#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 0.40 0.57 1.08 2.07 -1.97 0.15 116.25 118.54 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 0.10 -0.27 0.00 0.02 0.00 0.00 177.57 177.42 3ixw h ALA 3 N 1.89 -1.09 0.00 1.67 0.00 -1.97 -2.65 119.26 117.11 3ixw h ALA 3 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ixw h ALA 3 Cb 0.41 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ixw h ALA 3 CO 0.01 -1.03 -0.03 0.38 0.00 0.00 0.00 179.25 178.58 3ixw h ASP 4 N -0.84 0.00 0.06 0.00 2.03 -1.80 0.76 116.42 116.62 3ixw h ASP 4 Ca -0.08 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.24 3ixw h ASP 4 Cb 0.58 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.03 3ixw h ASP 4 CO 0.13 0.03 -0.51 0.50 -1.03 0.00 0.00 179.24 178.36 3ixw h LYS 5 N 0.00 -0.67 -0.47 4.15 3.64 -0.74 -0.06 116.57 122.43 3ixw h LYS 5 Ca -0.00 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3ixw h LYS 5 Cb 0.10 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 3ixw h LYS 5 CO 0.00 -0.44 0.10 1.96 -2.27 0.00 0.00 179.45 178.80 3ixw h GLN 6 N -0.69 0.23 0.00 1.90 1.08 -0.57 -2.77 115.11 114.29 3ixw h GLN 6 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ixw h GLN 6 Cb 0.73 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3ixw h GLN 6 CO -0.32 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 177.71 3ixw n ALA 7 N -2.50 2.03 -0.13 3.87 0.00 -0.08 -2.69 120.51 121.01 3ixw n ALA 7 Ca 0.05 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 3ixw n ALA 7 Cb 0.22 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.01 0.55 0.29 0.00 1.74 -0.08 -4.50 116.66 113.65 3ixw n ARG 8 Ca 0.11 0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 57.26 3ixw n ARG 8 Cb 0.05 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.86 -0.62 -0.81 0.55 4.07 -1.44 -2.56 115.31 113.64 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 0.39 0.24 -1.08 0.00 0.00 178.44 177.29 3ixw h MET 10 N -0.90 1.17 -1.01 1.13 2.86 -1.80 0.49 114.93 116.87 3ixw h MET 10 Ca -0.07 -0.17 0.23 0.00 -2.06 0.00 0.00 59.70 57.63 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 0.90 0.62 -1.35 1.06 0.00 0.00 176.91 178.27 3ixw h PRO 11 N 1.15 0.55 -0.42 -0.22 0.11 -1.77 0.23 132.00 131.64 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 0.11 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3ixw h PRO 11 CO -0.04 0.36 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.86 3ixw h LEU 12 N 0.57 0.82 0.00 2.35 3.38 -0.52 -2.62 115.31 119.28 3ixw h LEU 12 Ca 0.60 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ixw h LEU 12 Cb 1.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ixw h LEU 12 CO -0.37 0.99 0.00 0.49 0.09 0.00 0.00 178.44 179.65 3ixw n PHE 13 N -4.13 0.00 -2.37 1.13 3.01 -0.47 -4.03 117.46 110.60 3ixw n PHE 13 Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.11 3ixw n PHE 13 Cb 0.42 -0.07 -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 -2.13 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 55.37 3ixw s LYS 14 Cb 0.19 -5.29 0.00 0.00 -0.52 0.00 0.00 37.83 32.21 3ixw s LYS 14 CO 0.35 -2.72 0.00 0.72 -0.92 0.00 0.00 175.35 172.78 3ixw n HIS 15 N 10.80 0.00 0.00 3.18 8.25 -1.25 -5.02 115.22 131.18 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 -2.27 0.00 0.00 1.12 0.00 0.00 29.99 29.32 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 -1.35 0.00 -0.26 2.41 7.94 -1.24 -4.20 117.00 120.30 3ixw n LEU 16 Ca 0.00 0.90 0.08 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 44.19 3ixw n LEU 16 CO 0.00 -0.40 0.56 0.41 -1.11 0.00 0.00 177.39 176.84 3ixw n THR 17 N -2.04 -0.31 0.12 1.96 -1.04 -1.26 -1.51 114.28 110.19 3ixw n THR 17 Ca 0.00 1.68 0.08 0.00 -2.04 0.00 0.00 64.05 63.76 3ixw n THR 17 Cb 0.00 -2.40 0.41 0.00 -1.82 0.00 0.00 70.33 66.53 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 0.95 0.23 2.41 0.00 -1.26 -0.19 120.51 119.19 3ixw n ALA 18 Ca 0.15 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.81 3ixw n ALA 18 Cb 0.50 -1.14 0.56 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 -1.25 0.00 3.38 -1.53 -3.26 115.31 112.65 3ixw h LEU 19 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3ixw h LEU 19 Cb 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3ixw h LEU 19 CO 0.00 0.19 0.61 0.74 0.09 0.00 0.00 178.44 180.06 3ixw h THR 20 N 0.00 0.73 -3.63 0.22 2.02 -0.75 -3.37 112.91 108.13 3ixw h THR 20 Ca -0.00 -0.22 -0.65 0.00 0.77 0.00 0.00 66.41 66.31 3ixw h THR 20 Cb 0.37 0.04 -0.23 0.00 -1.74 0.00 0.00 68.15 66.59 3ixw h THR 20 CO 0.02 0.11 -0.63 -0.13 0.37 0.00 0.00 175.52 175.27 3ixw s ARG 21 N -5.67 3.62 0.34 6.66 0.52 -1.23 -3.09 118.95 120.10 3ixw s ARG 21 Ca -0.10 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3ixw s ARG 21 Cb 0.23 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.42 3ixw s ARG 21 CO 0.79 -0.20 0.56 0.39 0.02 0.00 0.00 175.30 176.86 3ixw n GLU 22 N 4.92 0.81 -2.85 3.54 -0.58 -0.03 -5.01 120.64 121.42 3ixw n GLU 22 Ca -0.16 -2.37 -0.41 0.00 -0.42 0.00 0.00 57.16 53.80 3ixw n GLU 22 Cb 0.51 2.52 -0.04 0.00 -0.57 0.00 0.00 31.44 33.86 3ixw n GLU 22 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ixw s LYS 23 N -2.48 4.51 -0.35 3.49 1.02 -1.26 -4.80 119.74 119.88 3ixw s LYS 23 Ca 0.22 1.19 -0.06 0.00 0.02 0.00 0.00 55.97 57.34 3ixw s LYS 23 Cb -0.02 -3.45 0.19 0.00 -0.52 0.00 0.00 37.83 34.03 3ixw s LYS 23 CO 0.16 0.01 0.98 -1.17 -0.92 0.00 0.00 175.35 174.41 3ixw s LEU 24 N 0.89 -0.54 0.26 3.17 2.96 -1.26 -5.00 118.68 119.16 3ixw s LEU 24 Ca 0.46 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3ixw s LEU 24 Cb -0.20 0.70 0.33 0.00 0.50 0.00 0.00 46.19 47.52 3ixw s LEU 24 CO 0.24 -0.05 1.93 -0.65 -1.32 0.00 0.00 176.35 176.49 3ixw h PRO 25 N 5.45 1.24 -3.35 0.98 0.11 -2.04 -3.40 132.00 130.99 3ixw h PRO 25 Ca -0.02 -0.07 -0.32 0.00 0.11 0.00 0.00 66.00 65.70 3ixw h PRO 25 Cb 1.21 -0.28 -0.36 0.00 0.11 0.00 0.00 31.00 31.68 3ixw h PRO 25 CO -0.05 0.82 -0.70 -0.51 -0.21 0.00 0.00 178.00 177.35 3ixw s LEU 26 N -10.09 0.51 0.44 2.35 1.43 -1.26 -5.04 118.68 107.03 3ixw s LEU 26 Ca -0.13 0.13 0.24 0.00 -1.03 0.00 0.00 54.13 53.35 3ixw s LEU 26 Cb 0.18 0.00 1.25 0.00 0.03 0.00 0.00 46.19 47.66 3ixw s LEU 26 CO 0.81 -0.19 1.77 -2.24 0.23 0.00 0.00 176.35 176.73 3ixw h ASP 27 N 7.87 0.30 -1.42 2.29 2.03 -1.99 -3.25 116.42 122.25 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 0.00 179.24 179.60 3ixw h GLN 28 N 0.26 0.07 -0.84 4.15 -0.00 -1.97 0.34 115.11 117.13 3ixw h GLN 28 Ca 0.59 -0.00 0.26 0.00 -0.00 0.00 0.00 58.65 59.50 3ixw h GLN 28 Cb 1.78 -0.02 -0.16 0.00 -0.00 0.00 0.00 27.48 29.08 3ixw h GLN 28 CO -0.22 0.05 0.10 0.54 -0.00 0.00 0.00 178.83 179.31 3ixw n ARG 29 N -4.32 -0.06 -3.30 0.06 5.12 -1.23 -2.04 116.66 110.88 3ixw n ARG 29 Ca 0.34 1.24 -0.33 0.00 -1.93 0.00 0.00 57.85 57.17 3ixw n ARG 29 Cb 1.46 -2.02 -0.05 0.00 -1.16 0.00 0.00 32.46 30.69 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 -5.15 4.71 -0.29 0.55 9.92 0.11 -4.84 116.55 121.56 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 0.74 -0.90 0.50 0.00 -0.64 0.00 0.00 41.12 40.81 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 0.72 120.64 121.06 3ixw n GLU 31 Ca 0.28 1.12 -0.09 0.00 -0.02 0.00 0.00 57.16 58.45 3ixw n GLU 31 Cb 0.38 -2.05 -0.08 0.00 -0.02 0.00 0.00 31.44 29.67 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 -0.06 -0.57 3.49 3.08 -1.89 -3.14 114.38 115.29 3ixw h ARG 32 Ca 0.71 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.76 3ixw h ARG 32 Cb 1.94 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.00 3ixw h ARG 32 CO -0.59 -0.04 0.00 1.28 -1.07 0.00 0.00 179.97 179.54 3ixw n LEU 33 N -4.82 2.25 0.00 3.04 4.32 0.22 -4.78 117.00 117.23 3ixw n LEU 33 Ca 0.01 -1.13 0.00 0.00 -0.02 0.00 0.00 56.01 54.86 3ixw n LEU 33 Cb 0.22 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 3ixw n LEU 33 CO -0.10 0.40 0.00 2.29 -1.22 0.00 0.00 177.39 178.76 3ixw n LYS 34 N 0.31 0.00 -0.26 3.23 2.85 -1.11 -2.47 118.16 120.70 3ixw n LYS 34 Ca 0.11 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.45 3ixw n LYS 34 Cb 0.44 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.05 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 2.49 4.00 2.58 0.00 -1.26 -4.94 105.19 107.47 3ixw n GLY 35 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.03 2.65 0.00 1.61 0.11 -1.03 -4.79 120.40 117.92 3ixw s VAL 36 Ca 0.36 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 3ixw s VAL 36 Cb 0.19 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 3ixw s VAL 36 CO 0.25 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 3ixw n GLY 37 N -2.20 1.03 0.02 6.54 0.00 -1.26 -5.02 105.19 104.30 3ixw n GLY 37 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 0.01 -3.87 -0.61 -5.35 -1.26 -3.87 119.36 104.42 3ixw n ILE 38 Ca 0.00 -0.01 -0.30 0.00 -0.27 0.00 0.00 62.75 62.17 3ixw n ILE 38 Cb 0.00 -0.07 -0.13 0.00 -1.74 0.00 0.00 39.64 37.70 3ixw n ILE 38 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3ixw s LEU 39 N -1.15 3.82 -0.38 7.28 2.96 -1.26 -5.10 118.68 124.84 3ixw s LEU 39 Ca 0.08 -2.97 -0.29 0.00 -0.22 0.00 0.00 54.13 50.73 3ixw s LEU 39 Cb 0.04 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.31 3ixw s LEU 39 CO 0.06 -0.23 1.16 -2.84 -1.32 0.00 0.00 176.35 173.18 3ixw s PRO 40 N -0.19 3.89 0.00 0.98 0.02 -1.25 -4.55 135.00 133.90 3ixw s PRO 40 Ca 0.18 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.12 3ixw s PRO 40 Cb -0.23 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.45 3ixw s PRO 40 CO -0.02 -1.15 0.00 2.89 -0.33 0.00 0.00 177.00 178.39 3ixw n ARG 41 N 7.37 0.00 -0.70 5.54 1.85 -1.26 -3.02 116.66 126.43 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 2.46 3.41 2.89 0.00 -1.26 -4.64 105.19 108.06 3ixw n GLY 42 Ca 0.00 -0.84 -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 1.77 4.70 0.00 2.61 -4.23 -1.17 -5.05 115.64 114.27 3ixw s THR 43 Ca 0.46 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 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 -1.15 0.41 0.18 -0.54 0.00 0.00 174.62 173.52 3ixw n LEU 44 N 6.66 1.16 -1.75 4.79 4.32 -1.26 -4.84 117.00 126.08 3ixw n LEU 44 Ca -0.07 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 3ixw n LEU 44 Cb 0.44 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 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 1.10 -2.88 -3.33 -1.77 7.35 -1.26 -5.03 117.46 111.64 3ixw n PHE 45 Ca 0.00 1.72 -0.40 0.00 -0.76 0.00 0.00 57.45 58.00 3ixw n PHE 45 Cb 0.16 -3.08 -0.09 0.00 0.35 0.00 0.00 39.48 36.82 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 -3.50 0.00 -2.02 0.00 3.72 -1.26 -4.71 117.46 109.68 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 -2.18 1.94 0.32 1.38 2.46 -0.86 -4.88 115.29 113.47 3ixw s HIS 49 Ca 0.20 0.44 0.08 0.00 0.47 0.00 0.00 55.06 56.25 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 -3.32 1.66 0.00 -2.47 0.00 0.00 174.74 171.06 3ixw h ALA 50 N 11.01 1.62 -0.36 1.58 0.00 -1.90 -0.50 119.26 130.72 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 -0.51 0.12 0.07 0.00 0.00 0.00 179.25 179.91 3ixw h ARG 51 N 0.27 0.51 0.00 0.00 0.11 -1.96 -2.90 114.38 110.40 3ixw h ARG 51 Ca 0.64 -0.07 -0.09 0.00 0.10 0.00 0.00 59.98 60.57 3ixw h ARG 51 Cb 1.39 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 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 0.25 115.15 122.27 3ixw h HIS 52 Ca 0.12 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 3ixw h HIS 52 Cb 0.14 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 -0.49 -0.07 0.86 0.00 0.00 177.93 178.66 3ixw h LEU 53 N 0.00 0.73 -0.06 2.43 3.38 -1.68 -0.46 115.31 119.65 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 -0.03 0.00 0.09 0.00 0.00 178.44 179.74 3ixw h ALA 54 N 0.56 0.02 -0.38 1.53 0.00 -1.24 0.35 119.26 120.10 3ixw h ALA 54 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ixw h ALA 54 Cb 1.11 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3ixw h ALA 54 CO 0.11 -0.51 -0.03 0.93 0.00 0.00 0.00 179.25 179.75 3ixw h GLU 55 N -0.02 0.07 0.00 0.00 5.08 -0.59 -0.17 114.58 118.94 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 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ixw h GLU 55 CO -0.08 0.04 -0.06 0.00 -1.00 0.00 0.00 179.01 177.91 3ixw h ALA 56 N 1.35 1.57 0.00 3.43 0.00 -0.67 -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 -0.34 0.08 -0.45 0.00 0.00 0.00 0.00 179.25 178.54 3ixw h THR 57 N 0.00 0.82 -0.29 0.00 1.03 0.16 0.70 112.91 115.33 3ixw h THR 57 Ca -0.00 -1.98 0.06 0.00 -0.01 0.00 0.00 66.41 64.48 3ixw h THR 57 Cb 0.14 2.28 -0.06 0.00 -1.07 0.00 0.00 68.15 69.43 3ixw h THR 57 CO 0.01 0.44 -0.14 -0.08 -0.01 0.00 0.00 175.52 175.74 3ixw h GLU 58 N 0.00 -0.09 -0.37 0.00 4.57 -1.06 -1.03 114.58 116.60 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 1.24 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 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 -0.10 0.63 -0.25 1.64 4.07 -0.94 -1.04 115.31 119.32 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 0.32 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 3ixw h LEU 59 CO -0.35 0.78 0.00 1.88 -1.08 0.00 0.00 178.44 179.68 3ixw h TYR 60 N 0.59 0.49 -0.29 1.13 0.05 0.49 0.19 116.97 119.62 3ixw h TYR 60 Ca 0.10 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 3ixw h TYR 60 Cb 0.55 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3ixw h TYR 60 CO 0.02 0.60 -0.30 -0.39 -1.05 0.00 0.00 178.16 177.05 3ixw h VAL 61 N 0.23 1.28 0.87 -2.88 -1.51 -1.03 -1.96 116.25 111.26 3ixw h VAL 61 Ca 0.07 -1.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.09 3ixw h VAL 61 Cb 0.41 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3ixw h VAL 61 CO 0.01 0.45 -0.48 0.00 -1.23 0.00 0.00 177.57 176.33 3ixw h ALA 62 N 1.15 -1.31 -0.45 5.19 0.00 -1.20 -3.18 119.26 119.46 3ixw h ALA 62 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ixw h ALA 62 Cb 0.78 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3ixw h ALA 62 CO 0.06 -1.24 0.24 -0.07 0.00 0.00 0.00 179.25 178.25 3ixw h LEU 63 N -1.24 0.54 -1.54 0.00 4.07 -0.37 -0.94 115.31 115.83 3ixw h LEU 63 Ca -0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 3ixw h LEU 63 Cb 0.97 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 3ixw h LEU 63 CO 0.16 0.44 0.02 1.88 -1.08 0.00 0.00 178.44 179.86 3ixw h TYR 64 N 0.62 0.32 0.00 1.13 0.05 -1.46 -3.35 116.97 114.27 3ixw h TYR 64 Ca 0.16 -0.01 -0.69 0.00 0.05 0.00 0.00 58.73 58.24 3ixw h TYR 64 Cb 0.02 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3ixw h TYR 64 CO 0.00 0.31 3.30 0.41 -1.05 0.00 0.00 178.16 181.14 3ixw n GLY 65 N -1.16 4.25 2.91 3.88 0.00 -0.36 -4.93 105.19 109.79 3ixw n GLY 65 Ca 0.00 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 3ixw n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixw n ALA 66 N 5.39 -0.09 -0.50 4.61 0.00 -1.26 -5.04 120.51 123.61 3ixw n ALA 66 Ca 0.60 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3ixw n ALA 66 Cb 0.34 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.52 0.00 -2.29 0.00 4.81 -1.26 -5.05 118.16 111.85 3ixw n LYS 67 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.53 3ixw n LYS 67 Cb 0.44 -0.23 -0.01 0.00 0.02 0.00 0.00 35.03 35.25 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 -1.98 -0.15 0.07 3.14 5.75 -1.26 -4.98 116.55 117.14 3ixw n ASP 68 Ca 0.00 -1.36 0.15 0.00 -0.01 0.00 0.00 54.79 53.57 3ixw n ASP 68 Cb 0.00 0.32 0.65 0.00 -1.03 0.00 0.00 41.12 41.06 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 0.06 0.13 2.11 3.57 -1.99 -1.36 116.94 120.64 3ixw h PHE 69 Ca -0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3ixw h PHE 69 Cb 0.20 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.93 3ixw h PHE 69 CO 0.00 0.03 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.14 3ixw h ASN 70 N 0.05 -0.14 -0.48 0.41 2.35 -1.99 -3.26 115.58 112.52 3ixw h ASN 70 Ca 0.18 -0.25 0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3ixw h ASN 70 Cb 0.65 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3ixw h ASN 70 CO -0.01 0.43 0.32 -0.78 -1.65 0.00 0.00 177.43 175.74 3ixw h ASP 71 N -0.99 0.32 -0.46 5.81 3.58 -1.88 0.52 116.42 123.33 3ixw h ASP 71 Ca -0.02 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.52 3ixw h ASP 71 Cb 0.38 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.28 3ixw h ASP 71 CO 0.03 0.21 -0.06 0.15 -2.88 0.00 0.00 179.24 176.68 3ixw h PHE 72 N 0.36 -0.14 -0.55 0.28 3.57 -1.40 -1.79 116.94 117.26 3ixw h PHE 72 Ca 0.21 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3ixw h PHE 72 Cb 0.37 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3ixw h PHE 72 CO -0.00 -0.15 0.07 0.82 -2.23 0.00 0.00 178.31 176.81 3ixw h ILE 73 N 0.05 1.26 -0.20 1.41 1.08 -0.96 -2.21 117.51 117.92 3ixw h ILE 73 Ca 0.22 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 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 -0.43 0.36 0.13 -0.74 -0.69 0.00 0.00 178.15 176.78 3ixw h HIS 74 N 0.81 0.26 -0.73 1.37 2.76 -0.90 0.14 115.15 118.86 3ixw h HIS 74 Ca 0.16 0.00 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 0.27 1.25 -1.30 0.00 0.00 177.93 178.36 3ixw h LEU 75 N 0.27 0.24 -1.29 0.26 5.85 -1.26 -0.75 115.31 118.63 3ixw h LEU 75 Ca 0.07 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3ixw h LEU 75 Cb -0.02 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 -0.19 0.26 0.00 5.08 0.52 -3.36 114.58 116.89 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 0.05 -0.13 0.37 -1.00 0.00 0.00 179.01 178.35 3ixw h GLN 78 N -0.41 -0.34 -0.49 2.33 4.15 -0.63 -3.28 115.11 116.43 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 0.35 0.00 -1.93 0.00 0.00 178.83 177.06 3ixw h ALA 79 N -1.38 2.44 -0.41 3.38 0.00 -1.27 0.71 119.26 122.73 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 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ixw h ALA 79 CO 0.06 -0.58 0.29 -0.09 0.00 0.00 0.00 179.25 178.92 3ixw h ARG 80 N 0.02 0.07 0.00 0.00 2.43 -1.71 -3.01 114.38 112.18 3ixw h ARG 80 Ca 0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3ixw h ARG 80 Cb 0.91 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3ixw h ARG 80 CO -0.01 0.05 0.05 1.96 -1.51 0.00 0.00 179.97 180.51 3ixw h GLN 81 N 0.08 0.00 0.00 0.20 4.20 -0.95 -3.09 115.11 115.54 3ixw h GLN 81 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3ixw h GLN 81 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3ixw h GLN 81 CO -0.02 0.00 -0.92 1.51 -0.67 0.00 0.00 178.83 178.73 3ixw n ILE 82 N -2.47 0.00 -2.12 2.54 3.06 -1.14 -0.85 119.36 118.37 3ixw n ILE 82 Ca -0.02 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.95 3ixw n ILE 82 Cb 0.09 -0.60 0.04 0.00 0.54 0.00 0.00 39.64 39.71 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 -1.91 3.66 -0.67 9.51 -7.23 -1.17 -4.27 120.40 118.33 3ixw s VAL 83 Ca 0.00 0.29 -0.26 0.00 -1.81 0.00 0.00 61.98 60.20 3ixw s VAL 83 Cb 0.00 -3.50 -0.07 0.00 0.56 0.00 0.00 36.38 33.37 3ixw s VAL 83 CO 0.00 -0.59 2.20 0.54 -0.31 0.00 0.00 175.10 176.94 3ixw s ASN 84 N -4.32 4.61 0.45 4.85 2.20 -1.26 -4.82 114.94 116.64 3ixw s ASN 84 Ca 0.56 0.33 0.29 0.00 -0.94 0.00 0.00 52.86 53.10 3ixw s ASN 84 Cb -0.11 -2.53 1.38 0.00 -2.00 0.00 0.00 41.25 37.99 3ixw s ASN 84 CO 0.49 -3.00 1.67 1.05 -2.94 0.00 0.00 177.10 174.37 3ixw h GLU 85 N 15.29 0.14 -0.93 3.55 9.09 -1.91 0.27 114.58 140.09 3ixw h GLU 85 Ca -0.12 -0.01 0.11 0.00 0.05 0.00 0.00 59.36 59.39 3ixw h GLU 85 Cb 1.13 -0.03 -0.08 0.00 -1.65 0.00 0.00 28.75 28.12 3ixw h GLU 85 CO 1.14 0.09 0.56 0.78 0.05 0.00 0.00 179.01 181.63 3ixw h GLY 86 N 0.14 1.50 0.82 1.06 0.00 -2.00 0.15 103.07 104.74 3ixw h GLY 86 Ca 0.75 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.59 3ixw h GLY 86 CO -0.33 0.13 -0.39 1.98 0.00 0.00 0.00 176.54 177.93 3ixw h MET 87 N 0.89 0.47 -0.04 4.80 -1.53 -0.86 -2.36 114.93 116.30 3ixw h MET 87 Ca 0.46 -0.35 0.02 0.00 -3.44 0.00 0.00 59.70 56.39 3ixw h MET 87 Cb 0.47 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.56 3ixw h MET 87 CO -0.27 0.97 -0.09 0.35 0.14 0.00 0.00 176.91 178.02 3ixw h PHE 88 N 0.06 -0.22 -0.67 1.39 3.57 -0.92 0.14 116.94 120.29 3ixw h PHE 88 Ca -0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3ixw h PHE 88 Cb 1.02 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 3ixw h PHE 88 CO 0.11 -0.14 0.44 -0.24 -2.23 0.00 0.00 178.31 176.26 3ixw h VAL 89 N -0.14 1.14 -0.60 1.41 3.04 -0.82 0.99 116.25 121.28 3ixw h VAL 89 Ca 0.05 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 3ixw h VAL 89 Cb 0.20 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 29.65 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 0.87 0.88 -0.00 3.17 3.20 -0.79 0.12 116.97 124.42 3ixw h TYR 90 Ca 0.25 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3ixw h TYR 90 Cb -0.05 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 37.96 3ixw h TYR 90 CO -0.00 0.68 -0.31 0.00 -1.64 0.00 0.00 178.16 176.89 3ixw h ALA 91 N 1.40 0.04 -0.12 1.82 0.00 -0.01 -1.48 119.26 120.91 3ixw h ALA 91 Ca 0.21 -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 0.13 -0.25 -0.39 0.00 0.00 0.00 179.25 178.72 3ixw h VAL 92 N -0.42 1.23 0.00 0.00 -1.51 -0.74 -0.22 116.25 114.59 3ixw h VAL 92 Ca -0.04 -1.10 -0.20 0.00 -1.23 0.00 0.00 66.70 64.14 3ixw h VAL 92 Cb 1.05 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 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 0.20 0.28 -0.05 4.19 0.87 -0.79 0.39 113.55 118.64 3ixw h SER 93 Ca 0.03 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 3ixw h SER 93 Cb 0.56 -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 0.00 176.83 177.69 3ixw h VAL 94 N 0.12 1.26 0.27 2.23 2.07 -0.91 -2.74 116.25 118.56 3ixw h VAL 94 Ca -0.05 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 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 -0.13 0.00 0.02 0.00 0.00 177.57 178.00 3ixw h ALA 95 N 1.31 -0.37 -0.30 1.67 0.00 -0.96 -3.19 119.26 117.44 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 0.67 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ixw h ALA 95 CO 0.05 -0.53 0.00 1.55 0.00 0.00 0.00 179.25 180.32 3ixw n VAL 96 N -5.11 0.72 0.00 0.00 3.14 0.14 -0.01 118.33 117.22 3ixw n VAL 96 Ca -0.09 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.59 3ixw n VAL 96 Cb 0.25 -0.02 -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 0.38 2.43 0.00 6.55 4.77 -1.04 -4.82 117.00 125.28 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 0.19 1.41 -1.33 0.00 0.00 177.39 178.56 3ixw n HIS 98 N -3.43 0.00 -3.87 -1.77 8.25 0.99 -5.01 115.22 110.38 3ixw n HIS 98 Ca -0.30 -0.05 -0.36 0.00 -0.26 0.00 0.00 57.72 56.76 3ixw n HIS 98 Cb 1.05 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.10 3.49 0.00 -0.41 1.04 -0.77 -4.98 118.95 117.22 3ixw s ARG 99 Ca 0.00 -0.57 0.03 0.00 -1.04 0.00 0.00 55.73 54.15 3ixw s ARG 99 Cb 0.00 -3.12 0.18 0.00 -2.04 0.00 0.00 34.95 29.96 3ixw s ARG 99 CO 0.00 -0.18 0.55 -1.91 -0.04 0.00 0.00 175.30 173.72 3ixw n GLU 100 N 4.80 0.35 -0.53 3.89 4.07 -1.26 -3.79 120.64 128.16 3ixw n GLU 100 Ca -0.17 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 56.98 3ixw n GLU 100 Cb 0.51 -1.13 0.26 0.00 -0.06 0.00 0.00 31.44 31.02 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 -0.63 3.86 0.00 4.31 5.75 -1.26 -4.73 116.55 123.84 3ixw n ASP 101 Ca 0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 3ixw n ASP 101 Cb 0.01 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 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 -0.28 3.09 -0.33 0.00 2.20 -1.26 -2.18 119.74 120.97 3ixw s LYS 103 Ca 0.00 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3ixw s LYS 103 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 3ixw s LYS 103 CO 0.00 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 3ixw n GLY 104 N 0.31 0.58 3.83 5.54 0.00 -1.26 -4.97 105.19 109.22 3ixw n GLY 104 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.89 4.65 0.00 -0.61 -1.16 -0.93 -4.92 121.20 116.34 3ixw s ILE 105 Ca 0.00 1.11 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 2.16 0.03 4.00 2.01 -1.26 -5.02 115.64 115.92 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 70.53 3ixw s THR 106 CO 0.20 0.50 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 0.11 1.69 -2.65 0.00 0.00 0.00 175.10 174.25 3ixw n PRO 108 N 4.11 1.68 -1.63 2.72 -0.02 -1.26 -4.84 135.00 135.76 3ixw n PRO 108 Ca 0.09 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 3ixw n PRO 108 Cb 0.47 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.97 2.44 0.14 0.52 -0.02 -1.26 -4.86 135.00 136.94 3ixw n PRO 109 Ca 0.22 0.81 0.18 0.00 -2.02 0.00 0.00 63.50 62.69 3ixw n PRO 109 Cb 0.22 -3.13 0.78 0.00 -0.02 0.00 0.00 33.50 31.35 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 6.37 0.50 -0.05 4.25 3.07 -1.95 0.17 117.51 129.88 3ixw h ILE 110 Ca -0.46 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 65.77 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 0.29 0.01 0.16 7.50 -1.90 0.32 115.11 121.49 3ixw h GLN 111 Ca 0.14 -0.25 -0.32 0.00 0.50 0.00 0.00 58.65 58.72 3ixw h GLN 111 Cb 0.71 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.25 3ixw h GLN 111 CO -0.00 0.91 -1.95 0.39 -1.50 0.00 0.00 178.83 176.68 3ixw n GLU 112 N -3.79 0.66 0.06 1.46 1.02 -0.10 -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 1.67 -2.58 2.62 -1.51 -0.82 0.88 116.25 116.51 3ixw h VAL 113 Ca -0.38 -3.37 -0.60 0.00 -1.23 0.00 0.00 66.70 61.11 3ixw h VAL 113 Cb 2.08 2.83 -0.40 0.00 -2.13 0.00 0.00 31.29 33.67 3ixw h VAL 113 CO 0.06 0.95 -0.81 0.49 -1.23 0.00 0.00 177.57 177.04 3ixw n PHE 114 N -3.34 1.10 0.29 5.19 3.72 0.10 -4.42 117.46 120.10 3ixw n PHE 114 Ca -0.00 -3.78 0.18 0.00 -0.05 0.00 0.00 57.45 53.79 3ixw n PHE 114 Cb 0.94 -0.20 0.75 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 5.24 0.00 -0.77 -1.08 0.13 -1.61 -3.32 132.00 130.58 3ixw h PRO 115 Ca 0.20 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.35 3ixw h PRO 115 Cb 0.83 0.00 -0.04 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 0.84 0.01 1.44 2.03 -1.87 0.08 116.42 118.94 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 0.59 0.00 -2.11 -1.03 0.00 0.00 179.24 176.69 3ixw n ARG 117 N -4.59 0.64 -0.05 4.15 1.85 -1.25 -3.69 116.66 113.71 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 0.06 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.92 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 -1.01 0.00 -3.99 2.89 3.01 -0.04 -4.67 117.46 113.66 3ixw n PHE 118 Ca 0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.38 3ixw n PHE 118 Cb 0.07 -0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.21 2.61 0.14 -4.37 -7.23 -0.86 -4.96 120.40 103.54 3ixw s VAL 119 Ca -0.13 -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 0.29 4.82 0.02 -1.26 -4.53 135.00 134.54 3ixw s PRO 120 Ca 0.42 2.58 0.09 0.00 0.02 0.00 0.00 61.00 64.11 3ixw s PRO 120 Cb 0.00 -3.46 0.90 0.00 0.02 0.00 0.00 34.50 31.96 3ixw s PRO 120 CO 0.24 -0.81 1.37 0.00 -0.33 0.00 0.00 177.00 177.47 3ixw n ALA 121 N 5.23 0.65 -0.00 -1.55 0.00 0.49 -0.57 120.51 124.76 3ixw n ALA 121 Ca 0.17 0.91 -0.10 0.00 0.00 0.00 0.00 53.44 54.42 3ixw n ALA 121 Cb 0.38 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.54 114.58 116.45 3ixw h GLU 122 Ca 0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 3ixw h GLU 122 Cb 1.49 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 3ixw h GLU 122 CO -0.75 -0.05 0.00 -2.37 -1.16 0.00 0.00 179.01 174.69 3ixw n THR 123 N -5.21 0.62 0.02 1.13 5.66 0.27 0.30 114.28 117.07 3ixw n THR 123 Ca -0.04 0.02 -0.11 0.00 -3.05 0.00 0.00 64.05 60.87 3ixw n THR 123 Cb 0.13 -0.81 -0.08 0.00 -1.55 0.00 0.00 70.33 68.02 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 1.00 -0.93 1.09 2.04 -1.16 -3.16 117.51 116.39 3ixw h ILE 124 Ca 0.00 -1.32 0.11 0.00 1.00 0.00 0.00 64.86 64.65 3ixw h ILE 124 Cb 0.50 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 3ixw h ILE 124 CO 0.00 0.28 0.60 -1.13 0.00 0.00 0.00 178.15 177.89 3ixw h ASN 125 N -0.86 0.83 0.07 1.72 -0.73 -0.53 -1.46 115.58 114.62 3ixw h ASN 125 Ca -0.01 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 3ixw h ASN 125 Cb 0.56 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.02 3ixw h ASN 125 CO 0.02 0.46 -0.03 0.03 -0.37 0.00 0.00 177.43 177.54 3ixw h ARG 126 N 0.90 -0.09 -0.21 6.67 3.08 -0.29 0.16 114.38 124.60 3ixw h ARG 126 Ca 0.45 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.53 3ixw h ARG 126 Cb 0.48 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3ixw h ARG 126 CO -0.21 0.40 0.04 0.00 -1.07 0.00 0.00 179.97 179.13 3ixw h ALA 127 N 0.22 0.21 -0.39 0.04 0.00 -1.47 0.45 119.26 118.32 3ixw h ALA 127 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3ixw h ALA 127 Cb 0.53 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 3ixw h ALA 127 CO 0.02 -0.39 -0.47 -0.91 0.00 0.00 0.00 179.25 177.49 3ixw h ASN 128 N 0.12 -1.57 0.22 0.00 4.21 -1.34 -1.93 115.58 115.29 3ixw h ASN 128 Ca 0.09 0.22 -0.04 0.00 1.21 0.00 0.00 56.30 57.79 3ixw h ASN 128 Cb 0.09 0.67 -0.01 0.00 -1.12 0.00 0.00 38.32 37.95 3ixw h ASN 128 CO -0.13 -0.39 -0.20 0.50 -1.29 0.00 0.00 177.43 175.93 3ixw h LYS 129 N -0.37 0.00 -0.08 0.81 3.64 0.51 -2.19 116.57 118.89 3ixw h LYS 129 Ca 0.11 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3ixw h LYS 129 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3ixw h LYS 129 CO -0.57 0.20 -0.65 0.93 -2.27 0.00 0.00 179.45 177.09 3ixw h GLU 130 N 0.00 0.32 -0.46 1.90 5.08 0.44 0.44 114.58 122.30 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 0.96 119.26 125.28 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 18.78 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 -3.29 113.55 115.50 3ixw h SER 132 Ca 0.15 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.24 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 -1.18 0.78 -0.87 0.00 0.00 176.83 175.73 3ixw h ASN 133 N 0.00 0.08 -3.06 4.97 -0.26 0.14 -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 0.83 -0.03 -0.40 0.00 -1.06 0.00 0.00 38.32 37.67 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 -5.06 115.29 112.88 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 -1.43 -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 2.27 0.16 8.40 0.02 -1.24 -4.66 135.00 140.81 3ixw s PRO 135 Ca 0.17 -1.04 -0.03 0.00 0.02 0.00 0.00 61.00 60.11 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 -4.25 0.14 0.34 -0.33 0.00 0.00 177.00 172.87 3ixw s ASP 136 N 6.84 0.19 0.00 2.53 2.15 -1.26 -5.05 116.67 122.07 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 -0.01 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 -3.31 117.38 115.54 3ixw n GLN 137 Ca -0.04 -0.02 -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 -0.97 3.69 6.02 -1.26 -1.65 117.38 124.02 3ixw n GLN 138 Ca 0.12 0.77 -0.31 0.00 -0.01 0.00 0.00 57.00 57.56 3ixw n GLN 138 Cb 0.28 -2.44 0.13 0.00 1.02 0.00 0.00 30.24 29.22 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 3.59 -0.01 1.08 0.01 -1.26 -4.36 113.70 113.06 3ixw s SER 139 Ca 0.67 2.09 0.05 0.00 1.31 0.00 0.00 55.95 60.08 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 -2.65 -0.16 -0.63 0.41 0.00 0.00 173.24 170.70 3ixw s ILE 140 N -2.65 1.29 -0.06 1.44 1.01 0.02 -4.96 121.20 117.30 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 41.19 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 -0.37 0.86 -0.04 2.92 0.11 -1.26 0.47 120.40 123.09 3ixw s VAL 141 Ca 0.06 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 3ixw s VAL 141 Cb -0.06 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 3ixw s VAL 141 CO -0.01 0.30 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.17 3ixw s VAL 142 N 0.78 1.67 -0.45 2.04 1.01 0.45 -4.93 120.40 120.97 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 0.03 0.00 0.00 0.00 0.00 36.38 34.85 3ixw s VAL 142 CO 0.02 0.47 0.86 -0.70 0.00 0.00 0.00 175.10 175.76 3ixw s GLU 143 N -0.20 3.51 0.55 2.72 2.12 -1.26 0.04 118.70 126.18 3ixw s GLU 143 Ca 0.00 0.09 0.22 0.00 0.36 0.00 0.00 54.97 55.64 3ixw s GLU 143 Cb -0.11 -3.92 1.51 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 0.00 175.26 175.78 3ixw h ALA 144 N 8.98 1.78 -0.79 6.30 0.00 -0.96 -3.35 119.26 131.23 3ixw h ALA 144 Ca -0.24 -0.00 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 18.73 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 -4.23 -0.05 -1.02 0.00 4.07 -1.26 -4.91 120.64 113.24 3ixw n GLU 145 Ca -0.03 1.12 0.14 0.00 -0.06 0.00 0.00 57.16 58.33 3ixw n GLU 145 Cb 0.09 -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 -4.92 -2.04 -3.68 5.31 2.13 -1.26 -4.99 120.64 111.20 3ixw n GLU 146 Ca 0.25 1.35 -0.09 0.00 0.66 0.00 0.00 57.16 59.33 3ixw n GLU 146 Cb 0.84 -2.49 -0.10 0.00 0.27 0.00 0.00 31.44 29.96 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 -1.72 -0.20 -0.13 6.31 2.01 -1.26 -5.16 115.64 115.49 3ixw s THR 147 Ca 0.00 0.09 -0.32 0.00 0.31 0.00 0.00 61.69 61.77 3ixw s THR 147 Cb 0.00 -0.70 0.13 0.00 0.01 0.00 0.00 72.50 71.94 3ixw s THR 147 CO 0.00 0.04 1.08 -0.83 -0.69 0.00 0.00 174.62 174.22 3ixw s GLY 148 N 1.77 -0.32 -0.59 4.40 0.00 -1.26 -5.12 107.32 106.20 3ixw s GLY 148 Ca -0.08 1.55 -0.27 0.00 0.00 0.00 0.00 44.72 45.92 3ixw s GLY 148 CO -0.14 0.58 1.59 0.21 0.00 0.00 0.00 173.10 175.34 3ixw s ASN 149 N -2.05 5.79 -1.02 1.64 2.47 -1.26 -4.93 114.94 115.58 3ixw s ASN 149 Ca 0.06 0.28 -0.24 0.00 0.42 0.00 0.00 52.86 53.39 3ixw s ASN 149 Cb -0.01 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 3ixw s ASN 149 CO -0.05 -1.98 1.90 -0.63 -3.72 0.00 0.00 177.10 172.62 3ixw s ILE 150 N 7.20 3.55 0.12 -5.21 1.01 -1.26 -4.72 121.20 121.89 3ixw s ILE 150 Ca 0.58 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3ixw s ILE 150 Cb -0.12 -4.32 -0.19 0.00 0.01 0.00 0.00 42.46 37.84 3ixw s ILE 150 CO 0.23 -1.08 1.28 -0.07 0.00 0.00 0.00 174.94 175.30 3ixw h LEU 151 N 17.22 0.63 -9.44 2.97 -0.00 -2.07 -3.47 115.31 121.16 3ixw h LEU 151 Ca 0.16 -0.50 -0.54 0.00 -0.00 0.00 0.00 57.88 57.00 3ixw h LEU 151 Cb 0.98 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.41 3ixw h LEU 151 CO 1.24 1.30 0.27 -0.62 -0.00 0.00 0.00 178.44 180.63 3ixw s ASP 152 N -7.13 7.28 0.23 -0.43 2.15 -1.26 -4.98 116.67 112.53 3ixw s ASP 152 Ca -0.07 1.54 -0.07 0.00 0.43 0.00 0.00 52.55 54.38 3ixw s ASP 152 Cb 0.08 -2.52 0.21 0.00 -0.30 0.00 0.00 42.92 40.40 3ixw s ASP 152 CO 0.88 -0.16 1.87 -0.65 -0.17 0.00 0.00 175.17 176.94 3ixw h PRO 153 N 6.46 1.25 0.00 4.34 0.11 -2.03 -3.34 132.00 138.79 3ixw h PRO 153 Ca -0.42 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3ixw h PRO 153 Cb 1.21 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3ixw h PRO 153 CO 0.74 0.89 -0.37 1.49 -0.21 0.00 0.00 178.00 180.53 3ixw h GLU 154 N 1.26 0.00 -0.79 1.05 4.57 -2.02 -2.66 114.58 115.99 3ixw h GLU 154 Ca 0.32 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.73 3ixw h GLU 154 Cb -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3ixw h GLU 154 CO -0.06 0.37 0.71 -0.92 -1.18 0.00 0.00 179.01 177.94 3ixw h TYR 155 N 0.00 0.00 -0.27 0.92 3.20 -2.01 0.68 116.97 119.50 3ixw h TYR 155 Ca -0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3ixw h TYR 155 Cb 0.67 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 3ixw h TYR 155 CO 0.00 0.00 -0.38 0.87 -1.64 0.00 0.00 178.16 177.01 3ixw h LYS 156 N 0.00 -0.36 0.00 1.82 1.79 -1.72 -2.81 116.57 115.29 3ixw h LYS 156 Ca 0.37 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3ixw h LYS 156 Cb 1.79 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 3ixw h LYS 156 CO -0.00 -0.24 0.00 1.28 -1.08 0.00 0.00 179.45 179.41 3ixw n LEU 157 N -5.42 0.00 0.00 2.94 4.32 0.23 -2.54 117.00 116.53 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 0.57 0.00 -1.62 0.00 0.00 43.42 42.71 3ixw n LEU 157 CO 0.09 0.00 0.78 -1.20 -1.22 0.00 0.00 177.39 175.84 3ixw n SER 158 N -0.92 0.00 -0.30 -1.43 7.64 -1.06 -1.63 113.62 115.92 3ixw n SER 158 Ca 0.10 -0.52 -0.05 0.00 1.01 0.00 0.00 58.87 59.40 3ixw n SER 158 Cb 0.05 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.18 0.00 1.43 -0.00 -1.73 -3.37 116.97 114.49 3ixw h TYR 159 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 58.73 58.60 3ixw h TYR 159 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 36.73 36.38 3ixw h TYR 159 CO 0.00 0.85 -0.91 0.34 -0.00 0.00 0.00 178.16 178.44 3ixw n PHE 160 N -4.34 0.65 -0.32 0.10 7.35 -0.65 -4.36 117.46 115.90 3ixw n PHE 160 Ca 0.08 0.28 -0.00 0.00 -0.76 0.00 0.00 57.45 57.05 3ixw n PHE 160 Cb 0.14 -0.78 0.13 0.00 0.35 0.00 0.00 39.48 39.31 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 1.03 -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 0.84 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ixw h ARG 161 CO -0.07 0.68 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 3ixw n GLU 162 N -4.56 2.44 -2.43 0.04 1.02 -1.26 -3.76 120.64 112.13 3ixw n GLU 162 Ca 0.12 -2.14 -0.33 0.00 -0.02 0.00 0.00 57.16 54.78 3ixw n GLU 162 Cb 0.12 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.99 6.35 0.08 1.62 2.15 -1.11 -4.90 116.67 119.88 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 -0.77 1.68 -0.29 -0.17 0.00 0.00 175.17 175.88 3ixw h ILE 164 N 1.21 0.94 -0.05 4.11 2.10 -1.93 -0.61 117.51 123.27 3ixw h ILE 164 Ca -0.48 -0.11 -0.22 0.00 1.08 0.00 0.00 64.86 65.13 3ixw h ILE 164 Cb 1.21 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 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 -0.17 0.58 0.04 8.18 0.00 -1.97 -0.96 103.07 108.77 3ixw h GLY 165 Ca -0.01 -0.93 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 -0.85 117.51 118.79 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 35.23 3ixw h ILE 166 CO 0.16 0.00 -0.49 0.78 -0.69 0.00 0.00 178.15 177.91 3ixw h ASN 167 N -0.44 0.05 -0.00 1.72 2.35 -0.94 -2.05 115.58 116.26 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 38.81 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 0.00 -0.85 -0.83 0.00 -1.22 -2.74 119.26 115.10 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 0.88 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 3ixw h ALA 168 CO 0.07 -0.40 0.36 1.25 0.00 0.00 0.00 179.25 180.52 3ixw h HIS 169 N -0.18 0.61 0.12 0.00 -0.00 -0.45 -0.57 115.15 114.68 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 -0.01 0.02 -0.08 1.25 -0.00 0.00 0.00 177.93 179.11 3ixw h HIS 170 N 0.44 -0.20 0.47 5.26 6.17 -1.32 0.23 115.15 126.20 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 0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.85 3ixw h HIS 170 CO -0.15 -0.12 -0.28 2.35 0.71 0.00 0.00 177.93 180.44 3ixw h TRP 171 N -0.20 -0.75 -1.07 5.26 2.91 -1.08 -3.17 115.95 117.86 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 28.98 3ixw h TRP 171 CO -0.09 -0.44 0.68 0.45 -1.03 0.00 0.00 178.44 178.02 3ixw h HIS 172 N -0.71 0.67 -0.48 2.65 3.86 -0.83 0.15 115.15 120.45 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 0.58 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3ixw h HIS 172 CO -0.09 0.02 0.21 2.35 0.86 0.00 0.00 177.93 181.28 3ixw h TRP 173 N 0.36 0.72 -0.01 2.45 7.01 -0.52 -0.41 115.95 125.55 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 1.63 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 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 -0.58 115.22 120.52 3ixw n HIS 174 Ca 0.01 0.00 -0.15 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 1.17 1.49 -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 2.93 -0.02 0.00 0.47 0.00 0.00 36.82 40.69 3ixw h ILE 175 CO 0.00 0.89 -0.80 -0.37 -3.07 0.00 0.00 178.15 174.80 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 -2.57 -0.63 0.00 -1.23 0.00 0.00 66.70 62.14 3ixw h VAL 176 Cb 1.96 2.40 -0.42 0.00 -2.13 0.00 0.00 31.29 33.11 3ixw h VAL 176 CO 0.20 0.74 -0.57 -0.31 -1.23 0.00 0.00 177.57 176.40 3ixw s TYR 177 N -3.28 3.51 0.24 5.19 2.02 0.26 -5.10 117.35 120.19 3ixw s TYR 177 Ca -0.02 -3.30 -0.30 0.00 -0.37 0.00 0.00 57.07 53.09 3ixw s TYR 177 Cb 0.11 -2.75 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 3ixw s TYR 177 CO 0.81 -0.59 1.15 -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 63.18 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 0.05 1.93 0.00 0.04 0.00 0.00 177.00 178.89 3ixw h ALA 179 N 4.49 1.69 -0.05 8.56 0.00 -1.88 -0.03 119.26 132.04 3ixw h ALA 179 Ca -0.46 -0.02 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 0.00 179.25 180.38 3ixw n THR 180 N -4.50 0.08 -1.66 0.00 -2.24 -1.26 -0.29 114.28 104.42 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 -1.84 1.25 0.05 4.78 -0.11 -0.03 -4.87 118.94 118.18 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 -3.57 -0.08 0.00 -1.50 0.00 0.00 33.47 28.35 3ixw s TRP 181 CO 0.02 -1.71 1.63 1.21 -4.62 0.00 0.00 176.95 173.48 3ixw s ASN 182 N 10.48 6.64 0.08 5.86 3.84 -1.26 -4.49 114.94 136.08 3ixw s ASN 182 Ca 0.89 2.42 -0.17 0.00 0.21 0.00 0.00 52.86 56.20 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 0.00 177.10 174.33 3ixw h PRO 183 N 8.43 0.52 0.18 0.43 0.11 -1.93 -3.24 132.00 136.50 3ixw h PRO 183 Ca -0.42 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.46 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 0.77 -0.09 1.79 -0.21 0.00 0.00 178.00 181.19 3ixw h THR 184 N 0.26 0.85 0.00 -1.15 1.35 -1.90 0.23 112.91 112.55 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 0.60 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3ixw h THR 184 CO 0.03 0.21 -0.04 0.58 -0.25 0.00 0.00 175.52 176.05 3ixw h VAL 185 N -0.82 0.15 -0.44 6.82 2.07 -1.97 -0.44 116.25 121.63 3ixw h VAL 185 Ca -0.02 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3ixw h VAL 185 Cb 0.52 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3ixw h VAL 185 CO 0.04 0.04 0.03 0.23 0.02 0.00 0.00 177.57 177.93 3ixw n MET 186 N -3.22 3.65 0.00 1.57 2.81 -1.09 -4.99 117.12 115.84 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 30.69 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 -0.12 1.32 3.36 3.03 0.00 0.76 -4.84 105.19 108.71 3ixw n GLY 187 Ca 0.27 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.56 1.61 -2.85 -0.95 -4.88 119.74 114.45 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 0.00 175.35 173.69 3ixw s GLU 189 N -3.99 2.25 -0.30 1.78 1.03 -1.26 -4.46 118.70 113.74 3ixw s GLU 189 Ca 0.20 -1.94 0.02 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 -0.73 0.04 0.15 -1.33 0.00 0.00 175.26 173.42 3ixw s LYS 190 N -4.41 1.25 -0.22 -4.83 -0.14 -1.26 -5.06 119.74 105.07 3ixw s LYS 190 Ca 0.41 -1.37 -0.35 0.00 -1.36 0.00 0.00 55.97 53.30 3ixw s LYS 190 Cb -0.03 -2.63 -0.12 0.00 -1.68 0.00 0.00 37.83 33.37 3ixw s LYS 190 CO 0.26 -0.87 1.99 -0.25 -0.76 0.00 0.00 175.35 175.72 3ixw n ASP 191 N 4.56 2.85 -2.63 2.83 9.92 -1.26 -2.85 116.55 129.97 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 -1.32 0.01 0.00 -0.64 0.00 0.00 41.12 39.60 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 7.13 -2.83 -0.04 -1.24 1.74 -1.26 -4.91 116.66 115.26 3ixw n ARG 192 Ca 0.30 0.95 0.03 0.00 -0.77 0.00 0.00 57.85 58.37 3ixw n ARG 192 Cb 0.26 -5.69 0.40 0.00 -1.02 0.00 0.00 32.46 26.41 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 -0.49 0.61 0.29 5.56 2.10 -1.88 -0.03 116.57 122.73 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 -0.41 0.72 0.07 0.00 -1.86 -1.11 103.07 101.11 3ixw h GLY 194 Ca 0.17 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 0.18 -2.09 0.00 0.00 0.00 176.54 174.44 3ixw h GLU 195 N -0.88 0.35 -0.26 4.80 4.81 -1.30 0.15 114.58 122.25 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 0.07 0.23 0.12 1.25 -0.73 0.00 0.00 179.01 179.95 3ixw h LEU 196 N 0.36 0.31 -0.91 1.64 5.85 -1.05 -0.59 115.31 120.91 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 0.13 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3ixw h LEU 196 CO -0.16 0.27 -0.31 0.15 -0.34 0.00 0.00 178.44 178.05 3ixw h PHE 197 N 0.35 0.48 0.61 1.25 3.57 0.30 -0.84 116.94 122.66 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 0.04 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 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 -1.37 0.65 0.41 3.57 0.39 -3.33 116.94 117.63 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 0.73 0.52 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3ixw h PHE 198 CO 0.02 -0.69 -0.35 -0.92 -2.23 0.00 0.00 178.31 174.13 3ixw h TYR 199 N -1.08 -0.93 -1.11 0.41 3.20 -0.92 -0.56 116.97 115.98 3ixw h TYR 199 Ca -0.08 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.08 3ixw h TYR 199 Cb 0.91 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 0.12 1.82 4.05 -1.37 0.29 114.93 119.20 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 0.00 176.91 176.67 3ixw h HIS 201 N 0.30 0.94 0.40 1.39 3.86 -1.39 -1.09 115.15 119.56 3ixw h HIS 201 Ca 0.64 -0.60 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3ixw h HIS 201 Cb 1.78 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.18 3ixw h HIS 201 CO -0.00 1.44 -0.19 0.37 0.86 0.00 0.00 177.93 180.40 3ixw h GLN 202 N 0.26 -0.52 -0.77 2.45 -0.00 0.65 -1.91 115.11 115.27 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 29.42 3ixw h GLN 202 CO 0.23 -0.34 0.36 1.96 0.00 0.00 0.00 178.83 181.05 3ixw h GLN 203 N -0.55 0.54 -0.01 1.69 1.08 -0.56 0.36 115.11 117.66 3ixw h GLN 203 Ca -0.05 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3ixw h GLN 203 Cb 0.42 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 3ixw h GLN 203 CO 0.09 0.36 -0.34 0.52 -0.95 0.00 0.00 178.83 178.51 3ixw h MET 204 N 0.56 -0.47 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 58.08 3ixw h MET 204 Cb 0.53 0.11 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 2.37 0.11 -0.23 0.00 0.00 -0.11 0.72 119.26 122.13 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 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 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 -0.69 114.38 116.07 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 0.08 -0.33 -0.92 -1.07 0.00 0.00 179.97 177.92 3ixw h TYR 208 N 0.12 -0.89 -0.47 3.04 3.20 -1.28 -0.62 116.97 120.08 3ixw h TYR 208 Ca 0.10 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.13 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 0.40 -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 0.31 116.42 117.10 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 40.13 3ixw h ASP 209 CO -0.20 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 0.22 -0.21 0.26 0.00 -1.23 0.00 0.00 61.79 60.83 3ixw h SER 210 Cb 1.02 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 62.98 3ixw h SER 210 CO -0.00 0.10 0.67 -0.33 -0.53 0.00 0.00 176.83 176.74 3ixw h GLU 211 N -0.81 0.30 0.11 2.24 4.39 0.10 0.38 114.58 121.29 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 29.09 3ixw h GLU 211 CO 0.06 0.20 -0.05 0.00 -1.16 0.00 0.00 179.01 178.06 3ixw h ARG 212 N 0.31 -0.14 0.00 2.33 3.08 -0.60 -3.05 114.38 116.31 3ixw h ARG 212 Ca 0.55 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.57 3ixw h ARG 212 Cb 1.54 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 3ixw h ARG 212 CO -0.20 0.04 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.48 3ixw h LEU 213 N -0.30 0.00 -0.50 3.04 4.07 -0.73 0.93 115.31 121.81 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 0.18 0.20 0.28 -1.08 0.00 0.00 178.44 178.05 3ixw h SER 214 N 0.00 0.69 0.50 -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 0.67 0.00 0.59 -1.14 0.00 0.00 176.83 176.98 3ixw n ASN 215 N -4.55 0.61 -0.36 3.07 5.03 -1.16 -4.33 115.26 113.56 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 38.11 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 -0.40 0.68 3.82 7.41 0.00 -0.53 -5.08 105.19 111.08 3ixw n GLY 216 Ca 0.01 -0.74 -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 -0.74 2.72 0.43 0.99 1.43 0.31 -4.99 118.68 118.83 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 -0.88 0.76 0.00 0.23 0.00 0.00 176.35 176.48 3ixw s GLN 218 N -4.07 3.65 0.69 1.70 -2.07 -1.26 -3.03 119.66 115.26 3ixw s GLN 218 Ca 0.29 0.30 -0.17 0.00 -1.82 0.00 0.00 55.36 53.96 3ixw s GLN 218 Cb 0.00 -2.40 -0.07 0.00 -1.09 0.00 0.00 33.01 29.45 3ixw s GLN 218 CO 0.17 -0.10 0.35 0.54 -1.32 0.00 0.00 175.29 174.93 3ixw n ARG 219 N -1.75 0.27 -2.62 9.60 3.00 -1.26 -4.60 116.66 119.30 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 -1.64 -0.03 0.00 0.00 0.00 0.00 32.46 31.33 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 -2.37 4.48 0.03 5.56 1.75 -1.26 -4.99 119.30 122.50 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 33.76 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 1.38 3.43 0.55 10.11 2.07 -1.26 -4.92 121.20 132.56 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 0.00 174.94 172.28 3ixw s PRO 222 N 2.53 3.30 -1.37 3.50 0.04 -1.26 -4.25 135.00 137.48 3ixw s PRO 222 Ca 0.68 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.32 3ixw s PRO 222 Cb -0.35 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.24 3ixw s PRO 222 CO 0.29 -0.92 2.04 0.34 0.04 0.00 0.00 177.00 178.79 3ixw n PHE 223 N -1.25 3.35 0.08 0.56 7.35 0.12 -4.63 117.46 123.04 3ixw n PHE 223 Ca 0.12 -2.90 -0.10 0.00 -0.76 0.00 0.00 57.45 53.81 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 5.97 0.26 -3.04 -5.13 -0.00 -1.92 -3.45 115.15 107.83 3ixw h HIS 224 Ca 0.49 -0.17 -0.63 0.00 -0.00 0.00 0.00 60.37 60.06 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 1.05 -0.73 1.21 -0.00 0.00 0.00 177.93 180.83 3ixw s ASN 225 N -6.92 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 0.09 0.66 -0.06 0.43 3.01 -1.26 -4.27 117.46 116.05 3ixw n PHE 226 Ca -0.11 0.23 -0.09 0.00 1.01 0.00 0.00 57.45 58.48 3ixw n PHE 226 Cb 0.55 -1.02 -0.02 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 0.27 -2.22 4.37 3.32 -1.96 -3.36 116.42 116.85 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 1.73 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 41.25 3ixw h ASP 227 CO 0.04 0.20 1.05 -0.62 -1.72 0.00 0.00 179.24 178.19 3ixw n GLU 228 N -4.92 2.38 -1.36 3.56 -0.58 -1.26 -4.46 120.64 113.99 3ixw n GLU 228 Ca -0.02 0.87 -0.38 0.00 -0.42 0.00 0.00 57.16 57.21 3ixw n GLU 228 Cb 0.03 -2.72 0.04 0.00 -0.57 0.00 0.00 31.44 28.22 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 5.82 0.37 -3.76 3.49 -0.02 -1.26 -4.79 135.00 134.85 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 0.32 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.26 4.39 0.84 2.45 1.02 0.27 -4.82 118.68 124.09 3ixw s LEU 230 Ca 0.65 0.59 -0.12 0.00 0.02 0.00 0.00 54.13 55.28 3ixw s LEU 230 Cb -0.41 -2.47 0.10 0.00 0.02 0.00 0.00 46.19 43.43 3ixw s LEU 230 CO 0.58 0.31 1.16 -1.61 0.02 0.00 0.00 176.35 176.81 3ixw s GLU 231 N -1.43 1.48 0.01 1.70 8.01 -1.26 -2.56 118.70 124.65 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 -1.78 -0.05 0.00 -4.31 0.00 0.00 34.13 27.86 3ixw s GLU 231 CO 0.12 -2.29 0.36 0.20 0.01 0.00 0.00 175.26 173.65 3ixw s GLY 232 N -2.56 2.38 -0.27 -1.39 0.00 -1.26 -4.54 107.32 99.68 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 0.00 173.10 173.93 3ixw s TYR 233 N -1.18 -0.70 -0.29 1.90 5.04 0.73 -4.85 117.35 118.00 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 0.38 2.69 0.52 3.97 0.00 -1.26 -1.45 121.76 126.60 3ixw s ALA 234 Ca 0.01 -2.04 0.20 0.00 0.00 0.00 0.00 51.96 50.13 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 0.00 175.76 175.51 3ixw h PRO 235 N 7.72 0.00 -4.33 0.00 0.13 -1.96 -3.47 132.00 130.09 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 32.26 3ixw h PRO 235 CO 0.48 0.04 -0.48 0.72 -0.23 0.00 0.00 178.00 178.54 3ixw n HIS 236 N -4.26 -1.76 -3.92 1.56 8.25 -1.26 -4.86 115.22 108.97 3ixw n HIS 236 Ca -0.03 0.66 -0.30 0.00 -0.26 0.00 0.00 57.72 57.80 3ixw n HIS 236 Cb 0.13 -3.86 -0.16 0.00 1.12 0.00 0.00 29.99 27.23 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 -5.12 2.43 -0.01 2.41 1.02 -1.26 -0.38 118.68 117.77 3ixw s LEU 237 Ca 0.24 -1.14 -0.11 0.00 0.02 0.00 0.00 54.13 53.14 3ixw s LEU 237 Cb -0.11 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.94 3ixw s LEU 237 CO 0.49 -0.24 0.33 0.42 0.02 0.00 0.00 176.35 177.36 3ixw s THR 238 N 1.44 5.18 -0.08 5.49 -4.23 -1.26 -3.58 115.64 118.60 3ixw s THR 238 Ca -0.05 0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 60.74 3ixw s THR 238 Cb -0.19 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3ixw s THR 238 CO -0.06 0.50 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 -4.81 113.70 119.08 3ixw s SER 239 Ca 0.24 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 0.41 0.00 0.10 0.00 0.00 66.02 63.93 3ixw s SER 239 CO 0.13 -0.21 1.28 0.00 0.98 0.00 0.00 173.24 175.42 3ixw n LEU 240 N 4.18 0.11 0.10 2.42 -0.00 -1.26 -2.78 117.00 119.76 3ixw n LEU 240 Ca 0.01 0.54 0.11 0.00 -0.00 0.00 0.00 56.01 56.68 3ixw n LEU 240 Cb 0.51 -0.54 0.45 0.00 -0.00 0.00 0.00 43.42 43.84 3ixw n LEU 240 CO 0.48 -0.46 0.85 1.33 -0.00 0.00 0.00 177.39 179.59 3ixw n VAL 241 N -1.63 0.77 -0.81 1.47 0.24 -1.26 -4.93 118.33 112.18 3ixw n VAL 241 Ca 0.01 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3ixw n VAL 241 Cb 0.08 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 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 -2.09 1.32 -0.06 -1.34 2.88 -1.12 -4.99 113.62 108.22 3ixw n SER 242 Ca 0.03 0.00 -0.02 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 -1.00 2.81 0.46 0.00 -1.26 -4.86 105.19 101.35 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 -2.55 0.00 -3.78 0.99 4.32 -1.26 -4.67 117.00 110.05 3ixw n LEU 244 Ca -0.21 -0.90 -0.10 0.00 -0.02 0.00 0.00 56.01 54.78 3ixw n LEU 244 Cb 0.92 -0.83 -0.06 0.00 -1.62 0.00 0.00 43.42 41.84 3ixw n LEU 244 CO 0.44 -2.13 0.07 0.00 -1.22 0.00 0.00 177.39 174.56 3ixw s GLN 245 N -4.96 1.08 -0.37 3.23 -2.07 -1.26 -1.60 119.66 113.72 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 0.43 -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 1.67 -1.66 9.60 4.02 -1.23 -4.07 117.16 125.29 3ixw n TYR 246 Ca -0.13 0.01 -0.46 0.00 -0.01 0.00 0.00 57.90 57.31 3ixw n TYR 246 Cb 0.63 -2.68 -0.03 0.00 -0.02 0.00 0.00 39.34 37.24 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 13.77 0.85 -2.64 -0.72 0.00 0.11 -4.89 120.51 126.99 3ixw n ALA 247 Ca 0.34 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.88 3ixw n ALA 247 Cb 0.49 -2.25 -0.10 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 4.93 -0.26 0.00 1.04 -1.26 -3.91 113.70 114.59 3ixw s SER 248 Ca 0.71 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.92 3ixw s SER 248 Cb -0.69 -1.27 -0.02 0.00 0.10 0.00 0.00 66.02 64.15 3ixw s SER 248 CO 0.48 0.31 0.65 -0.60 0.98 0.00 0.00 173.24 175.06 3ixw s ARG 249 N -1.26 4.09 0.61 4.02 3.52 -0.53 -4.91 118.95 124.49 3ixw s ARG 249 Ca 0.16 0.55 -0.17 0.00 -0.13 0.00 0.00 55.73 56.14 3ixw s ARG 249 Cb -0.11 -3.66 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 3ixw s ARG 249 CO 0.06 -0.44 1.15 -1.25 -0.81 0.00 0.00 175.30 174.01 3ixw s PRO 250 N 2.55 2.96 0.80 5.12 0.04 -1.26 -0.20 135.00 145.01 3ixw s PRO 250 Ca 0.27 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 3ixw s PRO 250 Cb -0.15 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.51 3ixw s PRO 250 CO 0.09 -1.16 1.13 -1.83 0.04 0.00 0.00 177.00 175.26 3ixw s GLU 251 N -3.62 2.03 0.00 4.56 1.03 -1.26 -4.44 118.70 117.01 3ixw s GLU 251 Ca 0.72 0.36 0.00 0.00 0.03 0.00 0.00 54.97 56.08 3ixw s GLU 251 Cb -0.25 -1.94 0.00 0.00 -0.80 0.00 0.00 34.13 31.15 3ixw s GLU 251 CO 0.35 -1.60 0.00 0.41 -1.33 0.00 0.00 175.26 173.09 3ixw n GLY 252 N -2.71 0.91 3.27 -3.83 0.00 -1.06 -4.90 105.19 96.87 3ixw n GLY 252 Ca 0.07 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.19 3.12 0.44 1.61 1.51 -1.23 -4.89 117.35 115.72 3ixw s TYR 253 Ca 0.00 -1.27 -0.24 0.00 -1.01 0.00 0.00 57.07 54.55 3ixw s TYR 253 Cb 0.00 -2.16 -0.08 0.00 -0.11 0.00 0.00 41.96 39.61 3ixw s TYR 253 CO 0.00 -0.65 1.25 0.45 -1.11 0.00 0.00 175.55 175.49 3ixw s SER 254 N 1.41 6.13 0.55 2.29 0.15 -1.26 -0.57 113.70 122.40 3ixw s SER 254 Ca 0.01 2.52 -0.19 0.00 0.70 0.00 0.00 55.95 58.99 3ixw s SER 254 Cb -0.17 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 3ixw s SER 254 CO -0.01 -0.96 1.15 -0.51 1.20 0.00 0.00 173.24 174.11 3ixw s ILE 255 N -1.38 3.04 0.02 6.45 1.10 -1.26 -4.97 121.20 124.20 3ixw s ILE 255 Ca 0.61 0.65 0.02 0.00 -0.51 0.00 0.00 60.65 61.42 3ixw s ILE 255 Cb -0.34 -3.26 -0.01 0.00 0.15 0.00 0.00 42.46 38.99 3ixw s ILE 255 CO 0.43 -0.14 -0.07 -1.00 -2.11 0.00 0.00 174.94 172.05 3ixw s HIS 256 N -1.72 0.62 0.98 3.50 3.76 -1.26 -5.03 115.29 116.14 3ixw s HIS 256 Ca 0.74 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 55.24 3ixw s HIS 256 Cb -0.26 -0.38 0.16 0.00 1.11 0.00 0.00 32.58 33.22 3ixw s HIS 256 CO 0.28 -0.04 1.00 -0.25 -0.85 0.00 0.00 174.74 174.88 3ixw n ASP 257 N 2.20 -0.45 -4.44 1.40 9.92 -1.26 -4.84 116.55 119.09 3ixw n ASP 257 Ca -0.18 0.28 -0.24 0.00 -0.53 0.00 0.00 54.79 54.12 3ixw n ASP 257 Cb 0.56 -1.39 -0.10 0.00 -0.64 0.00 0.00 41.12 39.55 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 -5.92 2.55 0.50 0.64 1.43 -0.16 -4.63 118.68 113.08 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 -1.06 1.68 0.00 0.03 0.00 0.00 46.19 46.61 3ixw s LEU 258 CO 0.61 0.04 1.94 0.28 0.23 0.00 0.00 176.35 179.44 3ixw h SER 259 N 2.54 0.00 0.00 2.29 0.02 -1.94 -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 -4.40 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 40.58 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 2.56 0.49 2.53 1.01 -1.24 -5.13 120.40 119.66 3ixw s VAL 261 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 3ixw s VAL 261 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 3ixw s VAL 261 CO 0.00 0.56 0.99 1.51 0.00 0.00 0.00 175.10 178.16 3ixw s ASP 262 N -0.75 6.57 0.51 3.32 -4.77 -1.26 -0.99 116.67 119.30 3ixw s ASP 262 Ca 0.11 1.73 0.16 0.00 -3.30 0.00 0.00 52.55 51.24 3ixw s ASP 262 Cb -0.10 -2.53 1.25 0.00 -1.09 0.00 0.00 42.92 40.44 3ixw s ASP 262 CO 0.00 -0.62 2.14 0.58 0.70 0.00 0.00 175.17 177.97 3ixw h VAL 263 N 1.36 1.01 0.37 2.11 2.07 -1.94 -2.13 116.25 119.10 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 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ixw h VAL 263 CO 0.60 0.01 -0.24 -0.61 0.02 0.00 0.00 177.57 177.35 3ixw h GLN 264 N 0.02 -0.58 0.00 1.57 4.15 -1.98 -0.81 115.11 117.48 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 0.01 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3ixw h GLN 264 CO -0.00 -0.39 -0.14 0.22 -1.93 0.00 0.00 178.83 176.60 3ixw h ASP 265 N -0.60 0.00 -0.06 -0.69 3.58 -1.77 0.35 116.42 117.23 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 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3ixw h ASP 265 CO 0.03 0.14 -0.01 0.24 -2.88 0.00 0.00 179.24 176.75 3ixw h MET 266 N 0.00 0.00 -0.85 0.28 2.86 -1.44 -0.98 114.93 114.80 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 0.32 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3ixw h MET 266 CO 0.02 0.00 0.41 0.28 1.06 0.00 0.00 176.91 178.68 3ixw h VAL 267 N 0.00 1.26 0.43 -2.22 2.07 0.79 -2.56 116.25 116.02 3ixw h VAL 267 Ca 0.03 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3ixw h VAL 267 Cb 0.04 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3ixw h VAL 267 CO -0.05 0.31 -0.43 0.03 0.02 0.00 0.00 177.57 177.44 3ixw h ARG 268 N 1.20 -0.83 -0.89 1.57 3.08 -0.35 -2.74 114.38 115.41 3ixw h ARG 268 Ca 0.29 0.06 0.25 0.00 0.07 0.00 0.00 59.98 60.64 3ixw h ARG 268 Cb 0.11 0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.21 3ixw h ARG 268 CO -0.04 -0.55 0.24 -1.49 -1.07 0.00 0.00 179.97 177.06 3ixw h TRP 269 N -0.86 0.35 0.19 3.04 6.55 -1.01 -0.07 115.95 124.14 3ixw h TRP 269 Ca -0.05 0.05 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3ixw h TRP 269 Cb 0.75 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.04 3ixw h TRP 269 CO -0.23 -0.24 -0.09 -0.09 -1.05 0.00 0.00 178.44 176.74 3ixw h ARG 270 N 0.19 -0.25 -0.72 0.49 2.43 -1.24 0.47 114.38 115.76 3ixw h ARG 270 Ca 0.57 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.75 3ixw h ARG 270 Cb 1.18 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 3ixw h ARG 270 CO -0.68 -0.15 0.40 0.93 -1.51 0.00 0.00 179.97 178.97 3ixw h GLU 271 N -0.27 0.98 -0.05 0.20 4.39 -0.88 0.80 114.58 119.75 3ixw h GLU 271 Ca -0.03 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3ixw h GLU 271 Cb 0.21 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ixw h GLU 271 CO 0.04 0.71 -0.08 0.00 -1.16 0.00 0.00 179.01 178.52 3ixw h ARG 272 N 1.00 0.07 0.01 2.33 3.08 -0.58 -1.34 114.38 118.94 3ixw h ARG 272 Ca 0.26 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3ixw h ARG 272 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ixw h ARG 272 CO -0.04 0.16 -0.00 0.82 -1.07 0.00 0.00 179.97 179.83 3ixw h ILE 273 N 0.07 1.58 -0.77 2.04 2.04 -0.07 -3.29 117.51 119.11 3ixw h ILE 273 Ca 0.02 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.76 3ixw h ILE 273 Cb 0.20 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 3ixw h ILE 273 CO 0.01 0.51 0.29 -0.07 0.00 0.00 0.00 178.15 178.90 3ixw h LEU 274 N -0.94 1.08 -0.75 1.44 3.38 -0.64 0.15 115.31 119.03 3ixw h LEU 274 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ixw h LEU 274 Cb 0.85 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3ixw h LEU 274 CO 0.00 0.96 0.39 -0.78 0.09 0.00 0.00 178.44 179.11 3ixw h ASP 275 N 1.13 0.95 0.34 -0.43 3.58 -1.45 -2.46 116.42 118.08 3ixw h ASP 275 Ca 0.26 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3ixw h ASP 275 Cb 0.23 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 3ixw h ASP 275 CO -0.02 0.79 -0.16 0.00 -2.88 0.00 0.00 179.24 176.97 3ixw h ALA 276 N 1.20 1.37 0.10 -0.78 0.00 -0.83 0.25 119.26 120.57 3ixw h ALA 276 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ixw h ALA 276 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ixw h ALA 276 CO -0.04 0.20 -0.05 0.82 0.00 0.00 0.00 179.25 180.19 3ixw h ILE 277 N 0.00 1.03 -0.76 0.00 2.04 -0.88 0.45 117.51 119.38 3ixw h ILE 277 Ca -0.00 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3ixw h ILE 277 Cb 0.38 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3ixw h ILE 277 CO 0.02 0.11 0.50 0.78 0.00 0.00 0.00 178.15 179.56 3ixw h ASN 278 N -0.34 0.84 1.35 1.72 2.35 -0.82 0.94 115.58 121.62 3ixw h ASN 278 Ca -0.01 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3ixw h ASN 278 Cb 0.28 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3ixw h ASN 278 CO 0.02 0.60 -0.00 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 -0.60 -3.48 114.93 113.85 3ixw h MET 279 Ca 0.29 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.68 3ixw h MET 279 Cb -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3ixw h MET 279 CO -0.08 0.00 -0.31 0.72 1.06 0.00 0.00 176.91 178.30 3ixw n HIS 280 N -3.10 -0.54 -3.97 -0.22 8.25 0.14 -5.01 115.22 110.77 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 -2.73 -0.05 0.00 1.12 0.00 0.00 29.99 28.71 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 -0.47 -0.79 117.35 117.36 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 -0.11 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 -4.66 121.20 104.21 3ixw s ILE 282 Ca 0.20 -0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 59.78 3ixw s ILE 282 Cb -0.01 -0.74 -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 0.00 174.94 176.26 3ixw s VAL 283 N -0.57 5.26 0.99 8.37 -7.23 -1.26 -1.13 120.40 124.83 3ixw s VAL 283 Ca 0.01 -0.22 -0.15 0.00 -1.81 0.00 0.00 61.98 59.81 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 -1.10 0.00 0.00 1.07 0.00 0.00 42.92 42.72 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 -0.67 118.16 127.33 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 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.27 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 -0.91 1.37 0.00 4.39 5.75 -1.26 -5.01 116.55 120.87 3ixw n ASP 286 Ca 0.00 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 3ixw n ASP 286 Cb 0.00 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.65 0.00 -4.73 -1.12 3.02 0.15 -5.05 115.26 106.88 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 0.34 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 7.25 -0.55 6.41 0.01 -1.26 -4.74 114.94 118.93 3ixw s ASN 288 Ca 0.00 1.50 -0.28 0.00 -0.71 0.00 0.00 52.86 53.36 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 0.20 3.57 0.03 -0.60 3.01 -1.26 -3.18 119.74 121.51 3ixw s LYS 289 Ca 0.41 0.34 -0.06 0.00 -1.01 0.00 0.00 55.97 55.65 3ixw s LYS 289 Cb -0.21 -3.99 -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 0.00 175.35 175.74 3ixw s ILE 290 N 4.83 5.28 0.29 2.17 -4.36 -0.28 -4.92 121.20 124.21 3ixw s ILE 290 Ca 0.45 0.13 -0.29 0.00 -0.26 0.00 0.00 60.65 60.68 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 1.25 -2.84 0.24 0.00 0.00 174.94 174.18 3ixw s PRO 291 N -1.91 4.44 -1.34 0.37 0.02 -1.26 -2.27 135.00 133.05 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 -3.13 0.11 0.00 0.02 0.00 0.00 34.50 31.37 3ixw s PRO 291 CO 0.18 -0.10 1.93 1.28 -0.33 0.00 0.00 177.00 179.96 3ixw n LEU 292 N 1.26 6.32 -4.55 -5.54 4.77 0.03 -4.69 117.00 114.60 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 0.23 0.00 -2.33 0.00 0.00 43.42 40.15 3ixw n LEU 292 CO 0.58 1.04 0.56 -0.62 -1.33 0.00 0.00 177.39 177.61 3ixw s ASP 293 N 2.39 1.46 0.02 -1.43 2.15 -1.26 -4.82 116.67 115.18 3ixw s ASP 293 Ca 0.45 1.46 -0.29 0.00 0.43 0.00 0.00 52.55 54.60 3ixw s ASP 293 Cb 0.09 -2.20 -0.16 0.00 -0.30 0.00 0.00 42.92 40.35 3ixw s ASP 293 CO -0.02 -3.89 1.21 0.40 -0.17 0.00 0.00 175.17 172.69 3ixw h ILE 294 N -2.41 0.04 0.25 4.11 2.04 -1.99 -2.72 117.51 116.82 3ixw h ILE 294 Ca -0.59 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3ixw h ILE 294 Cb 1.33 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3ixw h ILE 294 CO 0.52 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 178.22 3ixw h GLU 295 N -1.25 -0.32 -0.93 2.37 5.08 -1.99 -3.35 114.58 114.19 3ixw h GLU 295 Ca -0.10 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3ixw h GLU 295 Cb 0.78 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3ixw h GLU 295 CO 0.17 -0.22 0.60 0.45 -1.00 0.00 0.00 179.01 179.02 3ixw h HIS 296 N -0.39 1.10 -1.38 4.33 3.86 -1.94 -3.25 115.15 117.48 3ixw h HIS 296 Ca -0.03 0.03 0.47 0.00 -1.16 0.00 0.00 60.37 59.67 3ixw h HIS 296 Cb 0.26 -0.36 -0.13 0.00 1.06 0.00 0.00 27.41 28.23 3ixw h HIS 296 CO 0.13 0.60 0.89 0.78 0.86 0.00 0.00 177.93 181.20 3ixw h GLY 297 N 1.11 1.31 1.30 2.45 0.00 -1.62 0.74 103.07 108.36 3ixw h GLY 297 Ca 0.39 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.40 3ixw h GLY 297 CO -0.13 -0.44 -1.34 -0.84 0.00 0.00 0.00 176.54 173.79 3ixw h THR 298 N 0.04 0.91 -0.17 4.70 2.02 -1.80 0.31 112.91 118.91 3ixw h THR 298 Ca 0.86 -2.57 -0.16 0.00 0.77 0.00 0.00 66.41 65.31 3ixw h THR 298 Cb 2.77 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 71.57 3ixw h THR 298 CO -0.43 0.52 -0.50 -0.78 0.37 0.00 0.00 175.52 174.69 3ixw h ASP 299 N 0.00 0.74 1.56 4.18 1.82 -1.12 -1.05 116.42 122.56 3ixw h ASP 299 Ca -0.16 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 3ixw h ASP 299 Cb 1.76 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.56 3ixw h ASP 299 CO 0.08 1.20 0.00 0.16 -1.61 0.00 0.00 179.24 179.07 3ixw h ILE 300 N 0.33 0.00 0.11 2.25 3.07 -1.32 -0.03 117.51 121.92 3ixw h ILE 300 Ca -0.01 -0.62 -0.29 0.00 1.55 0.00 0.00 64.86 65.48 3ixw h ILE 300 Cb 1.12 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 3ixw h ILE 300 CO 0.11 0.00 -1.43 0.25 -1.05 0.00 0.00 178.15 176.03 3ixw h LEU 301 N 0.00 0.37 -0.27 0.16 5.85 -0.41 -3.32 115.31 117.69 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 41.69 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 1.76 0.69 0.97 3.75 0.00 -0.84 -0.67 103.07 108.73 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 -2.89 116.42 116.43 3ixw h ASP 303 Ca 0.05 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 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 0.42 -0.05 0.40 -2.04 0.00 0.00 179.24 178.03 3ixw h ILE 304 N 0.50 0.88 -0.05 4.15 2.04 -1.65 0.37 117.51 123.75 3ixw h ILE 304 Ca 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 3ixw h ILE 304 Cb 0.04 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3ixw h ILE 304 CO -0.02 0.00 -0.31 -0.29 0.00 0.00 0.00 178.15 177.53 3ixw h ILE 305 N -0.11 1.24 0.49 -0.67 -0.00 -1.14 -3.38 117.51 113.94 3ixw h ILE 305 Ca 0.01 -1.15 -0.02 0.00 -0.00 0.00 0.00 64.86 63.71 3ixw h ILE 305 Cb 0.11 1.55 -0.01 0.00 -0.00 0.00 0.00 36.82 38.48 3ixw h ILE 305 CO -0.03 0.34 -0.36 -0.08 -0.00 0.00 0.00 178.15 178.02 3ixw h GLU 306 N 0.08 -0.80 -6.25 2.19 4.81 -1.51 -1.29 114.58 111.80 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 30.15 3ixw h GLU 306 CO 0.04 -0.53 -0.39 -1.54 -0.73 0.00 0.00 179.01 175.87 3ixw s SER 307 N -4.49 6.24 0.56 1.04 1.04 -1.26 -2.16 113.70 114.67 3ixw s SER 307 Ca -0.17 0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.40 3ixw s SER 307 Cb 0.05 -1.74 0.08 0.00 0.10 0.00 0.00 66.02 64.50 3ixw s SER 307 CO 0.62 -0.17 0.78 -0.44 0.98 0.00 0.00 173.24 175.01 3ixw s SER 308 N -4.03 5.13 0.34 7.02 0.01 0.13 -4.83 113.70 117.47 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 -1.30 1.96 0.44 0.41 0.00 0.00 173.24 175.04 3ixw h ASP 309 N 0.19 0.75 0.01 2.44 5.19 -0.91 -1.88 116.42 122.21 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 0.02 -2.15 3.56 1.02 -1.26 -4.66 120.64 112.69 3ixw n GLU 310 Ca 0.11 0.18 -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 30.07 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 -2.36 5.90 0.33 1.62 0.15 -0.71 -4.71 113.70 113.92 3ixw s SER 311 Ca 0.01 0.84 0.08 0.00 0.70 0.00 0.00 55.95 57.58 3ixw s SER 311 Cb 0.01 -2.53 0.80 0.00 -1.71 0.00 0.00 66.02 62.58 3ixw s SER 311 CO 0.01 -1.78 1.80 0.11 1.20 0.00 0.00 173.24 174.58 3ixw h LYS 312 N 12.52 0.69 -4.63 5.44 1.57 -1.88 -3.34 116.57 126.93 3ixw h LYS 312 Ca -0.30 -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 -5.50 1.21 -0.28 0.86 3.84 -1.26 -0.12 114.94 113.69 3ixw s ASN 313 Ca -0.11 -0.19 -0.11 0.00 0.21 0.00 0.00 52.86 52.67 3ixw s ASN 313 Cb 0.24 -0.30 -0.13 0.00 -0.55 0.00 0.00 41.25 40.52 3ixw s ASN 313 CO 0.80 0.07 -0.33 1.33 -2.79 0.00 0.00 177.10 176.18 3ixw n VAL 314 N 3.22 1.52 0.01 -5.21 0.24 -1.25 -3.73 118.33 113.13 3ixw n VAL 314 Ca -0.17 -0.43 -0.10 0.00 -2.04 0.00 0.00 64.34 61.60 3ixw n VAL 314 Cb 0.55 -1.79 0.04 0.00 -1.47 0.00 0.00 33.84 31.17 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 -0.79 0.54 0.01 7.34 4.11 -1.96 0.22 114.58 124.05 3ixw h GLU 315 Ca -0.68 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 58.32 3ixw h GLU 315 Cb 1.68 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.98 3ixw h GLU 315 CO -0.36 0.98 -0.24 -0.92 0.07 0.00 0.00 179.01 178.53 3ixw h TYR 316 N 0.41 0.23 -0.01 2.06 3.20 -1.98 -3.33 116.97 117.54 3ixw h TYR 316 Ca -0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3ixw h TYR 316 Cb 1.14 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3ixw h TYR 316 CO 0.05 0.96 -0.62 0.66 -1.64 0.00 0.00 178.16 177.57 3ixw n TYR 317 N -4.51 0.00 -4.14 -3.82 4.01 -1.23 -4.67 117.16 102.81 3ixw n TYR 317 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3ixw n TYR 317 Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 1.45 -0.24 2.46 2.72 0.00 0.77 -4.06 105.19 108.29 3ixw n GLY 318 Ca 0.07 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 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 0.43 1.93 -0.24 1.61 7.64 -1.26 -4.55 113.62 119.18 3ixw n SER 319 Ca 0.00 -3.10 0.12 0.00 1.01 0.00 0.00 58.87 56.89 3ixw n SER 319 Cb 0.00 -0.57 0.39 0.00 -1.01 0.00 0.00 64.21 63.02 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 2.96 0.62 0.59 -3.43 5.85 -1.41 0.15 115.31 120.64 3ixw h LEU 320 Ca 0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3ixw h LEU 320 Cb 0.94 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3ixw h LEU 320 CO 0.58 0.33 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.80 3ixw h HIS 321 N 0.66 -1.29 -0.27 1.25 2.76 -1.53 -1.35 115.15 115.38 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 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 3ixw h HIS 321 CO -0.00 -0.66 0.12 -0.91 -1.30 0.00 0.00 177.93 175.18 3ixw h ASN 322 N -1.03 0.36 -0.35 3.26 4.21 -0.27 -3.15 115.58 118.62 3ixw h ASN 322 Ca -0.08 -0.14 0.03 0.00 1.21 0.00 0.00 56.30 57.33 3ixw h ASN 322 Cb 0.86 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.93 3ixw h ASN 322 CO 0.01 0.40 0.15 -0.50 -1.29 0.00 0.00 177.43 176.19 3ixw h TRP 323 N 0.30 0.27 -0.91 1.19 4.06 -1.07 0.50 115.95 120.29 3ixw h TRP 323 Ca 0.09 0.02 0.20 0.00 2.06 0.00 0.00 58.89 61.26 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 -0.02 0.13 0.60 0.78 -3.56 0.00 0.00 178.44 176.38 3ixw h GLY 324 N 0.31 0.94 1.00 1.49 0.00 -1.27 -0.08 103.07 105.46 3ixw h GLY 324 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ixw h GLY 324 CO -0.13 -0.01 0.35 0.45 0.00 0.00 0.00 176.54 177.20 3ixw h HIS 325 N 0.43 0.77 0.65 5.60 3.86 -0.86 0.75 115.15 126.35 3ixw h HIS 325 Ca 0.48 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.66 3ixw h HIS 325 Cb 1.16 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 3ixw h HIS 325 CO -0.00 0.53 -0.38 0.28 0.86 0.00 0.00 177.93 179.22 3ixw h VAL 326 N 0.79 0.00 -0.87 2.45 2.07 -0.68 -2.64 116.25 117.36 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 -0.95 0.62 0.00 1.57 -0.00 -1.53 0.17 114.93 114.81 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 -3.18 117.12 112.53 3ixw n MET 328 Ca 0.17 0.30 -0.06 0.00 -1.81 0.00 0.00 57.70 56.30 3ixw n MET 328 Cb 0.49 -1.83 -0.08 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.74 -0.21 3.04 0.00 -0.49 -4.23 120.51 118.58 3ixw n ALA 329 Ca 0.04 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 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 -2.48 3.43 0.01 0.00 0.23 0.47 -0.34 115.26 116.58 3ixw n ASN 330 Ca -0.18 -2.86 0.01 0.00 -0.53 0.00 0.00 54.58 51.02 3ixw n ASN 330 Cb 0.81 -0.68 0.06 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.40 119.36 120.96 3ixw n ILE 331 Ca 0.32 0.50 -0.12 0.00 -1.10 0.00 0.00 62.75 62.35 3ixw n ILE 331 Cb 1.12 -1.49 -0.14 0.00 -0.84 0.00 0.00 39.64 38.30 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 -3.47 112.91 118.80 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 -0.05 0.00 2.03 0.47 -5.03 116.55 108.49 3ixw n ASP 333 Ca -0.17 -2.27 -0.14 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 42.61 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 0.37 -0.98 -0.67 0.13 -1.66 -3.20 132.00 129.99 3ixw h PRO 334 Ca -0.10 -0.22 0.23 0.00 -0.87 0.00 0.00 66.00 65.04 3ixw h PRO 334 Cb 1.13 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.20 3ixw h PRO 334 CO 0.02 0.80 0.64 0.22 -0.23 0.00 0.00 178.00 179.45 3ixw h ASP 335 N -0.03 0.46 0.00 1.44 1.82 -1.90 -3.41 116.42 114.79 3ixw h ASP 335 Ca 0.01 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 3ixw h ASP 335 Cb 0.77 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.77 3ixw h ASP 335 CO 0.05 0.15 0.00 1.57 -1.61 0.00 0.00 179.24 179.39 3ixw n HIS 336 N -4.58 0.00 -0.37 0.28 -0.00 -1.21 -4.87 115.22 104.47 3ixw n HIS 336 Ca 0.22 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 58.22 3ixw n HIS 336 Cb 0.77 -0.77 0.55 0.00 -0.00 0.00 0.00 29.99 30.53 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 0.77 0.26 0.00 1.57 0.11 -1.89 -2.42 114.38 112.78 3ixw h ARG 337 Ca 0.00 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 3ixw h ARG 337 Cb 0.34 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 3ixw h ARG 337 CO 0.00 0.18 -0.75 0.74 0.10 0.00 0.00 179.97 180.24 3ixw h PHE 338 N 0.27 0.00 -0.83 4.08 0.04 -1.94 -3.48 116.94 115.08 3ixw h PHE 338 Ca 0.71 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 61.19 3ixw h PHE 338 Cb 1.91 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.96 3ixw h PHE 338 CO -0.01 0.48 -0.28 1.04 -0.60 0.00 0.00 178.31 178.95 3ixw n GLN 339 N -3.11 -1.01 -1.74 1.51 6.02 -0.91 -4.98 117.38 113.16 3ixw n GLN 339 Ca -0.01 0.97 -0.42 0.00 -0.01 0.00 0.00 57.00 57.53 3ixw n GLN 339 Cb 0.75 -5.10 -0.02 0.00 1.02 0.00 0.00 30.24 26.89 3ixw n GLN 339 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3ixw n GLU 340 N -2.56 2.76 -1.81 -1.09 1.02 -1.26 -4.94 120.64 112.76 3ixw n GLU 340 Ca -0.15 0.99 -0.42 0.00 -0.02 0.00 0.00 57.16 57.56 3ixw n GLU 340 Cb 0.49 -2.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.08 3ixw n GLU 340 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3ixw s ASN 341 N 0.77 6.37 1.15 1.62 -0.87 -1.26 -4.91 114.94 117.81 3ixw s ASN 341 Ca 0.68 2.33 -0.13 0.00 -1.57 0.00 0.00 52.86 54.17 3ixw s ASN 341 Cb -0.49 -2.53 0.25 0.00 -0.02 0.00 0.00 41.25 38.45 3ixw s ASN 341 CO 0.42 -1.16 0.85 -2.65 -2.57 0.00 0.00 177.10 171.99 3ixw n PRO 342 N 7.60 -2.15 -1.83 -0.60 -0.02 -1.26 0.10 135.00 136.83 3ixw n PRO 342 Ca 0.20 -0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 60.70 3ixw n PRO 342 Cb 0.42 -2.10 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 -2.32 2.90 0.00 -1.23 0.00 0.53 -4.12 107.32 103.08 3ixw s GLY 343 Ca 0.66 1.35 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 0.00 173.10 179.52 3ixw n VAL 344 N -0.61 0.57 0.65 1.40 0.24 -1.26 -1.99 118.33 117.33 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 31.99 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 -1.01 117.12 121.50 3ixw n MET 345 Ca 0.00 0.21 0.15 0.00 -0.00 0.00 0.00 57.70 58.06 3ixw n MET 345 Cb 0.14 -1.70 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 -3.52 6.12 0.02 -1.67 -3.44 113.55 111.06 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 -5.00 2.52 0.15 3.07 2.15 -1.24 -3.63 116.67 114.68 3ixw s ASP 347 Ca 0.03 -0.91 0.15 0.00 0.43 0.00 0.00 52.55 52.25 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 1.11 0.00 -0.17 0.00 0.00 175.17 176.49 3ixw h THR 348 N 3.06 0.79 -0.01 1.71 1.03 -1.86 -3.18 112.91 114.45 3ixw h THR 348 Ca -0.40 -2.27 -0.17 0.00 -0.01 0.00 0.00 66.41 63.55 3ixw h THR 348 Cb 1.21 2.30 -0.02 0.00 -1.07 0.00 0.00 68.15 70.57 3ixw h THR 348 CO 0.55 0.45 -0.77 0.28 -0.01 0.00 0.00 175.52 176.02 3ixw h SER 349 N 0.00 0.17 0.10 0.00 0.02 -1.89 -3.36 113.55 108.59 3ixw h SER 349 Ca -0.09 -0.12 -0.25 0.00 -0.84 0.00 0.00 61.79 60.48 3ixw h SER 349 Cb 1.55 -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 -1.29 0.71 -1.14 0.00 0.00 176.83 176.05 3ixw h THR 350 N 0.08 1.09 0.00 -2.27 1.35 -1.77 -3.43 112.91 107.96 3ixw h THR 350 Ca -0.02 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 3ixw h THR 350 Cb 1.35 2.74 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 -4.01 0.00 -0.11 5.36 3.41 -0.18 -2.92 113.62 115.17 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 65.10 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 -2.15 0.74 -0.05 1.04 4.32 -1.26 -3.81 117.00 115.83 3ixw n LEU 352 Ca 0.00 -0.12 -0.13 0.00 -0.02 0.00 0.00 56.01 55.73 3ixw n LEU 352 Cb 0.00 -0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 41.54 3ixw n LEU 352 CO 0.00 0.16 0.57 0.08 -1.22 0.00 0.00 177.39 176.97 3ixw h ARG 353 N 0.53 0.36 -6.26 3.23 0.11 -1.62 -3.43 114.38 107.30 3ixw h ARG 353 Ca 0.00 -0.21 -0.56 0.00 0.10 0.00 0.00 59.98 59.31 3ixw h ARG 353 Cb 0.50 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 3ixw h ARG 353 CO 0.00 0.78 1.12 0.34 0.10 0.00 0.00 179.97 182.31 3ixw s ASP 354 N -6.18 6.47 0.47 0.08 2.15 -1.25 -4.89 116.67 113.51 3ixw s ASP 354 Ca -0.14 1.87 0.20 0.00 0.43 0.00 0.00 52.55 54.90 3ixw s ASP 354 Cb 0.05 -2.53 1.19 0.00 -0.30 0.00 0.00 42.92 41.33 3ixw s ASP 354 CO 0.76 -1.15 1.95 -0.65 -0.17 0.00 0.00 175.17 175.91 3ixw h PRO 355 N 10.38 0.24 0.00 4.34 0.11 -1.90 -1.14 132.00 144.02 3ixw h PRO 355 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3ixw h PRO 355 Cb 1.16 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ixw h PRO 355 CO 0.98 0.16 -0.06 -0.84 -0.21 0.00 0.00 178.00 178.03 3ixw h ILE 356 N 0.25 0.44 -0.87 4.15 -0.00 -1.91 -3.08 117.51 116.48 3ixw h ILE 356 Ca 0.32 -0.28 0.22 0.00 -0.00 0.00 0.00 64.86 65.12 3ixw h ILE 356 Cb 0.91 1.19 -0.15 0.00 -0.00 0.00 0.00 36.82 38.77 3ixw h ILE 356 CO -0.07 0.05 0.05 0.15 -0.00 0.00 0.00 178.15 178.34 3ixw h PHE 357 N 0.00 0.02 0.00 0.16 3.57 -1.49 0.95 116.94 120.16 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 -0.35 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 0.97 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 3ixw h TYR 358 CO -0.43 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 -0.95 0.50 114.38 121.72 3ixw h ARG 359 Ca -0.01 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3ixw h ARG 359 Cb 1.30 -0.10 -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 0.44 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 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 3ixw h TRP 360 Cb 0.06 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 -0.81 0.45 -1.03 0.00 0.00 178.44 177.30 3ixw h HIS 361 N 0.00 0.00 -0.01 2.65 3.86 -0.78 -1.35 115.15 119.52 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 0.06 -0.78 0.00 0.86 0.00 0.00 177.93 178.07 3ixw h ARG 362 N 0.00 0.12 0.76 2.45 2.47 -1.02 -2.61 114.38 116.55 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 1.06 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.42 3ixw h ARG 362 CO 0.01 0.84 -0.37 0.35 0.56 0.00 0.00 179.97 181.36 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 1.37 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 40.36 3ixw h PHE 363 CO 0.02 -0.58 0.64 -0.84 -2.23 0.00 0.00 178.31 175.32 3ixw h ILE 364 N -1.12 1.12 -0.94 1.41 3.07 -1.40 0.75 117.51 120.40 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 -0.19 -0.07 0.00 -0.27 0.00 0.00 36.82 37.10 3ixw h ILE 364 CO 0.17 0.22 0.61 -0.78 -1.05 0.00 0.00 178.15 177.32 3ixw h ASP 365 N 1.20 0.90 -0.49 2.16 3.58 -1.11 -1.63 116.42 121.05 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 0.10 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3ixw h ASP 365 CO -0.15 0.54 0.19 0.78 -2.88 0.00 0.00 179.24 177.72 3ixw h ASN 366 N 1.00 0.71 0.12 2.28 2.35 0.28 0.43 115.58 122.75 3ixw h ASN 366 Ca 0.43 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3ixw h ASN 366 Cb 0.33 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3ixw h ASN 366 CO -0.19 0.66 -0.06 0.40 -1.65 0.00 0.00 177.43 176.60 3ixw h ILE 367 N 0.77 1.02 -0.84 2.81 2.04 -0.84 -0.94 117.51 121.53 3ixw h ILE 367 Ca 0.18 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.55 3ixw h ILE 367 Cb 0.19 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 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 -0.41 0.98 -0.72 1.37 0.04 -0.50 0.08 116.94 117.78 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 0.36 1.96 -0.60 0.00 0.00 178.31 180.59 3ixw h GLN 369 N 1.00 1.03 -0.93 1.51 1.08 -0.08 -0.75 115.11 117.97 3ixw h GLN 369 Ca 0.34 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3ixw h GLN 369 Cb 0.11 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 3ixw h GLN 369 CO -0.11 0.78 0.56 0.93 -0.95 0.00 0.00 178.83 180.04 3ixw h GLU 370 N 1.02 1.26 -0.21 1.46 5.08 0.45 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 0.09 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3ixw h GLU 370 CO -0.03 0.89 -0.20 1.25 -1.00 0.00 0.00 179.01 179.91 3ixw h HIS 371 N 1.28 0.61 -0.87 4.33 2.76 -0.87 0.37 115.15 122.77 3ixw h HIS 371 Ca 0.33 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 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 0.85 0.54 0.87 -1.30 0.00 0.00 177.93 178.90 3ixw h LYS 372 N 0.18 1.16 -0.57 5.26 1.79 -1.17 -3.09 116.57 120.13 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 0.75 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 3ixw h LYS 372 CO 0.05 0.80 0.22 0.87 -1.08 0.00 0.00 179.45 180.31 3ixw h LYS 373 N 1.19 0.84 0.00 3.15 1.57 0.51 -2.27 116.57 121.55 3ixw h LYS 373 Ca 0.31 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3ixw h LYS 373 Cb -0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3ixw h LYS 373 CO -0.06 0.69 -0.25 0.66 -0.57 0.00 0.00 179.45 179.92 3ixw h SER 374 N 0.82 0.00 -4.16 0.86 4.64 -0.93 -3.43 113.55 111.35 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 62.36 3ixw h SER 374 CO -0.02 0.25 0.40 -0.36 -0.87 0.00 0.00 176.83 176.23 3ixw s PHE 375 N -3.60 2.60 0.26 4.77 0.08 -0.86 -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 39.24 3ixw s PHE 375 CO 0.65 -1.72 0.65 -1.01 -0.10 0.00 0.00 175.22 173.70 3ixw s HIS 376 N -2.11 3.45 1.06 0.36 3.76 -1.26 -4.71 115.29 115.84 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 31.03 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 -0.02 -0.93 -3.22 8.40 -0.02 -1.26 -4.80 135.00 133.16 3ixw n PRO 377 Ca 0.01 -0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 60.84 3ixw n PRO 377 Cb 0.52 -1.49 -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 0.93 -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 1.11 2.05 0.33 -0.71 2.01 -1.26 -4.84 115.64 114.32 3ixw s THR 379 Ca 0.28 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3ixw s THR 379 Cb -0.16 -3.02 0.28 0.00 0.01 0.00 0.00 72.50 69.62 3ixw s THR 379 CO 0.11 -0.00 1.95 0.11 -0.69 0.00 0.00 174.62 176.10 3ixw h LYS 380 N 1.01 0.90 -0.14 4.92 1.57 -1.97 -0.10 116.57 122.75 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 -0.20 -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 0.93 -0.42 -0.97 3.15 4.57 -1.93 -1.37 114.58 118.54 3ixw h GLU 381 Ca 0.33 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.64 3ixw h GLU 381 Cb 0.13 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.74 3ixw h GLU 381 CO -0.11 -0.28 0.60 1.49 -1.18 0.00 0.00 179.01 179.54 3ixw h GLU 382 N -0.43 0.97 0.00 1.92 4.57 -1.80 -0.76 114.58 119.05 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 0.52 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3ixw h GLU 382 CO -0.36 0.64 0.00 1.28 -1.18 0.00 0.00 179.01 179.39 3ixw n LEU 383 N -4.62 0.44 -4.43 1.64 4.77 -0.10 -4.76 117.00 109.95 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 0.30 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 3ixw n LEU 383 CO 0.28 -0.35 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.43 3ixw s SER 384 N -3.83 5.90 -0.49 -1.43 0.01 -0.29 -4.90 113.70 108.67 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 1.49 0.12 0.41 0.00 0.00 173.24 175.28 3ixw s PHE 385 N 1.62 2.22 0.20 2.43 5.36 -1.26 -4.98 117.98 123.58 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 -2.10 1.55 -2.14 -1.46 0.00 0.00 175.22 171.15 3ixw s PRO 386 N 5.46 4.21 0.00 10.12 0.02 -1.26 -3.80 135.00 149.76 3ixw s PRO 386 Ca 0.59 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3ixw s PRO 386 Cb -0.13 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.26 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 3.24 2.58 3.67 0.52 0.00 -1.26 -4.96 105.19 108.98 3ixw n GLY 387 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.99 120.40 122.03 3ixw s VAL 388 Ca 0.00 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.75 3ixw s VAL 388 Cb 0.00 -4.22 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 2.25 3.00 -0.78 2.72 2.12 -0.12 -4.22 118.70 123.68 3ixw s GLU 389 Ca 0.42 -0.89 -0.26 0.00 0.36 0.00 0.00 54.97 54.60 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 0.87 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 0.00 175.10 176.74 3ixw n VAL 391 N 8.20 0.75 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 0.37 1.55 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 44.32 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 -1.70 0.34 -0.08 1.61 1.01 -1.26 -0.18 120.40 120.14 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 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.92 3ixw s VAL 393 CO 0.00 -0.02 0.83 -0.44 0.00 0.00 0.00 175.10 175.47 3ixw s SER 394 N -3.25 -0.50 -0.13 3.32 0.01 -0.91 -4.94 113.70 107.30 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 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 3ixw s SER 394 CO 0.13 -0.53 -0.10 0.27 0.41 0.00 0.00 173.24 173.42 3ixw s ILE 395 N -1.57 3.36 -0.39 1.44 -4.36 -1.26 -2.24 121.20 116.18 3ixw s ILE 395 Ca -0.04 -0.56 -0.05 0.00 -0.26 0.00 0.00 60.65 59.74 3ixw s ILE 395 Cb -0.00 -2.43 0.08 0.00 1.25 0.00 0.00 42.46 41.36 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 0.22 5.33 0.00 4.36 -0.87 -1.19 -0.25 114.94 122.54 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 39.21 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 63.95 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 -3.47 116.57 109.40 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 0.00 179.45 176.91 3ixw s THR 399 N -4.28 0.55 0.45 1.00 2.01 -1.26 -5.15 115.64 108.95 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 0.00 174.62 175.72 3ixw s ALA 400 N -3.31 2.97 -0.68 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 -0.30 0.00 0.09 0.00 0.00 0.00 175.76 175.71 3ixw n ASN 401 N -0.55 -2.49 -4.30 0.00 3.02 0.66 -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 -2.28 -0.13 0.00 -0.61 0.00 0.00 39.78 37.27 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 1.84 0.14 2.41 -7.23 -1.26 -0.87 120.40 113.30 3ixw s VAL 402 Ca 0.00 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 58.79 3ixw s VAL 402 Cb 0.00 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 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 2.57 -0.14 -0.62 2.07 0.95 -4.26 121.20 120.74 3ixw s ILE 403 Ca 0.09 -1.70 0.01 0.00 -1.41 0.00 0.00 60.65 57.63 3ixw s ILE 403 Cb -0.10 -2.18 0.02 0.00 0.13 0.00 0.00 42.46 40.33 3ixw s ILE 403 CO 0.04 0.04 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.08 3ixw s THR 404 N -1.25 1.56 0.31 4.00 2.01 -1.26 -1.27 115.64 119.75 3ixw s THR 404 Ca 0.18 -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 0.00 174.62 175.30 3ixw s THR 405 N 1.40 5.08 0.32 -0.82 -1.32 -0.02 0.24 115.64 120.51 3ixw s THR 405 Ca 0.03 -0.22 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 3ixw s THR 405 Cb -0.13 -3.79 -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 1.71 -0.13 9.08 1.02 -1.07 -0.78 118.68 124.61 3ixw s LEU 406 Ca 0.42 -1.59 -0.06 0.00 0.02 0.00 0.00 54.13 52.92 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 5.00 -0.14 -0.59 -1.16 -1.26 -0.29 121.20 119.21 3ixw s ILE 407 Ca 0.35 0.02 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 3ixw s ILE 407 Cb 0.04 -3.18 0.04 0.00 0.61 0.00 0.00 42.46 39.97 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 1.30 0.51 3.50 2.20 0.66 -4.93 119.74 122.39 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 -1.77 -0.06 0.00 -1.51 0.00 0.00 37.83 34.37 3ixw s LYS 408 CO 0.02 -0.38 1.21 -1.83 -0.36 0.00 0.00 175.35 174.00 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 0.75 0.45 0.95 0.00 0.00 175.26 176.50 3ixw n SER 410 N -0.92 -2.19 -4.33 0.83 2.88 0.63 -4.93 113.62 105.60 3ixw n SER 410 Ca 0.10 -2.63 -0.17 0.00 -1.33 0.00 0.00 58.87 54.83 3ixw n SER 410 Cb 0.48 3.68 -0.10 0.00 -0.75 0.00 0.00 64.21 67.52 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 -0.34 118.68 123.12 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 -0.40 0.50 -0.22 0.23 0.00 0.00 176.35 176.59 3ixw s LEU 412 N -3.29 -0.50 -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 48.49 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 1.85 3.18 0.27 1.98 2.12 -1.26 -2.15 118.70 124.67 3ixw s GLU 413 Ca -0.08 -1.11 -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 -1.75 1.83 -0.07 -0.54 0.00 0.00 175.26 174.58 3ixw h LEU 414 N 10.87 0.86 -0.47 2.70 3.38 -0.77 -3.19 115.31 128.69 3ixw h LEU 414 Ca -0.21 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 57.78 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 0.80 0.12 -1.20 0.09 0.00 0.00 178.44 179.40 3ixw n SER 415 N -4.28 0.04 -0.05 -0.43 7.64 -1.25 -0.16 113.62 115.13 3ixw n SER 415 Ca 0.05 0.80 -0.12 0.00 1.01 0.00 0.00 58.87 60.61 3ixw n SER 415 Cb 0.20 -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 0.28 0.13 1.43 3.86 -1.75 -3.35 115.15 115.74 3ixw h HIS 416 Ca 0.34 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 3ixw h HIS 416 Cb 0.81 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3ixw h HIS 416 CO -0.14 0.47 -0.06 0.78 0.86 0.00 0.00 177.93 179.84 3ixw h GLY 417 N 0.00 -0.18 -2.01 2.45 0.00 0.20 -3.31 103.07 100.23 3ixw h GLY 417 Ca 0.04 0.07 -0.50 0.00 0.00 0.00 0.00 47.33 46.94 3ixw h GLY 417 CO 0.01 -0.07 -0.33 -0.26 0.00 0.00 0.00 176.54 175.89 3ixw s ILE 418 N -2.98 2.50 -0.60 2.60 -0.00 0.07 -4.74 121.20 118.04 3ixw s ILE 418 Ca -0.11 -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 1.12 0.21 -0.00 0.00 0.00 174.94 176.70 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 -1.47 1.96 2.19 -3.72 0.00 0.00 177.10 176.34 3ixw h PHE 420 N 9.56 1.09 0.00 0.43 -5.15 -1.92 -3.46 116.94 117.49 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 1.01 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 -4.08 105.19 106.10 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 -5.13 114.28 107.69 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 -1.28 0.26 0.00 -2.10 0.00 0.00 70.33 67.21 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 -4.26 0.43 0.02 3.42 1.47 -1.21 -4.75 116.67 111.79 3ixw s ASP 423 Ca 0.00 1.22 -0.26 0.00 1.18 0.00 0.00 52.55 54.70 3ixw s ASP 423 Cb 0.00 -1.86 -0.17 0.00 -0.34 0.00 0.00 42.92 40.55 3ixw s ASP 423 CO 0.00 -4.50 1.36 1.56 0.68 0.00 0.00 175.17 174.27 3ixw h GLN 424 N -2.83 -0.30 -2.25 2.11 4.20 -1.51 -3.48 115.11 111.05 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 0.44 -0.01 -0.02 0.45 -0.67 0.00 0.00 178.83 179.02 3ixw s SER 425 N -5.15 -0.69 -0.19 1.46 0.15 -1.26 -4.93 113.70 103.10 3ixw s SER 425 Ca -0.15 1.25 -0.00 0.00 0.70 0.00 0.00 55.95 57.75 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 0.59 -0.22 -0.15 0.68 1.20 0.00 0.00 173.24 175.35 3ixw s VAL 426 N 0.69 2.48 -0.05 4.45 -7.23 -1.26 -0.80 120.40 118.68 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 1.31 2.49 -0.43 4.82 -0.14 0.18 -0.00 119.74 127.95 3ixw s LYS 427 Ca 0.04 -0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 3ixw s LYS 427 Cb -0.14 -2.15 0.06 0.00 -1.68 0.00 0.00 37.83 33.92 3ixw s LYS 427 CO -0.09 0.41 0.31 0.54 -0.76 0.00 0.00 175.35 175.77 3ixw s VAL 428 N -0.24 4.89 -0.36 3.17 0.11 -0.92 -0.41 120.40 126.64 3ixw s VAL 428 Ca -0.01 -1.03 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 3ixw s VAL 428 Cb -0.13 -3.87 -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 1.58 3.45 0.50 1.54 2.20 0.11 -2.82 119.74 126.30 3ixw s LYS 429 Ca 0.04 1.22 0.06 0.00 -0.36 0.00 0.00 55.97 56.93 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 -1.71 0.40 1.52 -0.36 0.00 0.00 175.35 175.26 3ixw s TYR 430 N 6.19 1.96 -0.08 4.03 1.13 0.54 -0.24 117.35 130.88 3ixw s TYR 430 Ca 0.71 -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 1.45 0.15 -3.49 3.76 -1.26 -0.26 115.29 112.96 3ixw s HIS 431 Ca 0.39 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 3ixw s HIS 431 Cb -0.02 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 3ixw s HIS 431 CO 0.24 -0.37 -0.14 -3.38 -0.85 0.00 0.00 174.74 170.24 3ixw s HIS 432 N 1.09 1.48 0.54 1.40 -3.43 0.16 -4.93 115.29 111.60 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 -2.85 3.69 0.00 5.38 2.96 -1.26 -0.25 118.68 126.36 3ixw s LEU 433 Ca 0.15 1.97 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 0.00 176.35 173.33 3ixw n ASP 434 N -1.45 0.00 -3.48 3.68 -0.08 0.60 -4.60 116.55 111.22 3ixw n ASP 434 Ca 0.10 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.23 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 -1.54 -0.60 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 1.83 -0.11 0.00 0.36 0.00 0.00 54.97 57.00 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 0.00 175.26 172.63 3ixw s PRO 437 N -3.19 1.03 0.15 4.30 0.02 -1.26 -4.78 135.00 131.27 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 -2.55 0.92 -0.59 -0.33 0.00 0.00 177.00 174.79 3ixw s PHE 438 N -2.70 -0.16 0.17 6.54 -0.71 -1.26 -4.57 117.98 115.29 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 1.50 -0.10 -4.49 -1.32 -1.21 -0.47 115.64 106.21 3ixw s THR 439 Ca 0.11 -2.07 -0.15 0.00 -1.21 0.00 0.00 61.69 58.38 3ixw s THR 439 Cb -0.02 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 3ixw s THR 439 CO 0.01 -0.60 0.36 -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 0.78 -0.03 0.00 -0.37 0.00 0.00 57.07 57.63 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 -0.01 4.17 -0.13 2.29 3.84 -0.95 -1.78 114.94 122.38 3ixw s ASN 441 Ca 0.21 -0.59 0.01 0.00 0.21 0.00 0.00 52.86 52.70 3ixw s ASN 441 Cb -0.14 -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 1.41 1.56 -0.07 -5.21 1.10 -0.37 -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 -1.43 -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 1.17 4.91 0.00 4.00 1.01 0.74 -0.79 120.40 131.44 3ixw s VAL 443 Ca -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3ixw s VAL 443 Cb -0.14 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 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 0.15 -0.56 2.92 1.01 0.12 0.76 120.40 123.74 3ixw s VAL 444 Ca 0.18 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3ixw s VAL 444 Cb -0.12 -0.15 0.14 0.00 0.00 0.00 0.00 36.38 36.25 3ixw s VAL 444 CO 0.07 -0.02 0.43 -0.70 0.00 0.00 0.00 175.10 174.88 3ixw s GLU 445 N -0.21 2.66 -1.15 2.72 2.56 0.17 -0.18 118.70 125.26 3ixw s GLU 445 Ca -0.01 -2.06 -0.20 0.00 0.00 0.00 0.00 54.97 52.70 3ixw s GLU 445 Cb -0.02 -3.95 0.07 0.00 2.00 0.00 0.00 34.13 32.23 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 2.10 6.69 0.33 -1.70 2.47 0.01 -0.94 114.94 123.91 3ixw s ASN 446 Ca 0.10 -2.01 0.09 0.00 0.42 0.00 0.00 52.86 51.46 3ixw s ASN 446 Cb -0.22 -2.56 0.81 0.00 -1.45 0.00 0.00 41.25 37.83 3ixw s ASN 446 CO -0.03 -1.29 1.81 0.78 -3.72 0.00 0.00 177.10 174.65 3ixw h ASN 447 N 8.61 0.70 -0.31 -4.21 2.35 -1.83 -0.46 115.58 120.43 3ixw h ASN 447 Ca 0.32 0.08 -0.33 0.00 -0.55 0.00 0.00 56.30 55.81 3ixw h ASN 447 Cb 0.94 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 39.19 3ixw h ASN 447 CO 1.42 0.27 1.46 -1.54 -1.65 0.00 0.00 177.43 177.39 3ixw n SER 448 N -4.67 0.25 0.00 5.81 3.41 -1.26 -4.78 113.62 112.37 3ixw n SER 448 Ca 0.22 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3ixw n SER 448 Cb 0.58 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 3ixw n SER 448 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ixw n GLY 449 N 6.12 -0.11 3.61 5.00 0.00 -1.26 -3.89 105.19 114.65 3ixw n GLY 449 Ca 0.58 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 3ixw n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixw s ALA 450 N -1.97 3.23 -0.03 4.61 0.00 -1.26 -4.89 121.76 121.44 3ixw s ALA 450 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 51.96 50.81 3ixw s ALA 450 Cb 0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 23.12 21.30 3ixw s ALA 450 CO 0.00 0.34 1.00 0.39 0.00 0.00 0.00 175.76 177.49 3ixw n GLU 451 N 3.02 0.00 -3.99 0.00 1.02 -1.25 -4.72 120.64 114.71 3ixw n GLU 451 Ca -0.18 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 3ixw n GLU 451 Cb 0.53 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.21 3.71 -0.25 3.49 2.47 0.17 -4.87 119.74 124.67 3ixw s LYS 452 Ca 0.83 -0.28 -0.12 0.00 -1.56 0.00 0.00 55.97 54.83 3ixw s LYS 452 Cb -1.16 -3.17 -0.05 0.00 -1.46 0.00 0.00 37.83 32.00 3ixw s LYS 452 CO 0.53 0.48 0.25 -1.01 0.16 0.00 0.00 175.35 175.76 3ixw s HIS 453 N -0.20 3.29 0.32 4.03 3.76 -1.26 0.26 115.29 125.48 3ixw s HIS 453 Ca 0.09 0.30 0.09 0.00 -0.15 0.00 0.00 55.06 55.39 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 0.00 174.74 172.29 3ixw s SER 454 N 1.36 4.25 -0.19 1.40 1.04 0.08 -1.59 113.70 120.05 3ixw s SER 454 Ca 0.11 -0.89 0.00 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 2.26 -0.44 2.02 2.01 0.88 -2.72 115.64 117.19 3ixw s THR 455 Ca 0.34 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 3ixw s THR 455 Cb -0.02 -2.00 0.06 0.00 0.01 0.00 0.00 72.50 70.54 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 0.57 -0.60 120.40 131.18 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 -3.94 -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 0.00 175.10 174.73 3ixw s ARG 457 N 1.61 3.62 -0.05 2.72 0.52 -0.21 -1.85 118.95 125.30 3ixw s ARG 457 Ca 0.04 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 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 -0.47 -0.12 0.42 0.02 0.00 0.00 175.30 175.22 3ixw s ILE 458 N 1.96 3.22 0.16 1.52 1.01 0.19 -0.42 121.20 128.84 3ixw s ILE 458 Ca 0.11 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.15 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 0.35 117.98 123.48 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 -3.12 1.15 0.42 -0.37 2.96 0.12 -0.32 118.68 119.50 3ixw s LEU 460 Ca 0.17 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3ixw s LEU 460 Cb 0.01 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 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 2.94 0.00 5.97 0.00 0.41 -0.23 121.76 132.27 3ixw s ALA 461 Ca -0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 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 3.93 -0.02 0.00 0.04 -1.26 -0.32 135.00 133.69 3ixw s PRO 462 Ca 0.23 0.43 -0.00 0.00 0.04 0.00 0.00 61.00 61.70 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 0.75 -0.22 0.04 0.00 0.00 177.00 178.42 3ixw h LYS 463 N 4.69 0.20 -7.27 4.56 3.64 -1.70 -3.45 116.57 117.24 3ixw h LYS 463 Ca -0.52 -0.34 -0.49 0.00 -1.27 0.00 0.00 60.65 58.04 3ixw h LYS 463 Cb 1.22 0.12 0.04 0.00 -0.41 0.00 0.00 32.23 33.20 3ixw h LYS 463 CO 0.61 1.01 0.39 0.71 -2.27 0.00 0.00 179.45 179.91 3ixw s TYR 464 N -2.61 3.51 0.08 1.91 2.02 -1.24 -3.59 117.35 117.43 3ixw s TYR 464 Ca -0.10 1.39 0.01 0.00 -0.37 0.00 0.00 57.07 58.00 3ixw s TYR 464 Cb 0.07 -2.77 0.01 0.00 -0.40 0.00 0.00 41.96 38.87 3ixw s TYR 464 CO 0.83 -0.55 0.08 -3.47 -1.57 0.00 0.00 175.55 170.87 3ixw n ASP 465 N -2.14 0.88 0.01 2.29 2.03 0.18 -4.75 116.55 115.05 3ixw n ASP 465 Ca 0.06 -1.26 0.12 0.00 0.52 0.00 0.00 54.79 54.24 3ixw n ASP 465 Cb 0.54 -0.03 0.28 0.00 -0.72 0.00 0.00 41.12 41.20 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 -0.88 0.03 0.00 -0.67 0.00 -1.26 -4.23 120.64 113.62 3ixw n GLU 466 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3ixw n GLU 466 Cb 0.09 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.57 1.30 0.00 -1.84 7.99 -1.26 -5.11 117.00 116.52 3ixw n LEU 467 Ca 0.05 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 3ixw n LEU 467 Cb 0.35 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 3ixw n LEU 467 CO 0.34 -0.19 0.00 -3.20 -1.51 0.00 0.00 177.39 172.83 3ixw n ASN 468 N -1.07 0.00 -4.56 -1.43 2.85 -1.26 -5.11 115.26 104.69 3ixw n ASN 468 Ca 0.00 -0.66 -0.35 0.00 -0.11 0.00 0.00 54.58 53.46 3ixw n ASN 468 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 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 0.03 5.64 -0.29 1.20 3.04 -1.26 -0.65 114.94 122.64 3ixw s ASN 469 Ca 0.00 -0.58 -0.00 0.00 0.04 0.00 0.00 52.86 52.32 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 -2.24 0.07 -1.59 -3.04 0.00 0.00 177.10 170.30 3ixw s LYS 470 N 6.36 0.93 0.00 0.43 -2.85 -1.24 -4.88 119.74 118.49 3ixw s LYS 470 Ca 0.59 -1.12 -0.02 0.00 -1.00 0.00 0.00 55.97 54.42 3ixw s LYS 470 Cb -0.07 -2.26 -0.08 0.00 -2.06 0.00 0.00 37.83 33.37 3ixw s LYS 470 CO 0.05 -0.90 2.01 1.28 0.10 0.00 0.00 175.35 177.89 3ixw n LEU 471 N 4.76 3.99 -4.55 2.77 4.77 -1.26 -4.79 117.00 122.67 3ixw n LEU 471 Ca -0.03 -2.08 -0.39 0.00 -0.03 0.00 0.00 56.01 53.48 3ixw n LEU 471 Cb 0.43 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 3ixw n LEU 471 CO 0.14 0.91 1.56 -1.61 -1.33 0.00 0.00 177.39 177.06 3ixw s GLU 472 N 0.88 2.74 0.32 3.23 2.02 -1.22 -1.56 118.70 125.11 3ixw s GLU 472 Ca 0.19 0.62 0.12 0.00 0.02 0.00 0.00 54.97 55.92 3ixw s GLU 472 Cb 0.09 -4.35 0.55 0.00 0.10 0.00 0.00 34.13 30.52 3ixw s GLU 472 CO 0.00 -2.60 1.72 -1.00 0.02 0.00 0.00 175.26 173.40 3ixw h PRO 473 N 14.36 0.00 -0.28 0.39 0.13 -1.79 0.16 132.00 144.97 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 -0.02 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 0.89 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.74 3ixw h ASP 474 CO 0.06 0.70 0.37 -0.33 -2.88 0.00 0.00 179.24 177.16 3ixw h GLU 475 N 0.27 0.63 0.00 0.28 5.08 -1.86 -2.87 114.58 116.11 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 29.56 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 -0.02 2.33 4.20 -0.14 -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 0.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 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 -0.62 0.21 114.38 118.52 3ixw h ARG 477 Ca -0.00 0.00 -0.08 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 -0.40 0.00 -1.07 0.00 0.00 179.97 178.51 3ixw h ARG 478 N 0.00 0.00 0.02 0.04 2.47 -1.72 -3.32 114.38 111.88 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 0.07 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 3ixw h ARG 478 CO -0.00 0.40 -2.31 1.28 0.56 0.00 0.00 179.97 179.91 3ixw n LEU 479 N -3.50 1.79 -4.69 3.04 7.99 0.03 -4.29 117.00 117.37 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 -0.39 -0.09 0.00 -0.11 0.00 0.00 43.42 43.37 3ixw n LEU 479 CO 0.37 0.74 1.27 0.49 -1.51 0.00 0.00 177.39 178.75 3ixw n PHE 480 N -3.11 1.79 -5.11 -1.77 3.72 0.53 -4.53 117.46 108.98 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 3.55 1.86 -0.28 4.37 -4.36 0.68 -4.94 121.20 122.08 3ixw s ILE 481 Ca 1.05 -0.94 -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 40.76 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 0.08 4.03 0.15 0.37 2.12 -1.26 0.11 118.70 124.30 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 30.39 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 10.37 0.00 -7.00 2.70 7.12 -0.42 -3.48 115.31 124.60 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 0.00 178.44 179.68 3ixw s ASP 484 N -5.85 -0.34 -0.28 1.25 -1.08 -1.14 -4.33 116.67 104.89 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 42.05 3ixw s ASP 484 CO 0.79 -0.51 0.54 -0.75 0.52 0.00 0.00 175.17 175.75 3ixw s LYS 485 N -2.61 0.51 0.29 4.34 2.20 -1.24 -0.64 119.74 122.59 3ixw s LYS 485 Ca 0.04 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.56 3ixw s LYS 485 Cb -0.01 0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 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 -4.77 117.98 119.93 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 -0.52 -0.02 0.12 -1.34 0.00 0.00 175.22 173.27 3ixw s PHE 487 N -3.67 3.06 0.18 3.49 5.36 -1.26 -0.32 117.98 124.82 3ixw s PHE 487 Ca 0.36 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.15 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 0.00 175.22 173.51 3ixw s TYR 488 N 0.23 1.24 -0.04 10.12 5.04 -1.10 -4.97 117.35 127.86 3ixw s TYR 488 Ca -0.02 -1.05 0.07 0.00 -2.44 0.00 0.00 57.07 53.63 3ixw s TYR 488 Cb -0.14 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.45 3ixw s TYR 488 CO 0.02 -0.25 -0.25 0.99 -1.34 0.00 0.00 175.55 174.73 3ixw s THR 489 N -3.69 2.00 -0.22 4.34 2.01 -1.26 -0.74 115.64 118.07 3ixw s THR 489 Ca 0.26 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.21 3ixw s THR 489 Cb 0.06 -1.68 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 -1.03 -0.13 0.00 0.02 0.00 0.00 54.13 53.01 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 -1.25 -4.61 135.00 129.11 3ixw n PRO 492 Ca 0.05 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3ixw n PRO 492 Cb 0.57 -2.21 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 1.04 -0.93 3.65 -1.23 0.00 -0.18 -4.81 105.19 102.72 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 3.98 0.04 1.61 3.01 -1.25 -0.81 119.74 126.34 3ixw s LYS 494 Ca 0.00 2.20 0.08 0.00 -1.01 0.00 0.00 55.97 57.24 3ixw s LYS 494 Cb 0.00 -4.09 -0.03 0.00 -1.01 0.00 0.00 37.83 32.70 3ixw s LYS 494 CO 0.00 -1.10 -0.24 -0.80 0.51 0.00 0.00 175.35 173.72 3ixw s ASN 495 N 4.36 2.86 -0.02 2.83 0.02 0.74 -4.94 114.94 120.79 3ixw s ASN 495 Ca 0.80 -0.56 0.07 0.00 -1.02 0.00 0.00 52.86 52.16 3ixw s ASN 495 Cb -0.34 -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 -0.79 1.95 0.01 1.60 -4.23 -1.26 0.12 115.64 113.04 3ixw s THR 496 Ca 0.10 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 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 -0.55 2.33 -0.06 2.99 1.01 0.03 -4.96 121.20 121.99 3ixw s ILE 497 Ca 0.09 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.61 3ixw s ILE 497 Cb -0.10 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.50 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 -1.24 120.40 122.34 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 0.42 -0.03 0.12 2.72 6.06 -0.73 -4.93 118.95 122.58 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 34.38 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 0.81 0.00 1.28 0.00 0.00 41.25 40.90 3ixw s ASN 500 CO -0.04 0.16 1.03 1.57 -2.04 0.00 0.00 177.10 177.78 3ixw n HIS 501 N 1.10 0.70 -0.25 1.54 -0.00 0.38 -2.90 115.22 115.79 3ixw n HIS 501 Ca -0.07 0.77 -0.07 0.00 -0.00 0.00 0.00 57.72 58.36 3ixw n HIS 501 Cb 0.51 -1.16 0.06 0.00 -0.00 0.00 0.00 29.99 29.41 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 1.12 -0.92 1.57 1.08 -1.94 -2.95 115.11 113.08 3ixw h GLN 502 Ca 0.52 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 3ixw h GLN 502 Cb 1.34 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 3ixw h GLN 502 CO -0.53 0.98 0.03 -0.25 -0.95 0.00 0.00 178.83 178.12 3ixw n ASP 503 N -4.24 2.40 -4.67 1.46 8.00 -1.14 -4.89 116.55 113.47 3ixw n ASP 503 Ca 0.05 -2.27 -0.46 0.00 0.71 0.00 0.00 54.79 52.82 3ixw n ASP 503 Cb 0.25 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 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 -0.16 -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 3.63 0.22 -0.00 -3.46 7.64 -1.26 -3.50 113.62 116.88 3ixw n SER 505 Ca 0.17 -1.34 0.05 0.00 1.01 0.00 0.00 58.87 58.77 3ixw n SER 505 Cb 0.29 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 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 -4.02 0.44 0.24 -1.26 -0.47 118.33 112.99 3ixw n VAL 506 Ca 0.00 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.34 61.79 3ixw n VAL 506 Cb 0.06 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.29 4.88 0.22 3.34 -4.23 -1.23 -1.36 115.64 114.97 3ixw s THR 507 Ca 0.01 -0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 3ixw s THR 507 Cb 0.07 -3.51 -0.08 0.00 1.34 0.00 0.00 72.50 70.32 3ixw s THR 507 CO 0.43 -0.11 0.69 -0.51 -0.54 0.00 0.00 174.62 174.57 3ixw s ILE 508 N -1.76 4.64 0.00 2.99 1.10 -0.16 -2.91 121.20 125.10 3ixw s ILE 508 Ca 0.33 1.14 0.00 0.00 -0.51 0.00 0.00 60.65 61.61 3ixw s ILE 508 Cb -0.10 -3.80 0.00 0.00 0.15 0.00 0.00 42.46 38.70 3ixw s ILE 508 CO 0.26 0.16 0.00 -1.54 -2.11 0.00 0.00 174.94 171.71 3ixw n SER 509 N 0.59 0.00 -4.52 4.50 3.41 -1.26 -4.15 113.62 112.19 3ixw n SER 509 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 3ixw n SER 509 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 3ixw n SER 509 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ixw s LYS 510 N 0.00 2.65 0.00 4.33 -0.14 -1.26 -4.89 119.74 120.42 3ixw s LYS 510 Ca 0.00 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3ixw s LYS 510 Cb 0.00 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 3ixw s LYS 510 CO 0.00 0.63 0.00 1.55 -0.76 0.00 0.00 175.35 176.77 3ixw n VAL 511 N 2.31 0.00 -3.68 3.17 3.14 -1.26 -5.01 118.33 117.00 3ixw n VAL 511 Ca -0.18 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.10 3ixw n VAL 511 Cb 0.53 -0.99 -0.05 0.00 -1.06 0.00 0.00 33.84 32.26 3ixw n VAL 511 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3ixw s ARG 512 N -0.40 1.02 0.45 1.45 1.81 -1.26 -5.11 118.95 116.91 3ixw s ARG 512 Ca 0.00 -0.76 0.07 0.00 -1.72 0.00 0.00 55.73 53.33 3ixw s ARG 512 Cb 0.00 0.44 -0.00 0.00 -0.45 0.00 0.00 34.95 34.94 3ixw s ARG 512 CO 0.00 -0.39 0.42 -0.08 -0.68 0.00 0.00 175.30 174.57 3ixw s THR 513 N -3.82 2.46 0.38 0.02 -1.32 -1.26 -4.94 115.64 107.16 3ixw s THR 513 Ca 0.03 -1.33 0.14 0.00 -1.21 0.00 0.00 61.69 59.32 3ixw s THR 513 Cb 0.02 -2.78 0.36 0.00 -1.51 0.00 0.00 72.50 68.59 3ixw s THR 513 CO -0.12 0.00 1.81 0.15 -2.21 0.00 0.00 174.62 174.25 3ixw h PHE 514 N 0.90 0.74 -0.00 9.09 3.04 -1.99 0.46 116.94 129.17 3ixw h PHE 514 Ca -0.40 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.58 3ixw h PHE 514 Cb 1.27 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.56 3ixw h PHE 514 CO 0.58 0.16 -0.24 -0.25 -2.02 0.00 0.00 178.31 176.55 3ixw n ASP 515 N -4.61 0.38 -0.06 0.41 8.00 -1.26 -0.72 116.55 118.69 3ixw n ASP 515 Ca 0.22 -0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 3ixw n ASP 515 Cb 0.69 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 3ixw n ASP 515 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3ixw h GLN 516 N 0.22 -0.01 -0.22 -1.24 4.20 -1.42 -3.41 115.11 113.23 3ixw h GLN 516 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3ixw h GLN 516 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3ixw h GLN 516 CO 0.00 0.64 0.21 -0.07 -0.67 0.00 0.00 178.83 178.94 3ixw h LEU 517 N -0.99 0.00 -0.68 1.46 3.38 -0.04 0.73 115.31 119.17 3ixw h LEU 517 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ixw h LEU 517 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ixw h LEU 517 CO 0.00 0.00 0.01 0.61 0.09 0.00 0.00 178.44 179.15 3ixw n GLY 518 N -1.46 -0.67 0.07 0.83 0.00 0.11 -2.55 105.19 101.52 3ixw n GLY 518 Ca 0.02 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3ixw n GLY 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixw h ALA 519 N 1.98 0.04 0.00 4.61 0.00 -0.44 -3.48 119.26 121.96 3ixw h ALA 519 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ixw h ALA 519 Cb 0.01 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3ixw h ALA 519 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3ixw n GLY 520 N 1.59 -0.32 0.00 0.00 0.00 0.21 -4.96 105.19 101.71 3ixw n GLY 520 Ca -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3ixw n GLY 520 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ixw n GLU 521 N 0.24 0.00 -0.04 1.61 0.28 -1.26 -4.94 120.64 116.54 3ixw n GLU 521 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 3ixw n GLU 521 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 3ixw n GLU 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3ixw h GLY 522 N 0.00 0.00 -4.47 -1.84 0.00 -2.06 -3.50 103.07 91.21 3ixw h GLY 522 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3ixw h GLY 522 CO 0.00 0.00 -0.23 0.54 0.00 0.00 0.00 176.54 176.85 3ixw s VAL 523 N -1.49 0.05 0.42 4.60 0.11 -1.26 -5.16 120.40 117.66 3ixw s VAL 523 Ca -0.03 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.65 3ixw s VAL 523 Cb 0.00 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 34.14 3ixw s VAL 523 CO 0.04 -0.23 0.02 -0.55 -3.33 0.00 0.00 175.10 171.06 3ixw s SER 524 N -1.30 3.60 0.50 3.54 0.15 -1.26 -5.09 113.70 113.84 3ixw s SER 524 Ca -0.13 -1.46 -0.11 0.00 0.70 0.00 0.00 55.95 54.94 3ixw s SER 524 Cb -0.05 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.15 3ixw s SER 524 CO 0.05 -0.61 0.89 -1.61 1.20 0.00 0.00 173.24 173.16 3ixw s GLU 525 N -3.78 3.74 0.00 5.44 8.01 -1.26 -5.06 118.70 125.78 3ixw s GLU 525 Ca 0.27 0.62 0.00 0.00 0.01 0.00 0.00 54.97 55.87 3ixw s GLU 525 Cb 0.07 -2.25 0.00 0.00 -4.31 0.00 0.00 34.13 27.65 3ixw s GLU 525 CO 0.14 -0.26 0.93 -0.25 0.01 0.00 0.00 175.26 175.83 3ixw n ASP 526 N -1.89 0.00 0.05 -0.19 8.00 -1.13 -4.43 116.55 116.95 3ixw n ASP 526 Ca 0.04 0.93 -0.03 0.00 0.71 0.00 0.00 54.79 56.44 3ixw n ASP 526 Cb 0.54 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 3ixw n ASP 526 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3ixw h SER 527 N 0.00 -0.15 -4.87 -2.24 0.87 -1.90 -3.49 113.55 101.77 3ixw h SER 527 Ca 0.00 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 3ixw h SER 527 Cb 0.00 0.04 -0.20 0.00 -0.44 0.00 0.00 62.40 61.79 3ixw h SER 527 CO 0.00 0.12 -0.26 -0.89 -0.53 0.00 0.00 176.83 175.27 3ixw s THR 528 N -2.10 0.05 0.56 2.23 2.01 -1.26 -4.99 115.64 112.14 3ixw s THR 528 Ca -0.03 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 3ixw s THR 528 Cb 0.00 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.84 3ixw s THR 528 CO 0.08 -0.22 1.01 -0.70 -0.69 0.00 0.00 174.62 174.09 3ixw s GLU 529 N -1.16 3.76 0.05 4.92 2.12 -1.26 -1.86 118.70 125.26 3ixw s GLU 529 Ca -0.12 0.92 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 3ixw s GLU 529 Cb -0.05 -2.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.14 3ixw s GLU 529 CO 0.04 -0.43 1.95 2.48 -0.54 0.00 0.00 175.26 178.76 3ixw n TYR 530 N -2.00 2.53 -3.66 5.30 4.11 -1.26 -4.70 117.16 117.48 3ixw n TYR 530 Ca 0.07 -0.32 -0.22 0.00 -0.00 0.00 0.00 57.90 57.42 3ixw n TYR 530 Cb 0.54 -2.79 -0.02 0.00 -0.00 0.00 0.00 39.34 37.07 3ixw n TYR 530 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3ixw n SER 532 N -1.63 0.44 -4.42 0.00 3.41 -1.26 -4.88 113.62 105.29 3ixw n SER 532 Ca 0.03 -1.42 -0.27 0.00 -0.26 0.00 0.00 58.87 56.94 3ixw n SER 532 Cb 0.63 -0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 3ixw n SER 532 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ixw n GLY 534 N 0.30 -1.24 3.80 0.00 0.00 -1.26 -4.60 105.19 102.18 3ixw n GLY 534 Ca -0.13 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.00 3.71 0.06 1.61 -0.11 -0.46 -4.58 118.94 116.17 3ixw s TRP 535 Ca 0.00 1.50 -0.31 0.00 1.22 0.00 0.00 56.10 58.50 3ixw s TRP 535 Cb 0.00 -2.69 -0.10 0.00 -1.50 0.00 0.00 33.47 29.17 3ixw s TRP 535 CO 0.00 0.35 1.90 -0.35 -4.62 0.00 0.00 176.95 174.23 3ixw n PRO 536 N 0.88 2.74 -0.04 5.86 -0.04 -1.26 -0.99 135.00 142.15 3ixw n PRO 536 Ca -0.02 1.00 -0.10 0.00 -0.04 0.00 0.00 63.50 64.34 3ixw n PRO 536 Cb 0.50 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.01 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 9.44 -0.34 0.00 0.54 4.81 -1.91 -1.39 114.58 125.73 3ixw h GLU 537 Ca -0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3ixw h GLU 537 Cb 1.24 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3ixw h GLU 537 CO 0.94 -0.23 0.49 1.12 -0.73 0.00 0.00 179.01 180.61 3ixw h HIS 538 N -0.35 0.00 -0.31 0.92 2.07 -1.91 0.42 115.15 115.98 3ixw h HIS 538 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 3ixw h HIS 538 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 3ixw h HIS 538 CO -0.45 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.08 3ixw n MET 539 N -2.36 3.23 0.10 5.12 2.81 -0.53 -3.62 117.12 121.87 3ixw n MET 539 Ca -0.01 -2.88 0.02 0.00 -1.81 0.00 0.00 57.70 53.03 3ixw n MET 539 Cb 0.51 -1.90 0.39 0.00 -0.71 0.00 0.00 33.22 31.51 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 2.16 0.28 -7.64 4.03 5.85 -0.89 -3.41 115.31 115.69 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 1.51 -0.07 -0.37 0.00 0.37 0.00 0.00 40.66 42.10 3ixw h LEU 540 CO 0.26 0.39 -0.78 -0.63 -0.34 0.00 0.00 178.44 177.34 3ixw s ILE 541 N -4.84 0.70 0.98 4.05 1.09 -1.26 -5.02 121.20 116.90 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 0.54 -2.65 -0.10 0.00 0.00 174.94 173.76 3ixw n PRO 542 N 4.81 -0.63 -0.12 2.79 -0.02 -1.26 -4.90 135.00 135.67 3ixw n PRO 542 Ca -0.13 -0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.33 3ixw n PRO 542 Cb 0.50 -1.96 0.47 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 -1.77 0.47 0.00 -0.52 2.43 -1.94 -3.48 114.38 109.58 3ixw h ARG 543 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3ixw h ARG 543 Cb 1.29 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ixw h ARG 543 CO 0.37 0.31 0.00 0.41 -1.51 0.00 0.00 179.97 179.55 3ixw n GLY 544 N -1.50 3.06 3.59 2.80 0.00 -1.26 -3.57 105.19 108.30 3ixw n GLY 544 Ca 0.11 -0.19 -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 -0.17 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 0.82 0.00 0.21 0.00 0.00 66.02 67.65 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 0.04 -0.05 2.43 2.76 -1.89 -1.06 115.15 119.59 3ixw h HIS 546 Ca -0.26 -0.01 -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 0.31 -0.04 1.57 -1.30 0.00 0.00 177.93 178.86 3ixw h LYS 547 N 0.03 0.07 -0.48 5.26 2.10 -1.90 -3.42 116.57 118.23 3ixw h LYS 547 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ixw h LYS 547 Cb 0.51 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3ixw h LYS 547 CO 0.04 0.12 0.00 0.41 -2.00 0.00 0.00 179.45 178.02 3ixw n GLY 548 N -1.32 -0.45 3.93 0.07 0.00 -1.00 -5.01 105.19 101.41 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 -0.11 1.61 1.75 0.10 -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 -4.73 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 32.43 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 -0.15 -0.23 0.00 1.01 0.00 0.00 57.45 57.89 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 -0.54 -1.08 2.12 0.56 -2.97 118.70 115.22 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 -0.94 0.13 0.00 0.26 0.00 0.00 34.13 33.58 3ixw s GLU 552 CO 0.01 -0.32 0.49 -1.17 -0.54 0.00 0.00 175.26 173.74 3ixw s LEU 553 N 2.00 6.16 -0.22 2.70 2.96 -0.96 -0.44 118.68 130.87 3ixw s LEU 553 Ca 0.05 -1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 52.07 3ixw s LEU 553 Cb -0.12 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 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 0.56 -0.07 117.98 130.65 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 -0.35 -0.04 0.08 1.83 0.00 0.00 175.22 176.76 3ixw s VAL 555 N 1.33 3.83 0.05 3.12 1.01 0.77 0.66 120.40 131.17 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 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 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 -1.90 1.06 -0.25 2.72 1.75 0.44 -1.51 119.30 121.61 3ixw s MET 556 Ca 0.21 -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 0.28 -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 -0.11 -1.05 118.68 125.06 3ixw s LEU 557 Ca 0.03 -1.15 0.08 0.00 0.02 0.00 0.00 54.13 53.11 3ixw s LEU 557 Cb -0.09 -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 0.48 -0.89 0.02 0.00 0.00 176.35 175.83 3ixw s THR 558 N 1.20 2.37 0.24 5.49 2.01 0.23 -4.36 115.64 122.81 3ixw s THR 558 Ca -0.04 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.47 3ixw s THR 558 Cb -0.18 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 3ixw s THR 558 CO -0.06 0.00 0.78 -0.62 -0.69 0.00 0.00 174.62 174.03 3ixw s ASP 559 N -4.29 7.15 0.04 3.53 -1.08 -1.26 -0.09 116.67 120.68 3ixw s ASP 559 Ca 0.48 1.53 0.04 0.00 -0.52 0.00 0.00 52.55 54.08 3ixw s ASP 559 Cb -0.04 -2.46 -0.24 0.00 -1.46 0.00 0.00 42.92 38.71 3ixw s ASP 559 CO 0.29 0.03 0.99 -0.74 0.52 0.00 0.00 175.17 176.26 3ixw h HIS 560 N 3.46 0.20 0.06 -5.34 -0.00 -1.47 -0.20 115.15 111.87 3ixw h HIS 560 Ca -0.48 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 59.74 3ixw h HIS 560 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 3ixw h HIS 560 CO 0.63 1.16 -0.03 -0.44 -0.00 0.00 0.00 177.93 179.25 3ixw h ASP 561 N 0.03 -0.07 -0.10 3.26 3.32 -1.93 0.22 116.42 121.15 3ixw h ASP 561 Ca -0.16 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.72 3ixw h ASP 561 Cb 1.92 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 41.43 3ixw h ASP 561 CO 0.14 0.17 -0.35 -0.08 -1.72 0.00 0.00 179.24 177.40 3ixw h GLU 562 N -0.31 -0.43 0.00 3.56 4.81 -1.94 -2.59 114.58 117.67 3ixw h GLU 562 Ca -0.01 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3ixw h GLU 562 Cb 0.28 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3ixw h GLU 562 CO 0.01 -0.28 -0.26 -0.44 -0.73 0.00 0.00 179.01 177.31 3ixw h ASP 563 N -0.44 0.00 -1.23 1.04 3.32 -0.97 -3.44 116.42 114.70 3ixw h ASP 563 Ca 0.08 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.81 3ixw h ASP 563 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3ixw h ASP 563 CO -0.35 0.26 1.04 0.28 -1.72 0.00 0.00 179.24 178.76 3ixw s THR 564 N -3.99 3.12 -0.15 0.35 -1.32 0.78 -2.24 115.64 112.19 3ixw s THR 564 Ca -0.02 -0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.39 3ixw s THR 564 Cb 0.13 -3.29 -0.24 0.00 -1.51 0.00 0.00 72.50 67.59 3ixw s THR 564 CO 0.65 -0.27 0.24 0.52 -2.21 0.00 0.00 174.62 173.55 3ixw n VAL 565 N 8.07 1.71 -3.08 5.08 0.31 0.24 -4.89 118.33 125.78 3ixw n VAL 565 Ca 0.37 -0.59 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 3ixw n VAL 565 Cb 0.50 -1.71 -0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3ixw n VAL 565 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ixw s ALA 566 N -2.54 3.61 0.00 3.52 0.00 -1.11 -4.95 121.76 120.29 3ixw s ALA 566 Ca -0.25 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3ixw s ALA 566 Cb 0.07 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.92 3ixw s ALA 566 CO 0.72 -0.19 0.08 0.41 0.00 0.00 0.00 175.76 176.78 3ixw n GLY 567 N -1.99 -0.35 3.76 0.00 0.00 -1.26 -4.99 105.19 100.36 3ixw n GLY 567 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.33 2.19 0.09 0.99 2.01 -1.26 -4.99 118.68 117.39 3ixw s LEU 568 Ca 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 54.13 52.44 3ixw s LEU 568 Cb 0.00 -0.65 0.00 0.00 0.01 0.00 0.00 46.19 45.55 3ixw s LEU 568 CO 0.00 -0.91 0.00 -1.54 1.01 0.00 0.00 176.35 174.91 3ixw n SER 569 N -1.32 0.07 -4.56 2.29 3.41 -1.26 -4.96 113.62 107.29 3ixw n SER 569 Ca -0.20 0.15 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 3ixw n SER 569 Cb 0.67 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 3ixw n SER 569 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ixw s GLU 570 N -2.00 2.87 0.35 4.33 8.01 -1.26 -4.78 118.70 126.22 3ixw s GLU 570 Ca 0.00 -0.29 -0.17 0.00 0.01 0.00 0.00 54.97 54.52 3ixw s GLU 570 Cb 0.00 -4.90 0.05 0.00 -4.31 0.00 0.00 34.13 24.98 3ixw s GLU 570 CO 0.00 -2.84 0.81 0.54 0.01 0.00 0.00 175.26 173.77 3ixw s ASN 571 N 6.89 -0.04 -0.27 -0.19 4.22 -1.26 -5.08 114.94 119.21 3ixw s ASN 571 Ca 0.60 -1.01 -0.28 0.00 -2.14 0.00 0.00 52.86 50.03 3ixw s ASN 571 Cb -0.07 0.79 -0.03 0.00 1.28 0.00 0.00 41.25 43.22 3ixw s ASN 571 CO 0.03 -1.56 2.02 0.00 -2.04 0.00 0.00 177.10 175.56 3ixw s ALA 572 N -2.55 2.79 -0.29 3.54 0.00 -1.26 -4.84 121.76 119.14 3ixw s ALA 572 Ca 0.15 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 3ixw s ALA 572 Cb -0.05 -4.05 0.20 0.00 0.00 0.00 0.00 23.12 19.22 3ixw s ALA 572 CO 0.10 -2.71 1.40 0.54 0.00 0.00 0.00 175.76 175.09 3ixw s VAL 573 N 7.65 0.00 -1.14 0.00 0.11 -1.26 -2.86 120.40 122.90 3ixw s VAL 573 Ca 0.91 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.81 3ixw s VAL 573 Cb -0.28 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.50 3ixw s VAL 573 CO 0.34 0.00 2.21 0.00 -3.33 0.00 0.00 175.10 174.33 3ixw n SER 575 N 5.83 1.68 0.15 0.00 7.64 -1.26 -3.93 113.62 123.72 3ixw n SER 575 Ca 0.54 -1.37 -0.14 0.00 1.01 0.00 0.00 58.87 58.90 3ixw n SER 575 Cb 0.32 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.43 3ixw n SER 575 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3ixw h ASP 576 N 1.25 -1.00 -0.25 6.43 3.58 -1.81 0.20 116.42 124.80 3ixw h ASP 576 Ca 0.00 0.11 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 3ixw h ASP 576 Cb 0.32 0.37 -0.08 0.00 1.72 0.00 0.00 39.33 41.66 3ixw h ASP 576 CO 0.00 -0.46 -0.01 0.00 -2.88 0.00 0.00 179.24 175.89 3ixw n ALA 577 N -2.72 5.47 -0.31 -0.78 0.00 -1.15 -4.04 120.51 116.98 3ixw n ALA 577 Ca -0.08 -1.45 0.18 0.00 0.00 0.00 0.00 53.44 52.09 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 0.31 0.00 -1.51 0.45 -1.55 116.25 116.12 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 30.33 3ixw h VAL 578 CO 0.35 0.10 -0.15 0.28 -1.23 0.00 0.00 177.57 176.93 3ixw h SER 579 N 0.55 -0.35 0.66 4.19 0.02 -1.06 -2.78 113.55 114.78 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 -0.25 0.00 -1.22 -1.14 0.00 0.00 176.83 173.91 3ixw n TYR 580 N -3.12 0.00 0.00 3.45 4.01 -1.24 -4.56 117.16 115.70 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 0.16 -0.35 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 0.82 0.57 3.37 0.00 0.00 -0.59 -4.97 105.19 104.38 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 -0.12 4.61 0.00 -1.26 -3.10 121.76 120.02 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 0.00 175.76 176.20 3ixw s ARG 584 N -3.84 3.42 -1.82 0.00 1.81 -1.25 -4.08 118.95 113.18 3ixw s ARG 584 Ca 0.06 -0.23 -0.20 0.00 -1.72 0.00 0.00 55.73 53.64 3ixw s ARG 584 Cb 0.01 -3.10 0.20 0.00 -0.45 0.00 0.00 34.95 31.61 3ixw s ARG 584 CO -0.08 0.68 0.50 -0.25 -0.68 0.00 0.00 175.30 175.47 3ixw n ASP 585 N 2.28 -1.38 -2.81 0.23 9.92 -1.26 -4.68 116.55 118.85 3ixw n ASP 585 Ca -0.19 -1.25 -0.16 0.00 -0.53 0.00 0.00 54.79 52.67 3ixw n ASP 585 Cb 0.54 -1.59 -0.06 0.00 -0.64 0.00 0.00 41.12 39.38 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 -0.05 -4.97 -2.24 2.03 -1.26 -5.17 116.55 102.38 3ixw n ASP 586 Ca 0.05 -2.61 -0.23 0.00 0.52 0.00 0.00 54.79 52.51 3ixw n ASP 586 Cb 0.49 1.10 0.03 0.00 -0.72 0.00 0.00 41.12 42.02 3ixw n ASP 586 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3ixw s ARG 587 N -3.04 2.25 -0.38 -0.67 3.52 -1.26 -4.83 118.95 114.53 3ixw s ARG 587 Ca 0.25 -1.87 -0.29 0.00 -0.13 0.00 0.00 55.73 53.70 3ixw s ARG 587 Cb 0.01 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 31.04 3ixw s ARG 587 CO 0.18 -0.79 1.50 -0.47 -0.81 0.00 0.00 175.30 174.92 3ixw s TYR 588 N -2.75 2.26 -0.64 5.12 5.04 -1.26 -4.74 117.35 120.38 3ixw s TYR 588 Ca 0.48 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 3ixw s TYR 588 Cb -0.04 -4.25 0.05 0.00 0.35 0.00 0.00 41.96 38.07 3ixw s TYR 588 CO 0.30 -2.23 0.87 -2.30 -1.34 0.00 0.00 175.55 170.86 3ixw n PRO 589 N 8.12 0.01 -4.93 4.97 -0.02 -1.26 -4.49 135.00 137.41 3ixw n PRO 589 Ca 0.18 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 3ixw n PRO 589 Cb 0.48 -1.68 -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 -2.74 3.46 0.22 2.55 2.15 -1.26 -0.59 116.67 120.47 3ixw s ASP 590 Ca -0.00 -0.48 -0.11 0.00 0.43 0.00 0.00 52.55 52.39 3ixw s ASP 590 Cb 0.00 -1.50 0.30 0.00 -0.30 0.00 0.00 42.92 41.42 3ixw s ASP 590 CO 0.01 0.14 1.65 0.50 -0.17 0.00 0.00 175.17 177.30 3ixw h LYS 591 N 6.86 0.09 -7.24 4.34 1.63 -1.67 -3.45 116.57 117.12 3ixw h LYS 591 Ca -0.24 -0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.06 3ixw h LYS 591 Cb 1.22 -0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.87 3ixw h LYS 591 CO 0.52 0.06 0.38 0.15 -3.45 0.00 0.00 179.45 177.11 3ixw s LYS 592 N -6.16 3.60 0.27 1.90 3.01 -1.26 -4.95 119.74 116.15 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 0.00 175.35 177.50 3ixw n ALA 593 N -2.08 1.66 -1.66 5.17 0.00 -1.26 -4.85 120.51 117.49 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 2.99 3.69 -0.03 0.00 -1.26 -4.88 105.19 111.04 3ixw n GLY 595 Ca 0.26 -0.43 -0.62 0.00 0.00 0.00 0.00 46.02 45.24 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 1.69 0.24 1.61 7.35 -0.38 0.04 117.46 128.01 3ixw n PHE 596 Ca 0.00 0.88 0.11 0.00 -0.76 0.00 0.00 57.45 57.68 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 5.46 0.00 -1.01 -7.13 0.11 -1.96 -3.48 132.00 123.98 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 1.24 0.10 0.65 3.72 0.11 -3.93 117.46 115.79 3ixw n PHE 598 Ca -0.01 -1.06 -0.22 0.00 -0.05 0.00 0.00 57.45 56.10 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 0.43 0.69 -5.66 4.37 2.03 -1.90 -3.46 116.42 112.91 3ixw h ASP 599 Ca 0.26 -0.92 -0.31 0.00 -0.73 0.00 0.00 57.03 55.32 3ixw h ASP 599 Cb 1.74 -0.22 0.02 0.00 -0.83 0.00 0.00 39.33 40.04 3ixw h ASP 599 CO 0.45 1.56 -0.04 0.54 -1.03 0.00 0.00 179.24 180.72 3ixw n ARG 600 N -3.91 0.75 -2.02 4.15 1.74 -1.25 -4.83 116.66 111.28 3ixw n ARG 600 Ca -0.15 -2.00 -0.41 0.00 -0.77 0.00 0.00 57.85 54.52 3ixw n ARG 600 Cb 0.97 -0.15 -0.02 0.00 -1.02 0.00 0.00 32.46 32.23 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 -3.68 4.28 -0.18 5.56 2.47 -1.26 -5.00 119.74 121.93 3ixw s LYS 601 Ca 0.39 2.31 0.00 0.00 -1.56 0.00 0.00 55.97 57.11 3ixw s LYS 601 Cb -0.03 -3.06 0.01 0.00 -1.46 0.00 0.00 37.83 33.29 3ixw s LYS 601 CO 0.25 -0.33 -0.18 0.42 0.16 0.00 0.00 175.35 175.68 3ixw s ILE 602 N -0.77 2.29 -0.61 5.43 1.01 -1.26 -4.40 121.20 122.88 3ixw s ILE 602 Ca 0.53 -0.87 0.26 0.00 0.00 0.00 0.00 60.65 60.57 3ixw s ILE 602 Cb -0.42 -1.97 0.30 0.00 0.01 0.00 0.00 42.46 40.38 3ixw s ILE 602 CO 0.52 0.52 1.75 -0.08 0.00 0.00 0.00 174.94 177.64 3ixw h GLU 603 N 7.91 0.00 -6.80 2.79 4.57 -2.00 -3.42 114.58 117.62 3ixw h GLU 603 Ca -0.44 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.25 3ixw h GLU 603 Cb 1.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3ixw h GLU 603 CO 0.63 0.00 0.14 0.00 -1.18 0.00 0.00 179.01 178.59 3ixw s ALA 604 N -3.17 3.29 -0.16 2.92 0.00 -1.26 -5.03 121.76 118.35 3ixw s ALA 604 Ca 0.09 0.04 0.22 0.00 0.00 0.00 0.00 51.96 52.31 3ixw s ALA 604 Cb 0.10 -2.81 -0.22 0.00 0.00 0.00 0.00 23.12 20.19 3ixw s ALA 604 CO 0.58 0.23 0.68 0.54 0.00 0.00 0.00 175.76 177.80 3ixw n ARG 605 N -0.61 0.60 -4.64 0.00 5.12 -1.26 -4.51 116.66 111.36 3ixw n ARG 605 Ca 0.04 -0.09 -0.26 0.00 -1.93 0.00 0.00 57.85 55.61 3ixw n ARG 605 Cb 0.53 -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 -3.44 1.68 0.66 0.55 -1.32 -1.26 -3.42 115.64 109.09 3ixw s THR 606 Ca -0.05 -1.21 0.26 0.00 -1.21 0.00 0.00 61.69 59.48 3ixw s THR 606 Cb 0.13 -1.46 0.27 0.00 -1.51 0.00 0.00 72.50 69.93 3ixw s THR 606 CO 0.87 0.20 1.79 0.00 -2.21 0.00 0.00 174.62 175.27 3ixw h ALA 607 N 4.84 1.53 -0.25 11.08 0.00 -1.62 0.54 119.26 135.39 3ixw h ALA 607 Ca -0.43 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 3ixw h ALA 607 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ixw h ALA 607 CO 0.44 -0.48 -0.50 0.00 0.00 0.00 0.00 179.25 178.70 3ixw h ALA 608 N 1.16 0.63 -0.36 0.00 0.00 -1.94 -3.26 119.26 115.49 3ixw h ALA 608 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3ixw h ALA 608 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ixw h ALA 608 CO -0.00 0.68 0.03 0.93 0.00 0.00 0.00 179.25 180.89 3ixw h GLU 609 N 0.56 0.55 0.00 0.00 5.08 -1.29 -1.73 114.58 117.75 3ixw h GLU 609 Ca 0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3ixw h GLU 609 Cb 1.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.24 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 -4.29 0.00 -1.91 4.33 7.35 -1.16 -4.80 117.46 116.98 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 3.88 0.42 -2.13 2.96 -0.65 -5.01 118.68 115.49 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 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3ixw s LEU 611 CO 0.26 -1.40 0.68 0.42 -1.32 0.00 0.00 176.35 174.99 3ixw s THR 612 N 5.83 5.00 -1.65 3.68 -4.23 -1.26 -4.99 115.64 118.02 3ixw s THR 612 Ca 0.82 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 61.26 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 -0.71 0.84 -2.65 -0.54 0.00 0.00 174.62 171.89 3ixw n PRO 613 N -2.03 0.07 -0.75 3.99 -0.02 -1.26 -0.49 135.00 134.51 3ixw n PRO 613 Ca -0.02 0.15 -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 -1.17 2.75 -4.24 2.55 6.94 -1.26 -0.09 115.26 120.73 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 -0.94 119.30 110.51 3ixw s MET 615 Ca 0.44 -1.37 -0.15 0.00 -1.71 0.00 0.00 55.69 52.90 3ixw s MET 615 Cb 0.40 -0.67 0.15 0.00 2.01 0.00 0.00 34.83 36.72 3ixw s MET 615 CO 0.02 0.10 0.93 0.20 -0.01 0.00 0.00 175.02 176.25 3ixw s GLY 616 N -2.94 -0.22 -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 47.65 3ixw s GLY 616 CO 0.01 2.98 0.44 1.08 0.00 0.00 0.00 173.10 177.61 3ixw s LEU 617 N 2.12 4.30 -0.28 0.66 1.02 -1.25 -0.16 118.68 125.08 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 1.62 -0.13 5.49 2.01 0.90 -4.92 115.64 120.99 3ixw s THR 618 Ca 0.24 -1.56 -0.29 0.00 0.31 0.00 0.00 61.69 60.38 3ixw s THR 618 Cb -0.15 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 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 -2.27 116.67 126.51 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 3.30 1.65 0.12 2.11 -0.00 -1.16 -4.93 121.20 122.30 3ixw s ILE 620 Ca 0.58 -1.83 0.02 0.00 -0.00 0.00 0.00 60.65 59.42 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 -2.72 3.27 -0.04 0.37 -0.14 -0.05 0.50 119.74 120.93 3ixw s LYS 621 Ca 0.13 -0.62 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 3ixw s LYS 621 Cb -0.06 -2.89 0.01 0.00 -1.68 0.00 0.00 37.83 33.21 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 -0.05 -0.04 121.20 123.62 3ixw s ILE 622 Ca 0.33 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.52 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 -0.24 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 -0.05 1.33 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 -0.43 -0.84 117.98 126.87 3ixw s PHE 624 Ca -0.11 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.45 3ixw s PHE 624 Cb -0.15 -3.79 -0.02 0.00 -0.34 0.00 0.00 43.02 38.73 3ixw s PHE 624 CO 0.01 -1.87 1.81 -1.58 -1.46 0.00 0.00 175.22 172.13 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 0.58 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