 36.73 3ixw h TYR 530 CO 0.02 -0.13 -1.02 0.00 -0.00 0.00 0.00 178.16 177.03 3ixw h SER 532 N -0.65 0.00 -2.19 0.00 0.02 -1.52 -3.43 113.55 105.78 3ixw h SER 532 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3ixw h SER 532 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3ixw h SER 532 CO -0.08 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.61 3ixw n GLY 534 N 5.00 -1.74 3.77 0.00 0.00 -1.26 -4.21 105.19 106.75 3ixw n GLY 534 Ca 0.00 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 3ixw n GLY 534 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ixw s TRP 535 N -3.14 3.20 0.66 1.61 -0.11 0.37 -4.38 118.94 117.14 3ixw s TRP 535 Ca 0.00 1.58 -0.17 0.00 1.22 0.00 0.00 56.10 58.73 3ixw s TRP 535 Cb 0.00 -3.38 -0.02 0.00 -1.50 0.00 0.00 33.47 28.57 3ixw s TRP 535 CO 0.00 -1.15 1.03 -0.35 -4.62 0.00 0.00 176.95 171.86 3ixw n PRO 536 N 0.39 0.78 0.07 5.86 -0.04 -1.26 -1.28 135.00 139.52 3ixw n PRO 536 Ca 0.03 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.70 3ixw n PRO 536 Cb 0.46 -2.26 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3ixw n PRO 536 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ixw h GLU 537 N 0.20 -0.24 0.00 0.54 4.81 -1.92 -3.08 114.58 114.89 3ixw h GLU 537 Ca -0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3ixw h GLU 537 Cb 1.35 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.78 3ixw h GLU 537 CO 0.50 0.16 0.48 1.12 -0.73 0.00 0.00 179.01 180.54 3ixw h HIS 538 N -0.88 0.00 -0.31 0.92 2.07 -1.94 0.42 115.15 115.43 3ixw h HIS 538 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 3ixw h HIS 538 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 3ixw h HIS 538 CO 0.07 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.60 3ixw n MET 539 N -2.33 3.21 0.10 5.12 2.81 -1.16 -3.62 117.12 121.23 3ixw n MET 539 Ca -0.01 -2.87 0.02 0.00 -1.81 0.00 0.00 57.70 53.04 3ixw n MET 539 Cb 0.51 -1.89 0.39 0.00 -0.71 0.00 0.00 33.22 31.52 3ixw n MET 539 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3ixw h LEU 540 N 2.14 0.28 -7.64 4.03 5.85 -0.94 -3.41 115.31 115.62 3ixw h LEU 540 Ca 0.00 -0.05 -0.47 0.00 0.84 0.00 0.00 57.88 58.20 3ixw h LEU 540 Cb 1.50 -0.07 -0.37 0.00 0.37 0.00 0.00 40.66 42.09 3ixw h LEU 540 CO 0.25 0.39 -0.78 -0.63 -0.34 0.00 0.00 178.44 177.33 3ixw s ILE 541 N -4.85 0.70 0.98 4.05 1.09 -1.26 -5.02 121.20 116.89 3ixw s ILE 541 Ca -0.06 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.25 3ixw s ILE 541 Cb 0.16 -0.77 0.08 0.00 -1.06 0.00 0.00 42.46 40.87 3ixw s ILE 541 CO 0.73 0.30 0.53 -2.65 -0.10 0.00 0.00 174.94 173.76 3ixw n PRO 542 N 4.82 -0.61 -0.14 2.79 -0.02 -1.26 -4.90 135.00 135.69 3ixw n PRO 542 Ca -0.13 -0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.34 3ixw n PRO 542 Cb 0.50 -1.95 0.46 0.00 -0.02 0.00 0.00 33.50 32.49 3ixw n PRO 542 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ixw h ARG 543 N -1.75 0.48 0.00 -0.52 2.43 -1.94 -3.48 114.38 109.60 3ixw h ARG 543 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3ixw h ARG 543 Cb 1.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3ixw h ARG 543 CO 0.37 0.32 0.00 0.41 -1.51 0.00 0.00 179.97 179.56 3ixw n GLY 544 N -1.50 3.07 3.59 2.80 0.00 -1.26 -3.58 105.19 108.31 3ixw n GLY 544 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3ixw n GLY 544 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixw s SER 545 N -4.00 -0.18 0.40 1.61 0.01 -1.25 -3.95 113.70 106.34 3ixw s SER 545 Ca 0.00 -0.70 0.13 0.00 1.31 0.00 0.00 55.95 56.69 3ixw s SER 545 Cb 0.00 0.60 0.83 0.00 0.21 0.00 0.00 66.02 67.66 3ixw s SER 545 CO 0.00 -1.13 1.89 -0.74 0.41 0.00 0.00 173.24 173.68 3ixw h HIS 546 N 2.21 0.02 -0.04 2.43 2.76 -1.89 -1.03 115.15 119.61 3ixw h HIS 546 Ca -0.26 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.89 3ixw h HIS 546 Cb 1.25 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 3ixw h HIS 546 CO 0.39 0.30 -0.06 1.57 -1.30 0.00 0.00 177.93 178.83 3ixw h LYS 547 N 0.02 0.05 -0.48 5.26 2.10 -1.90 -3.42 116.57 118.20 3ixw h LYS 547 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3ixw h LYS 547 Cb 0.51 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3ixw h LYS 547 CO 0.04 0.11 0.00 0.41 -2.00 0.00 0.00 179.45 178.01 3ixw n GLY 548 N -1.31 -0.45 3.93 0.07 0.00 -1.00 -5.01 105.19 101.42 3ixw n GLY 548 Ca -0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 3ixw n GLY 548 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ixw s MET 549 N -0.09 3.21 -0.10 1.61 1.75 0.09 -4.79 119.30 120.98 3ixw s MET 549 Ca 0.00 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 3ixw s MET 549 Cb 0.00 -2.42 0.01 0.00 2.84 0.00 0.00 34.83 35.26 3ixw s MET 549 CO 0.00 -0.34 -0.15 -2.00 -0.65 0.00 0.00 175.02 171.88 3ixw s GLU 550 N -4.72 2.18 0.02 4.11 2.12 -1.26 -0.87 118.70 120.28 3ixw s GLU 550 Ca 0.49 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3ixw s GLU 550 Cb -0.10 -1.85 -0.00 0.00 0.26 0.00 0.00 34.13 32.44 3ixw s GLU 550 CO 0.42 -0.05 0.01 1.19 -0.54 0.00 0.00 175.26 176.29 3ixw n PHE 551 N 4.17 -0.00 -3.76 5.30 3.01 0.18 -2.60 117.46 123.76 3ixw n PHE 551 Ca -0.19 -0.16 -0.23 0.00 1.01 0.00 0.00 57.45 57.88 3ixw n PHE 551 Cb 0.51 0.00 -0.18 0.00 -0.01 0.00 0.00 39.48 39.81 3ixw n PHE 551 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3ixw s GLU 552 N -2.09 0.52 -0.55 -1.08 2.12 0.55 -2.97 118.70 115.20 3ixw s GLU 552 Ca 0.01 0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 3ixw s GLU 552 Cb 0.00 -0.95 0.13 0.00 0.26 0.00 0.00 34.13 33.57 3ixw s GLU 552 CO 0.01 -0.32 0.50 -1.17 -0.54 0.00 0.00 175.26 173.74 3ixw s LEU 553 N 2.00 6.17 -0.22 2.70 2.96 -0.96 -0.44 118.68 130.88 3ixw s LEU 553 Ca 0.05 -1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 52.06 3ixw s LEU 553 Cb -0.12 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 3ixw s LEU 553 CO -0.05 -0.83 0.01 0.12 -1.32 0.00 0.00 176.35 174.28 3ixw s PHE 554 N 1.52 3.04 0.05 5.38 2.19 0.55 -0.06 117.98 130.64 3ixw s PHE 554 Ca 0.04 -0.56 0.04 0.00 0.33 0.00 0.00 56.93 56.78 3ixw s PHE 554 Cb -0.29 -2.14 -0.04 0.00 -1.31 0.00 0.00 43.02 39.24 3ixw s PHE 554 CO 0.02 -0.36 -0.03 0.08 1.83 0.00 0.00 175.22 176.76 3ixw s VAL 555 N 1.33 3.85 0.05 3.12 1.01 0.77 0.67 120.40 131.19 3ixw s VAL 555 Ca 0.04 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3ixw s VAL 555 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3ixw s VAL 555 CO 0.01 0.24 -0.16 -0.32 0.00 0.00 0.00 175.10 174.87 3ixw s MET 556 N -1.91 1.06 -0.25 2.72 1.75 0.45 -1.51 119.30 121.60 3ixw s MET 556 Ca 0.22 -0.86 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 3ixw s MET 556 Cb -0.11 -1.12 0.04 0.00 2.84 0.00 0.00 34.83 36.48 3ixw s MET 556 CO 0.13 0.27 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.16 3ixw s LEU 557 N -1.28 3.22 0.48 4.11 1.02 -0.12 -1.04 118.68 125.06 3ixw s LEU 557 Ca 0.03 -1.14 0.08 0.00 0.02 0.00 0.00 54.13 53.11 3ixw s LEU 557 Cb -0.08 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.56 3ixw s LEU 557 CO 0.02 -0.15 0.49 -0.89 0.02 0.00 0.00 176.35 175.84 3ixw s THR 558 N 1.20 2.34 0.21 5.49 2.01 0.23 -4.36 115.64 122.76 3ixw s THR 558 Ca -0.04 -1.27 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 3ixw s THR 558 Cb -0.18 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.64 3ixw s THR 558 CO -0.06 0.00 0.73 -0.62 -0.69 0.00 0.00 174.62 173.98 3ixw s ASP 559 N -4.30 7.10 0.05 3.53 -1.08 -1.26 -0.08 116.67 120.63 3ixw s ASP 559 Ca 0.48 1.45 0.01 0.00 -0.52 0.00 0.00 52.55 53.97 3ixw s ASP 559 Cb -0.04 -2.43 -0.26 0.00 -1.46 0.00 0.00 42.92 38.73 3ixw s ASP 559 CO 0.29 0.06 1.03 -0.74 0.52 0.00 0.00 175.17 176.33 3ixw h HIS 560 N 3.57 0.30 -0.03 -5.34 -0.00 -1.47 0.11 115.15 112.30 3ixw h HIS 560 Ca -0.48 -0.22 -0.12 0.00 -0.00 0.00 0.00 60.37 59.56 3ixw h HIS 560 Cb 1.20 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 3ixw h HIS 560 CO 0.64 1.21 -0.53 -0.44 -0.00 0.00 0.00 177.93 178.81 3ixw h ASP 561 N 0.04 0.08 0.65 3.26 3.32 -1.94 0.22 116.42 122.06 3ixw h ASP 561 Ca -0.16 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3ixw h ASP 561 Cb 1.94 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 41.47 3ixw h ASP 561 CO 0.16 0.60 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.88 3ixw h GLU 562 N 0.06 -0.84 0.00 3.56 4.81 -1.93 -3.35 114.58 116.88 3ixw h GLU 562 Ca -0.00 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3ixw h GLU 562 Cb 0.96 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ixw h GLU 562 CO 0.07 -0.55 -0.12 -0.44 -0.73 0.00 0.00 179.01 177.24 3ixw h ASP 563 N -1.21 0.00 -3.31 1.04 3.32 -0.83 -3.45 116.42 111.98 3ixw h ASP 563 Ca -0.09 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.44 3ixw h ASP 563 Cb 0.68 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.28 3ixw h ASP 563 CO 0.15 0.12 0.74 -0.89 -1.72 0.00 0.00 179.24 177.64 3ixw s THR 564 N -4.21 2.86 0.19 0.35 2.01 0.77 -2.22 115.64 115.39 3ixw s THR 564 Ca -0.03 0.70 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 3ixw s THR 564 Cb 0.13 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 3ixw s THR 564 CO 0.59 0.10 0.60 -0.69 -0.69 0.00 0.00 174.62 174.53 3ixw s VAL 565 N 0.19 4.80 -0.20 3.82 1.01 -0.91 -4.90 120.40 124.22 3ixw s VAL 565 Ca 0.60 0.86 -0.33 0.00 0.00 0.00 0.00 61.98 63.10 3ixw s VAL 565 Cb -0.40 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 3ixw s VAL 565 CO 0.40 0.14 2.04 0.00 0.00 0.00 0.00 175.10 177.68 3ixw n ALA 566 N 0.50 1.10 -0.03 5.51 0.00 -1.26 -4.41 120.51 121.91 3ixw n ALA 566 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3ixw n ALA 566 Cb 0.52 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3ixw n ALA 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixw n GLY 567 N 5.30 1.01 3.86 0.00 0.00 -1.26 -5.06 105.19 109.04 3ixw n GLY 567 Ca 0.30 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3ixw n GLY 567 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixw s LEU 568 N 0.00 4.42 -0.17 0.99 1.43 -1.26 -5.05 118.68 119.05 3ixw s LEU 568 Ca 0.00 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 3ixw s LEU 568 Cb 0.00 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3ixw s LEU 568 CO 0.00 0.37 0.22 -0.44 0.23 0.00 0.00 176.35 176.73 3ixw s SER 569 N -1.01 6.36 -0.05 2.29 0.01 -1.26 -4.97 113.70 115.07 3ixw s SER 569 Ca 0.18 0.41 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 3ixw s SER 569 Cb -0.14 -2.14 -0.24 0.00 0.21 0.00 0.00 66.02 63.71 3ixw s SER 569 CO 0.08 0.16 1.00 -0.08 0.41 0.00 0.00 173.24 174.81 3ixw h GLU 570 N 6.47 0.18 -6.16 12.44 4.81 -2.02 -3.46 114.58 126.84 3ixw h GLU 570 Ca -0.43 -0.21 -0.57 0.00 -0.13 0.00 0.00 59.36 58.03 3ixw h GLU 570 Cb 1.17 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 3ixw h GLU 570 CO 0.74 0.96 0.77 -0.80 -0.73 0.00 0.00 179.01 179.94 3ixw s ASN 571 N -6.38 7.08 -0.48 1.04 0.02 -1.26 -4.99 114.94 109.97 3ixw s ASN 571 Ca -0.16 1.54 -0.28 0.00 -1.02 0.00 0.00 52.86 52.95 3ixw s ASN 571 Cb 0.01 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.72 3ixw s ASN 571 CO 0.75 -0.64 1.69 0.00 0.02 0.00 0.00 177.10 178.92 3ixw s ALA 572 N 2.90 2.65 -0.34 0.60 0.00 -1.26 -4.81 121.76 121.50 3ixw s ALA 572 Ca 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3ixw s ALA 572 Cb -0.19 -4.12 0.12 0.00 0.00 0.00 0.00 23.12 18.94 3ixw s ALA 572 CO 0.13 -3.07 0.17 0.08 0.00 0.00 0.00 175.76 173.06 3ixw s VAL 573 N 7.23 0.51 0.00 0.00 1.01 -1.26 -4.72 120.40 123.17 3ixw s VAL 573 Ca 0.68 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3ixw s VAL 573 Cb -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3ixw s VAL 573 CO 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 175.10 174.54 3ixw n SER 575 N 0.00 2.55 0.34 0.00 3.41 -1.05 0.24 113.62 119.11 3ixw n SER 575 Ca 0.00 -1.98 -0.17 0.00 -0.26 0.00 0.00 58.87 56.46 3ixw n SER 575 Cb 0.00 -0.30 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 3ixw n SER 575 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3ixw h ASP 576 N 2.83 -0.71 -0.25 4.04 3.58 -1.84 -3.32 116.42 120.76 3ixw h ASP 576 Ca 0.00 0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.26 3ixw h ASP 576 Cb 0.65 0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.80 3ixw h ASP 576 CO 0.00 -0.49 -0.01 0.00 -2.88 0.00 0.00 179.24 175.85 3ixw n ALA 577 N -2.47 5.46 -0.31 -0.78 0.00 0.14 -4.04 120.51 118.51 3ixw n ALA 577 Ca -0.13 -1.44 0.18 0.00 0.00 0.00 0.00 53.44 52.04 3ixw n ALA 577 Cb 0.35 -1.74 0.43 0.00 0.00 0.00 0.00 19.45 18.49 3ixw n ALA 577 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3ixw h VAL 578 N 1.53 0.64 0.32 0.00 -1.51 -1.22 -1.55 116.25 114.46 3ixw h VAL 578 Ca 0.18 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 3ixw h VAL 578 Cb 1.13 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3ixw h VAL 578 CO 0.35 0.10 -0.15 0.28 -1.23 0.00 0.00 177.57 176.92 3ixw h SER 579 N 0.55 -0.36 0.66 4.19 0.02 -1.06 -2.78 113.55 114.77 3ixw h SER 579 Ca 0.55 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 3ixw h SER 579 Cb 1.16 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3ixw h SER 579 CO -0.30 -0.26 0.00 -1.22 -1.14 0.00 0.00 176.83 173.91 3ixw n TYR 580 N -3.15 0.00 0.00 3.45 4.01 -1.24 -4.56 117.16 115.67 3ixw n TYR 580 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3ixw n TYR 580 Cb 0.17 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3ixw n TYR 580 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ixw n GLY 582 N 0.83 0.57 3.38 0.00 0.00 -0.59 -4.97 105.19 104.40 3ixw n GLY 582 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 3ixw n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixw s ALA 583 N -1.05 -0.82 -0.13 4.61 0.00 -1.26 -2.52 121.76 120.59 3ixw s ALA 583 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 3ixw s ALA 583 Cb 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3ixw s ALA 583 CO 0.00 -0.69 0.09 1.03 0.00 0.00 0.00 175.76 176.19 3ixw s ARG 584 N -3.84 3.48 -1.63 0.00 1.81 -1.05 -4.09 118.95 113.62 3ixw s ARG 584 Ca 0.06 -0.24 -0.12 0.00 -1.72 0.00 0.00 55.73 53.71 3ixw s ARG 584 Cb 0.01 -3.12 0.12 0.00 -0.45 0.00 0.00 34.95 31.51 3ixw s ARG 584 CO -0.08 0.63 0.29 -0.25 -0.68 0.00 0.00 175.30 175.22 3ixw n ASP 585 N 2.41 -0.45 -2.96 0.23 9.92 -1.26 -5.01 116.55 119.43 3ixw n ASP 585 Ca -0.19 -1.20 -0.17 0.00 -0.53 0.00 0.00 54.79 52.71 3ixw n ASP 585 Cb 0.54 -1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 39.45 3ixw n ASP 585 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3ixw n ASP 586 N -2.50 -0.27 -4.77 -2.24 2.03 -1.26 -5.18 116.55 102.37 3ixw n ASP 586 Ca -0.09 -2.82 -0.21 0.00 0.52 0.00 0.00 54.79 52.19 3ixw n ASP 586 Cb 0.54 1.29 0.04 0.00 -0.72 0.00 0.00 41.12 42.27 3ixw n ASP 586 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3ixw n ARG 587 N -0.57 0.66 -2.32 -0.67 0.63 -1.26 -4.84 116.66 108.29 3ixw n ARG 587 Ca 0.04 -3.11 -0.43 0.00 -0.92 0.00 0.00 57.85 53.44 3ixw n ARG 587 Cb 0.50 0.01 -0.02 0.00 0.45 0.00 0.00 32.46 33.40 3ixw n ARG 587 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 3ixw s TYR 588 N -2.51 2.32 -0.62 -0.14 5.04 -1.26 -4.73 117.35 115.45 3ixw s TYR 588 Ca 0.47 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 3ixw s TYR 588 Cb -0.04 -4.31 0.00 0.00 0.35 0.00 0.00 41.96 37.97 3ixw s TYR 588 CO 0.30 -2.07 0.79 -2.30 -1.34 0.00 0.00 175.55 170.92 3ixw n PRO 589 N 8.21 0.00 -4.96 4.97 -0.02 -1.26 -4.48 135.00 137.46 3ixw n PRO 589 Ca 0.17 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3ixw n PRO 589 Cb 0.48 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 32.11 3ixw n PRO 589 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ixw s ASP 590 N -2.58 3.38 0.21 2.55 2.15 -1.26 -2.14 116.67 118.99 3ixw s ASP 590 Ca 0.00 -0.50 -0.11 0.00 0.43 0.00 0.00 52.55 52.37 3ixw s ASP 590 Cb 0.00 -1.48 0.30 0.00 -0.30 0.00 0.00 42.92 41.44 3ixw s ASP 590 CO 0.00 0.14 1.65 0.50 -0.17 0.00 0.00 175.17 177.29 3ixw h LYS 591 N 6.86 0.09 -7.24 4.34 1.63 -1.67 -3.45 116.57 117.13 3ixw h LYS 591 Ca -0.24 -0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.07 3ixw h LYS 591 Cb 1.22 -0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.88 3ixw h LYS 591 CO 0.51 0.06 0.38 0.15 -3.45 0.00 0.00 179.45 177.10 3ixw s LYS 592 N -6.16 3.59 0.27 1.90 3.01 -1.26 -4.95 119.74 116.14 3ixw s LYS 592 Ca -0.14 0.99 -0.30 0.00 -1.01 0.00 0.00 55.97 55.51 3ixw s LYS 592 Cb 0.19 -2.08 -0.13 0.00 -1.01 0.00 0.00 37.83 34.81 3ixw s LYS 592 CO 0.74 -0.57 1.46 0.00 0.51 0.00 0.00 175.35 177.49 3ixw n ALA 593 N -2.08 1.67 -1.66 5.17 0.00 -1.26 -4.85 120.51 117.50 3ixw n ALA 593 Ca 0.07 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 3ixw n ALA 593 Cb 0.54 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3ixw n ALA 593 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ixw s MET 594 N -0.62 3.46 0.00 0.00 -1.94 -1.26 -1.24 119.30 117.70 3ixw s MET 594 Ca 0.65 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.79 3ixw s MET 594 Cb -0.58 -4.29 0.00 0.00 2.01 0.00 0.00 34.83 31.96 3ixw s MET 594 CO 0.51 -1.73 0.00 0.41 -0.01 0.00 0.00 175.02 174.20 3ixw n GLY 595 N 5.35 3.00 3.69 -0.03 0.00 -1.26 -4.88 105.19 111.05 3ixw n GLY 595 Ca 0.26 -0.43 -0.62 0.00 0.00 0.00 0.00 46.02 45.23 3ixw n GLY 595 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ixw n PHE 596 N 0.00 1.70 0.24 1.61 7.35 -0.37 0.04 117.46 128.02 3ixw n PHE 596 Ca 0.00 0.88 0.11 0.00 -0.76 0.00 0.00 57.45 57.67 3ixw n PHE 596 Cb 0.00 -2.30 0.58 0.00 0.35 0.00 0.00 39.48 38.11 3ixw n PHE 596 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3ixw h PRO 597 N 5.47 0.00 -1.01 -7.13 0.11 -1.96 -3.48 132.00 123.99 3ixw h PRO 597 Ca -0.46 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3ixw h PRO 597 Cb 1.36 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.34 3ixw h PRO 597 CO 0.91 0.19 0.27 1.19 -0.21 0.00 0.00 178.00 180.35 3ixw n PHE 598 N -3.56 1.23 0.10 0.65 3.72 0.11 -3.93 117.46 115.78 3ixw n PHE 598 Ca -0.01 -1.06 -0.22 0.00 -0.05 0.00 0.00 57.45 56.11 3ixw n PHE 598 Cb 0.34 -0.54 -0.15 0.00 -0.94 0.00 0.00 39.48 38.19 3ixw n PHE 598 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3ixw h ASP 599 N 0.42 0.68 -5.68 4.37 2.03 -1.90 -3.46 116.42 112.89 3ixw h ASP 599 Ca 0.26 -0.92 -0.32 0.00 -0.73 0.00 0.00 57.03 55.32 3ixw h ASP 599 Cb 1.73 -0.22 0.02 0.00 -0.83 0.00 0.00 39.33 40.03 3ixw h ASP 599 CO 0.45 1.56 -0.04 0.54 -1.03 0.00 0.00 179.24 180.71 3ixw n ARG 600 N -3.92 0.73 -2.02 4.15 1.74 -1.25 -4.83 116.66 111.27 3ixw n ARG 600 Ca -0.15 -2.03 -0.41 0.00 -0.77 0.00 0.00 57.85 54.48 3ixw n ARG 600 Cb 0.96 -0.16 -0.02 0.00 -1.02 0.00 0.00 32.46 32.22 3ixw n ARG 600 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ixw s LYS 601 N -3.72 4.28 -0.19 5.56 2.47 -1.26 -5.00 119.74 121.88 3ixw s LYS 601 Ca 0.40 2.32 0.00 0.00 -1.56 0.00 0.00 55.97 57.13 3ixw s LYS 601 Cb -0.03 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 33.29 3ixw s LYS 601 CO 0.25 -0.33 -0.17 0.42 0.16 0.00 0.00 175.35 175.68 3ixw s ILE 602 N -0.76 2.30 -0.96 5.43 1.01 -1.26 -4.40 121.20 122.56 3ixw s ILE 602 Ca 0.53 -0.89 0.28 0.00 0.00 0.00 0.00 60.65 60.57 3ixw s ILE 602 Cb -0.42 -2.00 0.21 0.00 0.01 0.00 0.00 42.46 40.26 3ixw s ILE 602 CO 0.52 0.49 1.83 -0.62 0.00 0.00 0.00 174.94 177.16 3ixw n GLU 603 N 4.64 0.04 -2.99 2.79 4.71 -1.26 -4.62 120.64 123.96 3ixw n GLU 603 Ca -0.20 0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.65 3ixw n GLU 603 Cb 0.50 -1.54 -0.06 0.00 -1.01 0.00 0.00 31.44 29.33 3ixw n GLU 603 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ixw s ALA 604 N -3.02 3.21 -0.10 0.62 0.00 -1.26 -5.02 121.76 116.20 3ixw s ALA 604 Ca 0.13 0.16 0.22 0.00 0.00 0.00 0.00 51.96 52.48 3ixw s ALA 604 Cb 0.18 -2.91 -0.24 0.00 0.00 0.00 0.00 23.12 20.15 3ixw s ALA 604 CO 0.56 0.23 0.65 0.54 0.00 0.00 0.00 175.76 177.74 3ixw n ARG 605 N -0.55 0.63 -4.57 0.00 5.12 -1.26 -4.51 116.66 111.52 3ixw n ARG 605 Ca 0.05 -0.11 -0.24 0.00 -1.93 0.00 0.00 57.85 55.62 3ixw n ARG 605 Cb 0.54 -1.61 -0.14 0.00 -1.16 0.00 0.00 32.46 30.09 3ixw n ARG 605 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3ixw s THR 606 N -3.47 1.54 0.63 0.55 -1.32 -1.26 -3.42 115.64 108.89 3ixw s THR 606 Ca -0.06 -1.15 0.25 0.00 -1.21 0.00 0.00 61.69 59.52 3ixw s THR 606 Cb 0.13 -1.35 0.29 0.00 -1.51 0.00 0.00 72.50 70.06 3ixw s THR 606 CO 0.88 0.16 1.72 0.00 -2.21 0.00 0.00 174.62 175.16 3ixw h ALA 607 N 4.88 1.87 -0.27 11.08 0.00 -1.61 0.94 119.26 136.15 3ixw h ALA 607 Ca -0.41 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3ixw h ALA 607 Cb 1.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ixw h ALA 607 CO 0.44 -0.69 -0.48 0.00 0.00 0.00 0.00 179.25 178.51 3ixw h ALA 608 N 1.11 0.65 -0.37 0.00 0.00 -1.94 -3.26 119.26 115.44 3ixw h ALA 608 Ca 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ixw h ALA 608 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ixw h ALA 608 CO -0.00 0.68 0.04 0.93 0.00 0.00 0.00 179.25 180.90 3ixw h GLU 609 N 0.57 0.57 0.00 0.00 5.08 -1.21 -1.72 114.58 117.86 3ixw h GLU 609 Ca 0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ixw h GLU 609 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3ixw h GLU 609 CO 0.10 0.56 0.00 0.34 -1.00 0.00 0.00 179.01 179.01 3ixw n PHE 610 N -4.30 0.00 -1.91 4.33 7.35 -1.14 -4.80 117.46 116.99 3ixw n PHE 610 Ca 0.02 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.28 3ixw n PHE 610 Cb 0.23 -0.33 -0.03 0.00 0.35 0.00 0.00 39.48 39.70 3ixw n PHE 610 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3ixw s LEU 611 N -2.66 3.89 0.42 -2.13 2.96 -0.65 -5.01 118.68 115.50 3ixw s LEU 611 Ca 0.14 1.88 -0.03 0.00 -0.22 0.00 0.00 54.13 55.90 3ixw s LEU 611 Cb 0.11 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3ixw s LEU 611 CO 0.26 -1.39 0.68 0.42 -1.32 0.00 0.00 176.35 175.00 3ixw s THR 612 N 5.79 5.00 -1.65 3.68 -4.23 -1.26 -4.99 115.64 117.98 3ixw s THR 612 Ca 0.81 -0.09 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 3ixw s THR 612 Cb -0.30 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.75 3ixw s THR 612 CO 0.33 -0.72 0.85 -2.65 -0.54 0.00 0.00 174.62 171.89 3ixw n PRO 613 N -2.04 0.08 -0.76 3.99 -0.02 -1.26 -0.49 135.00 134.50 3ixw n PRO 613 Ca -0.02 0.16 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3ixw n PRO 613 Cb 0.56 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.74 3ixw n PRO 613 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3ixw n ASN 614 N -1.18 2.75 -4.24 2.55 6.94 -1.26 -0.10 115.26 120.72 3ixw n ASN 614 Ca 0.02 -3.64 -0.15 0.00 -0.02 0.00 0.00 54.58 50.79 3ixw n ASN 614 Cb 0.02 -0.63 -0.10 0.00 -2.36 0.00 0.00 39.78 36.71 3ixw n ASN 614 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3ixw s MET 615 N -3.18 1.03 -0.30 -3.83 -1.94 0.36 -0.95 119.30 110.50 3ixw s MET 615 Ca 0.45 -1.38 -0.15 0.00 -1.71 0.00 0.00 55.69 52.90 3ixw s MET 615 Cb 0.40 -0.68 0.15 0.00 2.01 0.00 0.00 34.83 36.71 3ixw s MET 615 CO 0.02 0.10 0.93 0.20 -0.01 0.00 0.00 175.02 176.26 3ixw s GLY 616 N -2.94 -0.21 -0.11 -0.03 0.00 -0.57 -4.76 107.32 98.70 3ixw s GLY 616 Ca 0.14 2.97 -0.17 0.00 0.00 0.00 0.00 44.72 47.66 3ixw s GLY 616 CO 0.01 2.98 0.44 1.08 0.00 0.00 0.00 173.10 177.60 3ixw s LEU 617 N 2.11 4.30 -0.28 0.66 1.02 -1.25 -0.17 118.68 125.07 3ixw s LEU 617 Ca -0.05 0.78 0.01 0.00 0.02 0.00 0.00 54.13 54.89 3ixw s LEU 617 Cb -0.06 -2.63 0.08 0.00 0.02 0.00 0.00 46.19 43.60 3ixw s LEU 617 CO -0.17 0.06 0.00 -0.89 0.02 0.00 0.00 176.35 175.37 3ixw s THR 618 N 0.37 1.63 -0.13 5.49 2.01 0.91 -4.92 115.64 121.01 3ixw s THR 618 Ca 0.24 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.38 3ixw s THR 618 Cb -0.15 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 3ixw s THR 618 CO 0.10 -0.34 1.31 1.51 -0.69 0.00 0.00 174.62 176.50 3ixw s ASP 619 N 1.30 6.92 0.15 3.53 1.47 -1.26 -2.27 116.67 126.50 3ixw s ASP 619 Ca 0.01 1.80 0.08 0.00 1.18 0.00 0.00 52.55 55.62 3ixw s ASP 619 Cb -0.19 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 39.81 3ixw s ASP 619 CO -0.10 -0.75 -0.17 0.27 0.68 0.00 0.00 175.17 175.09 3ixw s ILE 620 N 3.31 1.65 0.12 2.11 -0.00 -1.16 -4.93 121.20 122.31 3ixw s ILE 620 Ca 0.58 -1.84 0.02 0.00 -0.00 0.00 0.00 60.65 59.41 3ixw s ILE 620 Cb -0.24 -1.73 -0.04 0.00 -0.00 0.00 0.00 42.46 40.45 3ixw s ILE 620 CO 0.18 -0.34 0.22 -0.54 -0.00 0.00 0.00 174.94 174.46 3ixw s LYS 621 N -2.73 3.28 -0.04 0.37 -0.14 -0.04 0.51 119.74 120.95 3ixw s LYS 621 Ca 0.13 -0.62 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 3ixw s LYS 621 Cb -0.06 -2.90 0.01 0.00 -1.68 0.00 0.00 37.83 33.20 3ixw s LYS 621 CO 0.05 0.54 -0.12 0.42 -0.76 0.00 0.00 175.35 175.48 3ixw s ILE 622 N -1.65 1.04 -0.06 2.17 1.01 -0.04 -0.05 121.20 123.61 3ixw s ILE 622 Ca 0.33 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3ixw s ILE 622 Cb -0.11 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3ixw s ILE 622 CO 0.27 0.32 -0.09 -1.59 0.00 0.00 0.00 174.94 173.85 3ixw s LYS 623 N 0.33 1.34 -0.25 2.79 -2.85 -0.39 -0.73 119.74 119.99 3ixw s LYS 623 Ca -0.07 -0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.33 3ixw s LYS 623 Cb -0.12 -1.20 -0.01 0.00 -2.06 0.00 0.00 37.83 34.45 3ixw s LYS 623 CO 0.02 -0.04 1.32 0.12 0.10 0.00 0.00 175.35 176.87 3ixw s PHE 624 N 0.87 2.67 -0.51 1.78 5.36 -0.42 -0.84 117.98 126.88 3ixw s PHE 624 Ca -0.11 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.46 3ixw s PHE 624 Cb -0.15 -3.78 -0.02 0.00 -0.34 0.00 0.00 43.02 38.73 3ixw s PHE 624 CO 0.01 -1.86 1.81 -1.58 -1.46 0.00 0.00 175.22 172.14 3ixw s HIS 625 N 4.17 1.76 -2.00 10.12 5.65 0.04 -4.46 115.29 130.57 3ixw s HIS 625 Ca 0.57 0.73 0.01 0.00 0.25 0.00 0.00 55.06 56.62 3ixw s HIS 625 Cb -0.19 -4.12 0.03 0.00 -1.18 0.00 0.00 32.58 27.12 3ixw s HIS 625 CO 0.21 -2.47 0.53 0.41 -0.65 0.00 0.00 174.74 172.77