#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixr s ILE 2 N 0.00 4.18 -0.00 1.12 -1.09 -1.26 -4.83 121.20 119.32 1ixr s ILE 2 Ca 0.00 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1ixr s ILE 2 Cb 0.00 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1ixr s ILE 2 CO 0.00 -0.12 -0.00 -1.14 -1.23 0.00 0.00 174.94 172.45 1ixr n ARG 3 N 6.56 1.87 -4.34 2.79 0.63 -1.26 -3.57 116.66 119.34 1ixr n ARG 3 Ca 0.14 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.85 1ixr n ARG 3 Cb 0.45 -1.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.24 1ixr n ARG 3 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1ixr s TYR 4 N -2.00 1.83 -0.19 -0.14 6.14 -1.26 0.25 117.35 121.98 1ixr s TYR 4 Ca -0.00 -0.47 -0.28 0.00 0.64 0.00 0.00 57.07 56.96 1ixr s TYR 4 Cb 0.00 -0.91 0.09 0.00 0.42 0.00 0.00 41.96 41.56 1ixr s TYR 4 CO 0.00 0.34 0.80 -0.51 0.64 0.00 0.00 175.55 176.82 1ixr s LEU 5 N -2.72 -0.62 -0.05 6.97 1.43 -0.93 -4.89 118.68 117.87 1ixr s LEU 5 Ca 0.16 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 1ixr s LEU 5 Cb -0.05 2.31 -0.00 0.00 0.03 0.00 0.00 46.19 48.48 1ixr s LEU 5 CO 0.07 -0.36 -0.18 -0.13 0.23 0.00 0.00 176.35 175.98 1ixr s ARG 6 N -0.32 1.96 0.00 1.70 1.81 -1.26 -1.02 118.95 121.82 1ixr s ARG 6 Ca -0.03 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1ixr s ARG 6 Cb -0.03 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.80 1ixr s ARG 6 CO 0.03 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 1ixr n GLY 7 N 3.17 -1.44 3.86 -3.53 0.00 -1.13 -4.07 105.19 102.04 1ixr n GLY 7 Ca -0.18 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1ixr n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixr s LEU 8 N 0.00 3.45 -0.10 0.99 1.43 -0.97 -2.40 118.68 121.08 1ixr s LEU 8 Ca 0.00 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1ixr s LEU 8 Cb 0.00 -4.48 0.15 0.00 0.03 0.00 0.00 46.19 41.89 1ixr s LEU 8 CO 0.00 -0.71 1.19 0.52 0.23 0.00 0.00 176.35 177.58 1ixr n VAL 9 N -2.10 1.46 0.00 -1.59 0.31 -1.20 -1.75 118.33 113.45 1ixr n VAL 9 Ca 0.06 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1ixr n VAL 9 Cb 0.54 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1ixr n VAL 9 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ixr n LEU 10 N 0.14 0.00 -3.64 7.52 7.94 -0.91 -4.04 117.00 124.00 1ixr n LEU 10 Ca 0.13 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.99 1ixr n LEU 10 Cb 0.75 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.63 1ixr n LEU 10 CO 0.13 0.00 0.65 -0.75 -1.11 0.00 0.00 177.39 176.31 1ixr s LYS 11 N 0.00 0.44 0.00 1.96 2.47 -1.25 -4.83 119.74 118.53 1ixr s LYS 11 Ca 0.00 0.71 -0.00 0.00 -1.56 0.00 0.00 55.97 55.12 1ixr s LYS 11 Cb 0.00 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.49 1ixr s LYS 11 CO 0.00 -0.08 0.00 1.63 0.16 0.00 0.00 175.35 177.06 1ixr n LYS 12 N 3.50 0.39 -3.59 4.03 5.02 -1.26 -0.35 118.16 125.91 1ixr n LYS 12 Ca -0.18 -0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.12 1ixr n LYS 12 Cb 0.57 -0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.58 1ixr n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ixr s GLU 13 N -2.61 0.15 0.21 1.97 2.02 -0.10 -4.71 118.70 115.63 1ixr s GLU 13 Ca 0.00 -0.08 -0.21 0.00 0.02 0.00 0.00 54.97 54.70 1ixr s GLU 13 Cb -0.00 0.06 0.15 0.00 0.10 0.00 0.00 34.13 34.44 1ixr s GLU 13 CO 0.00 -0.07 1.53 0.00 0.02 0.00 0.00 175.26 176.74 1ixr n ALA 14 N -0.38 -0.26 -1.73 5.21 0.00 -1.26 -3.24 120.51 118.85 1ixr n ALA 14 Ca -0.06 0.95 0.01 0.00 0.00 0.00 0.00 53.44 54.33 1ixr n ALA 14 Cb 0.62 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 19.72 1ixr n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixr n GLY 15 N -1.41 0.21 3.02 0.00 0.00 -1.26 -4.91 105.19 100.84 1ixr n GLY 15 Ca 0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ixr n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixr n GLY 16 N -0.10 2.63 3.58 -0.02 0.00 -1.20 -2.61 105.19 107.46 1ixr n GLY 16 Ca 0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 1ixr n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ixr s PHE 17 N -3.16 -0.21 -0.15 1.61 -0.12 -0.70 -0.92 117.98 114.33 1ixr s PHE 17 Ca 0.32 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1ixr s PHE 17 Cb 0.01 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1ixr s PHE 17 CO 0.23 -0.28 -0.15 0.14 -0.05 0.00 0.00 175.22 175.11 1ixr s VAL 18 N -2.23 2.74 -0.36 -2.49 -7.23 0.53 -1.71 120.40 109.65 1ixr s VAL 18 Ca 0.07 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.36 1ixr s VAL 18 Cb -0.01 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1ixr s VAL 18 CO -0.05 0.51 0.24 -0.22 -0.31 0.00 0.00 175.10 175.28 1ixr s LEU 19 N 0.76 4.68 -1.13 1.32 0.20 0.56 -2.15 118.68 122.92 1ixr s LEU 19 Ca -0.06 -0.67 -0.14 0.00 0.69 0.00 0.00 54.13 53.95 1ixr s LEU 19 Cb -0.15 -2.11 0.18 0.00 -0.43 0.00 0.00 46.19 43.67 1ixr s LEU 19 CO 0.01 -0.32 1.32 -0.22 -0.29 0.00 0.00 176.35 176.85 1ixr s LEU 20 N 1.67 5.26 0.32 -0.68 0.20 -0.72 -1.22 118.68 123.51 1ixr s LEU 20 Ca 0.05 -2.89 0.02 0.00 0.69 0.00 0.00 54.13 52.00 1ixr s LEU 20 Cb -0.18 -2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 43.18 1ixr s LEU 20 CO 0.09 -0.74 0.50 0.00 -0.29 0.00 0.00 176.35 175.91 1ixr s ALA 21 N 1.40 3.78 0.00 5.97 0.00 -1.00 -2.30 121.76 129.61 1ixr s ALA 21 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ixr s ALA 21 Cb -0.04 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1ixr s ALA 21 CO -0.03 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1ixr n GLY 22 N -1.70 3.07 0.00 0.00 0.00 -1.26 -1.57 105.19 103.73 1ixr n GLY 22 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ixr n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ixr n GLY 23 N 0.00 -1.32 3.77 -0.02 0.00 -1.26 -5.02 105.19 101.34 1ixr n GLY 23 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ixr n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ixr s VAL 24 N -0.01 4.86 -0.67 1.61 1.01 -0.61 -5.03 120.40 121.56 1ixr s VAL 24 Ca 0.00 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 1ixr s VAL 24 Cb 0.00 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.58 1ixr s VAL 24 CO 0.00 0.43 0.69 -0.83 0.00 0.00 0.00 175.10 175.39 1ixr s GLY 25 N -0.29 2.17 0.20 4.51 0.00 -1.26 -2.38 107.32 110.28 1ixr s GLY 25 Ca 0.32 -2.72 -0.27 0.00 0.00 0.00 0.00 44.72 42.05 1ixr s GLY 25 CO 0.18 1.38 0.84 -1.36 0.00 0.00 0.00 173.10 174.15 1ixr s PHE 26 N 1.54 3.91 -0.24 1.90 0.08 -0.36 -4.87 117.98 119.93 1ixr s PHE 26 Ca 0.12 1.73 -0.00 0.00 0.12 0.00 0.00 56.93 58.90 1ixr s PHE 26 Cb -0.20 -2.84 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 1ixr s PHE 26 CO -0.01 0.47 -0.09 0.12 -0.10 0.00 0.00 175.22 175.61 1ixr s PHE 27 N -1.21 3.06 0.04 0.36 5.36 -1.26 -0.32 117.98 124.01 1ixr s PHE 27 Ca 0.39 -1.71 0.06 0.00 -0.96 0.00 0.00 56.93 54.70 1ixr s PHE 27 Cb -0.23 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 1ixr s PHE 27 CO 0.28 -0.77 -0.17 -0.48 -1.46 0.00 0.00 175.22 172.62 1ixr s LEU 28 N 1.28 2.16 0.27 6.12 2.34 -0.70 -4.26 118.68 125.89 1ixr s LEU 28 Ca -0.01 -0.48 -0.11 0.00 0.06 0.00 0.00 54.13 53.60 1ixr s LEU 28 Cb -0.17 -0.78 -0.07 0.00 -0.56 0.00 0.00 46.19 44.61 1ixr s LEU 28 CO -0.06 0.10 0.61 -1.10 -1.06 0.00 0.00 176.35 174.84 1ixr s GLN 29 N -1.11 3.84 0.26 1.48 -0.21 -0.22 -1.72 119.66 121.98 1ixr s GLN 29 Ca 0.05 0.37 -0.09 0.00 0.02 0.00 0.00 55.36 55.71 1ixr s GLN 29 Cb -0.08 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 1ixr s GLN 29 CO 0.01 0.25 0.41 0.00 -2.12 0.00 0.00 175.29 173.84 1ixr s ALA 30 N -1.91 0.22 0.20 6.09 0.00 -1.07 0.49 121.76 125.77 1ixr s ALA 30 Ca 0.49 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 1ixr s ALA 30 Cb -0.11 1.14 -0.08 0.00 0.00 0.00 0.00 23.12 24.08 1ixr s ALA 30 CO 0.21 -0.79 1.05 -2.14 0.00 0.00 0.00 175.76 174.09 1ixr s PRO 31 N -3.85 4.67 0.11 0.00 0.02 -1.26 -4.75 135.00 129.94 1ixr s PRO 31 Ca 0.27 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 62.74 1ixr s PRO 31 Cb 0.01 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1ixr s PRO 31 CO 0.12 0.22 1.14 0.25 -0.33 0.00 0.00 177.00 178.40 1ixr n THR 32 N 1.97 -0.45 0.00 0.99 -2.24 -1.26 0.18 114.28 113.47 1ixr n THR 32 Ca 0.01 1.79 0.00 0.00 -2.27 0.00 0.00 64.05 63.57 1ixr n THR 32 Cb 0.46 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 1ixr n THR 32 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ixr n PRO 33 N -4.63 0.00 -0.29 -0.78 -0.04 -1.26 -0.30 135.00 127.70 1ixr n PRO 33 Ca 0.01 0.94 0.12 0.00 -0.04 0.00 0.00 63.50 64.53 1ixr n PRO 33 Cb 0.17 -1.44 0.27 0.00 -0.04 0.00 0.00 33.50 32.46 1ixr n PRO 33 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1ixr h PHE 34 N 0.00 0.36 -0.45 0.54 -0.00 -1.18 0.44 116.94 116.64 1ixr h PHE 34 Ca 0.00 0.05 0.07 0.00 -0.00 0.00 0.00 57.97 58.09 1ixr h PHE 34 Cb 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 35.95 35.87 1ixr h PHE 34 CO -0.82 -0.18 0.12 1.25 -0.00 0.00 0.00 178.31 178.68 1ixr h LEU 35 N 0.23 0.07 -0.49 0.59 6.46 0.49 -2.90 115.31 119.76 1ixr h LEU 35 Ca 0.53 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 58.31 1ixr h LEU 35 Cb 1.04 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1ixr h LEU 35 CO -0.62 0.07 0.10 1.56 -0.62 0.00 0.00 178.44 178.92 1ixr h GLN 36 N 0.26 0.81 -0.42 1.25 4.20 0.16 -2.49 115.11 118.88 1ixr h GLN 36 Ca 0.22 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ixr h GLN 36 Cb 0.26 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ixr h GLN 36 CO -0.27 0.79 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 1ixr n ALA 37 N -2.39 1.85 -3.12 3.87 0.00 -0.97 -4.64 120.51 115.11 1ixr n ALA 37 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1ixr n ALA 37 Cb 0.24 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 1ixr n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ixr s LEU 38 N -0.21 3.11 -0.17 0.00 2.96 -0.94 -5.06 118.68 118.37 1ixr s LEU 38 Ca 0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1ixr s LEU 38 Cb 0.00 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.97 1ixr s LEU 38 CO 0.00 0.10 -0.08 -1.83 -1.32 0.00 0.00 176.35 173.22 1ixr s GLU 39 N 0.77 1.78 0.22 1.98 -1.05 -1.26 -5.04 118.70 116.10 1ixr s GLU 39 Ca -0.02 -0.64 -0.27 0.00 -0.15 0.00 0.00 54.97 53.89 1ixr s GLU 39 Cb -0.15 -2.16 -0.17 0.00 -0.44 0.00 0.00 34.13 31.22 1ixr s GLU 39 CO 0.02 -0.40 0.49 0.39 0.95 0.00 0.00 175.26 176.71 1ixr n GLU 40 N 4.79 0.01 0.00 -4.83 1.02 -1.26 -2.73 120.64 117.64 1ixr n GLU 40 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1ixr n GLU 40 Cb 0.48 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1ixr n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ixr n GLY 41 N 2.02 2.98 3.86 0.62 0.00 -1.26 -4.91 105.19 108.50 1ixr n GLY 41 Ca 0.17 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ixr n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixr s LYS 42 N 0.00 3.84 0.95 1.61 3.01 -1.10 -4.75 119.74 123.29 1ixr s LYS 42 Ca 0.00 0.29 -0.11 0.00 -1.01 0.00 0.00 55.97 55.14 1ixr s LYS 42 Cb 0.00 -3.04 0.16 0.00 -1.01 0.00 0.00 37.83 33.94 1ixr s LYS 42 CO 0.00 0.58 1.11 -1.21 0.51 0.00 0.00 175.35 176.34 1ixr s GLU 43 N -1.72 0.80 -0.13 1.68 2.02 -1.26 -3.22 118.70 116.87 1ixr s GLU 43 Ca 0.32 1.30 -0.30 0.00 0.02 0.00 0.00 54.97 56.30 1ixr s GLU 43 Cb -0.15 -1.72 0.12 0.00 0.10 0.00 0.00 34.13 32.48 1ixr s GLU 43 CO 0.17 -2.70 0.95 0.54 0.02 0.00 0.00 175.26 174.24 1ixr s VAL 44 N -2.67 0.00 0.01 2.63 0.11 -1.01 -4.93 120.40 114.54 1ixr s VAL 44 Ca 0.66 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1ixr s VAL 44 Cb -0.22 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1ixr s VAL 44 CO 0.59 0.00 0.08 -0.83 -3.33 0.00 0.00 175.10 171.61 1ixr s GLY 45 N -1.32 2.01 -0.03 6.54 0.00 -1.26 -2.83 107.32 110.42 1ixr s GLY 45 Ca -0.02 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1ixr s GLY 45 CO 0.01 -0.79 -0.06 0.14 0.00 0.00 0.00 173.10 172.40 1ixr s VAL 46 N -1.22 0.56 -0.76 1.40 1.01 -0.19 -4.95 120.40 116.24 1ixr s VAL 46 Ca 0.24 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1ixr s VAL 46 Cb -0.12 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.82 1ixr s VAL 46 CO 0.15 0.20 1.00 -1.00 0.00 0.00 0.00 175.10 175.46 1ixr s HIS 47 N 0.47 2.88 0.68 5.22 3.76 -0.88 -2.19 115.29 125.22 1ixr s HIS 47 Ca -0.06 -0.93 -0.07 0.00 -0.15 0.00 0.00 55.06 53.85 1ixr s HIS 47 Cb -0.10 -4.26 0.04 0.00 1.11 0.00 0.00 32.58 29.37 1ixr s HIS 47 CO 0.00 -1.55 1.00 0.95 -0.85 0.00 0.00 174.74 174.29 1ixr s THR 48 N 3.39 2.84 -0.30 1.30 -4.23 0.69 -1.14 115.64 118.19 1ixr s THR 48 Ca 0.25 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1ixr s THR 48 Cb -0.13 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.66 1ixr s THR 48 CO 0.02 -0.23 0.37 -2.28 -0.54 0.00 0.00 174.62 171.96 1ixr s HIS 49 N -3.21 -0.73 1.31 3.99 2.46 0.12 -4.43 115.29 114.80 1ixr s HIS 49 Ca 0.58 -0.01 -0.18 0.00 0.47 0.00 0.00 55.06 55.92 1ixr s HIS 49 Cb -0.11 -0.29 0.33 0.00 -0.13 0.00 0.00 32.58 32.37 1ixr s HIS 49 CO 0.46 -0.97 0.88 -0.11 -2.47 0.00 0.00 174.74 172.54 1ixr n LEU 50 N 5.18 -1.30 -3.15 8.88 0.00 -1.23 -3.07 117.00 122.30 1ixr n LEU 50 Ca 0.01 -0.48 0.05 0.00 0.00 0.00 0.00 56.01 55.59 1ixr n LEU 50 Cb 0.48 -1.12 -0.01 0.00 0.00 0.00 0.00 43.42 42.77 1ixr n LEU 50 CO 0.00 -3.88 0.60 -0.22 0.00 0.00 0.00 177.39 173.89 1ixr s LEU 51 N -7.08 -0.40 0.00 -1.96 2.96 -0.68 -4.88 118.68 106.64 1ixr s LEU 51 Ca 0.67 0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 54.68 1ixr s LEU 51 Cb -0.19 1.31 0.14 0.00 0.50 0.00 0.00 46.19 47.95 1ixr s LEU 51 CO 0.61 -0.07 0.40 0.18 -1.32 0.00 0.00 176.35 176.15 1ixr n LEU 52 N 5.39 0.00 0.00 -0.68 4.32 -1.26 -0.84 117.00 123.93 1ixr n LEU 52 Ca -0.03 -0.41 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 1ixr n LEU 52 Cb 0.55 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1ixr n LEU 52 CO -0.13 -1.79 0.00 1.17 -1.22 0.00 0.00 177.39 175.42 1ixr n LYS 53 N -3.25 0.00 -0.04 3.23 4.81 -1.10 -4.66 118.16 117.15 1ixr n LYS 53 Ca 0.06 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.53 1ixr n LYS 53 Cb 0.24 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.35 1ixr n LYS 53 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1ixr n GLU 54 N 0.00 1.16 0.00 1.64 -0.00 -1.26 -4.66 120.64 117.52 1ixr n GLU 54 Ca 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 57.16 55.89 1ixr n GLU 54 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 31.44 30.31 1ixr n GLU 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ixr n GLU 55 N 0.24 4.00 -0.93 3.44 -0.58 -1.26 -5.14 120.64 120.41 1ixr n GLU 55 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1ixr n GLU 55 Cb 0.24 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1ixr n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ixr n GLY 56 N 0.70 1.12 3.39 0.62 0.00 -1.26 -5.16 105.19 104.60 1ixr n GLY 56 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1ixr n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixr s LEU 57 N 0.00 2.32 0.03 0.99 1.02 -1.26 -2.72 118.68 119.06 1ixr s LEU 57 Ca 0.00 -0.68 0.07 0.00 0.02 0.00 0.00 54.13 53.55 1ixr s LEU 57 Cb 0.00 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 1ixr s LEU 57 CO 0.00 0.21 -0.21 -0.44 0.02 0.00 0.00 176.35 175.92 1ixr s SER 58 N -1.80 2.56 -0.07 2.29 0.01 -0.02 -4.98 113.70 111.68 1ixr s SER 58 Ca 0.14 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.95 1ixr s SER 58 Cb -0.10 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1ixr s SER 58 CO 0.05 0.20 -0.24 -0.76 0.41 0.00 0.00 173.24 172.89 1ixr s LEU 59 N -1.03 2.06 -0.14 2.44 1.43 -1.26 -1.69 118.68 120.50 1ixr s LEU 59 Ca 0.08 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ixr s LEU 59 Cb -0.09 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1ixr s LEU 59 CO 0.01 0.22 -0.13 -0.31 0.23 0.00 0.00 176.35 176.37 1ixr s TYR 60 N -0.01 2.01 0.21 0.29 2.02 -1.17 -1.06 117.35 119.63 1ixr s TYR 60 Ca -0.08 -1.09 0.05 0.00 -0.37 0.00 0.00 57.07 55.58 1ixr s TYR 60 Cb -0.15 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1ixr s TYR 60 CO 0.05 -0.62 0.30 0.20 -1.57 0.00 0.00 175.55 173.91 1ixr s GLY 61 N 1.47 1.42 0.01 0.71 0.00 0.18 -0.70 107.32 110.42 1ixr s GLY 61 Ca 0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 1ixr s GLY 61 CO -0.09 -1.21 0.19 -1.36 0.00 0.00 0.00 173.10 170.63 1ixr s PHE 62 N -1.91 0.00 0.15 1.90 0.08 -0.29 -4.25 117.98 113.67 1ixr s PHE 62 Ca 0.34 -0.10 -0.16 0.00 0.12 0.00 0.00 56.93 57.13 1ixr s PHE 62 Cb -0.10 -0.02 0.05 0.00 -0.57 0.00 0.00 43.02 42.39 1ixr s PHE 62 CO 0.28 -0.35 1.77 -1.35 -0.10 0.00 0.00 175.22 175.47 1ixr h PRO 63 N 3.95 0.33 -3.66 0.24 0.11 -1.92 -2.35 132.00 128.70 1ixr h PRO 63 Ca -0.31 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 1ixr h PRO 63 Cb 1.19 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.08 1ixr h PRO 63 CO 0.43 0.22 -0.29 0.16 -0.21 0.00 0.00 178.00 178.31 1ixr s ASP 64 N -5.40 0.01 0.31 -2.05 1.47 -1.26 -4.69 116.67 105.05 1ixr s ASP 64 Ca -0.13 -0.52 0.04 0.00 1.18 0.00 0.00 52.55 53.11 1ixr s ASP 64 Cb 0.12 0.37 0.80 0.00 -0.34 0.00 0.00 42.92 43.87 1ixr s ASP 64 CO 0.71 -0.75 1.58 -0.33 0.68 0.00 0.00 175.17 177.07 1ixr h GLU 65 N 2.71 0.03 -0.30 2.11 4.39 -1.95 0.08 114.58 121.66 1ixr h GLU 65 Ca -0.34 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.39 1ixr h GLU 65 Cb 1.21 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 1ixr h GLU 65 CO 0.53 0.02 -0.37 0.93 -1.16 0.00 0.00 179.01 178.96 1ixr h GLU 66 N 0.03 -0.23 -0.17 2.33 3.07 -1.96 0.17 114.58 117.82 1ixr h GLU 66 Ca 0.61 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.53 1ixr h GLU 66 Cb 1.31 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.21 1ixr h GLU 66 CO -0.87 -0.15 -0.49 -0.91 -1.40 0.00 0.00 179.01 175.19 1ixr h ASN 67 N -0.24 -1.57 -0.84 1.42 2.35 -1.40 -0.74 115.58 114.56 1ixr h ASN 67 Ca 0.05 0.20 0.18 0.00 -0.55 0.00 0.00 56.30 56.18 1ixr h ASN 67 Cb 0.38 0.63 -0.16 0.00 0.05 0.00 0.00 38.32 39.22 1ixr h ASN 67 CO -0.41 -0.45 -0.13 0.25 -1.65 0.00 0.00 177.43 175.04 1ixr h LEU 68 N -0.52 -0.64 -0.13 1.61 6.46 -1.07 0.31 115.31 121.32 1ixr h LEU 68 Ca 0.06 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.09 1ixr h LEU 68 Cb 0.66 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 41.01 1ixr h LEU 68 CO -0.44 -0.27 -0.41 0.00 -0.62 0.00 0.00 178.44 176.70 1ixr h ALA 69 N 1.83 -0.77 -0.03 1.25 0.00 0.76 -0.18 119.26 122.13 1ixr h ALA 69 Ca 0.43 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1ixr h ALA 69 Cb 0.73 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1ixr h ALA 69 CO -0.83 -0.92 -0.23 -0.07 0.00 0.00 0.00 179.25 177.19 1ixr h LEU 70 N -0.42 -0.69 -0.90 0.00 -0.00 0.34 0.29 115.31 113.93 1ixr h LEU 70 Ca 0.03 0.10 0.24 0.00 -0.00 0.00 0.00 57.88 58.25 1ixr h LEU 70 Cb 0.50 0.29 -0.16 0.00 -0.00 0.00 0.00 40.66 41.30 1ixr h LEU 70 CO -0.35 -0.30 0.12 0.15 -0.00 0.00 0.00 178.44 178.06 1ixr h PHE 71 N -0.35 0.12 0.00 1.13 3.57 -0.39 1.92 116.94 122.95 1ixr h PHE 71 Ca 0.07 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ixr h PHE 71 Cb 0.45 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1ixr h PHE 71 CO -0.29 -0.31 0.00 0.39 -2.23 0.00 0.00 178.31 175.87 1ixr n GLU 72 N -5.36 0.00 -0.15 1.11 1.02 -0.13 -1.35 120.64 115.78 1ixr n GLU 72 Ca 0.21 0.28 -0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1ixr n GLU 72 Cb 0.69 -1.09 0.02 0.00 -0.02 0.00 0.00 31.44 31.04 1ixr n GLU 72 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ixr n LEU 73 N -1.34 -0.24 -0.01 -4.62 7.94 0.02 0.37 117.00 119.11 1ixr n LEU 73 Ca 0.00 0.69 -0.11 0.00 -1.11 0.00 0.00 56.01 55.49 1ixr n LEU 73 Cb 0.00 -0.17 -0.04 0.00 0.53 0.00 0.00 43.42 43.74 1ixr n LEU 73 CO 0.00 -0.63 0.64 0.25 -1.11 0.00 0.00 177.39 176.54 1ixr h LEU 74 N 0.00 -1.05 -2.48 -1.96 7.12 0.30 0.32 115.31 117.57 1ixr h LEU 74 Ca 0.15 0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.33 1ixr h LEU 74 Cb 0.25 0.45 -0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1ixr h LEU 74 CO -0.40 -0.37 0.13 -0.07 -0.13 0.00 0.00 178.44 177.60 1ixr h LEU 75 N -0.40 0.00 -0.90 2.25 3.38 0.79 -1.44 115.31 118.99 1ixr h LEU 75 Ca 0.10 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1ixr h LEU 75 Cb 0.56 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1ixr h LEU 75 CO -0.37 0.00 0.52 -1.28 0.09 0.00 0.00 178.44 177.39 1ixr h SER 76 N 0.00 0.70 -4.09 -0.43 0.87 0.17 -3.43 113.55 107.34 1ixr h SER 76 Ca 0.03 0.07 -0.53 0.00 -1.23 0.00 0.00 61.79 60.13 1ixr h SER 76 Cb 0.28 -0.06 0.11 0.00 -0.44 0.00 0.00 62.40 62.30 1ixr h SER 76 CO -0.00 0.34 0.49 -0.69 -0.53 0.00 0.00 176.83 176.44 1ixr s VAL 77 N -5.97 2.58 -0.09 2.23 1.01 -0.54 -4.96 120.40 114.65 1ixr s VAL 77 Ca -0.12 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1ixr s VAL 77 Cb 0.22 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1ixr s VAL 77 CO 0.79 -0.07 1.14 -0.44 0.00 0.00 0.00 175.10 176.52 1ixr s SER 78 N -1.50 7.10 0.00 3.32 0.01 -1.26 -3.44 113.70 117.94 1ixr s SER 78 Ca 0.76 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1ixr s SER 78 Cb -0.32 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.36 1ixr s SER 78 CO 0.35 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ixr n GLY 79 N 3.30 2.87 3.71 3.44 0.00 -1.26 -4.94 105.19 112.31 1ixr n GLY 79 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ixr n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ixr s VAL 80 N -2.83 4.91 0.03 1.61 1.01 -1.22 -5.04 120.40 118.86 1ixr s VAL 80 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1ixr s VAL 80 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1ixr s VAL 80 CO 0.00 0.17 0.02 0.61 0.00 0.00 0.00 175.10 175.90 1ixr n GLY 81 N 2.97 3.18 0.25 4.51 0.00 -1.26 -4.68 105.19 110.17 1ixr n GLY 81 Ca 0.04 -2.18 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 1ixr n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ixr h PRO 82 N 0.00 0.84 0.24 1.61 0.11 -1.96 0.20 132.00 133.04 1ixr h PRO 82 Ca -0.02 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1ixr h PRO 82 Cb 0.06 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1ixr h PRO 82 CO 0.03 0.68 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.97 1ixr h LYS 83 N 0.79 -0.54 0.32 1.05 3.64 -1.98 0.49 116.57 120.35 1ixr h LYS 83 Ca 0.20 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1ixr h LYS 83 Cb 0.12 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1ixr h LYS 83 CO -0.03 -0.36 -0.44 0.28 -2.27 0.00 0.00 179.45 176.64 1ixr h VAL 84 N -0.56 0.13 -0.73 2.00 2.07 -1.94 0.49 116.25 117.71 1ixr h VAL 84 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1ixr h VAL 84 Cb 0.50 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 1ixr h VAL 84 CO -0.07 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.56 1ixr h ALA 85 N -0.46 0.80 0.16 1.67 0.00 -0.88 0.36 119.26 120.92 1ixr h ALA 85 Ca -0.02 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ixr h ALA 85 Cb 0.75 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ixr h ALA 85 CO -0.13 -0.41 -0.25 -0.07 0.00 0.00 0.00 179.25 178.39 1ixr h LEU 86 N 0.13 -0.69 0.00 0.00 3.38 0.14 0.76 115.31 119.04 1ixr h LEU 86 Ca 0.40 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ixr h LEU 86 Cb 0.70 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ixr h LEU 86 CO -0.62 -0.34 0.00 0.00 0.09 0.00 0.00 178.44 177.57 1ixr n ALA 87 N -2.56 -0.10 -0.34 1.53 0.00 0.16 0.14 120.51 119.34 1ixr n ALA 87 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1ixr n ALA 87 Cb 0.28 0.40 0.06 0.00 0.00 0.00 0.00 19.45 20.19 1ixr n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ixr n LEU 88 N -2.80 -0.51 0.08 0.00 4.77 -0.19 0.18 117.00 118.53 1ixr n LEU 88 Ca 0.00 1.56 0.01 0.00 -0.03 0.00 0.00 56.01 57.55 1ixr n LEU 88 Cb 0.00 -0.39 0.34 0.00 -2.33 0.00 0.00 43.42 41.04 1ixr n LEU 88 CO 0.00 -1.43 0.87 -0.07 -1.33 0.00 0.00 177.39 175.44 1ixr h LEU 89 N 0.00 0.31 -0.59 2.23 3.38 0.17 -2.31 115.31 118.51 1ixr h LEU 89 Ca 0.35 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1ixr h LEU 89 Cb 0.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ixr h LEU 89 CO -0.90 0.47 -0.31 0.28 0.09 0.00 0.00 178.44 178.08 1ixr h SER 90 N 0.31 0.00 0.00 -0.43 0.02 1.04 -3.41 113.55 111.08 1ixr h SER 90 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ixr h SER 90 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1ixr h SER 90 CO 0.02 0.31 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 1ixr n ALA 91 N -2.21 0.00 -1.81 3.77 0.00 0.20 -4.48 120.51 115.98 1ixr n ALA 91 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1ixr n ALA 91 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1ixr n ALA 91 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1ixr s LEU 92 N 0.00 4.02 0.50 0.00 2.34 -1.20 -5.02 118.68 119.32 1ixr s LEU 92 Ca 0.00 1.76 -0.21 0.00 0.06 0.00 0.00 54.13 55.73 1ixr s LEU 92 Cb 0.00 -4.42 -0.08 0.00 -0.56 0.00 0.00 46.19 41.13 1ixr s LEU 92 CO 0.00 -0.34 0.96 -2.65 -1.06 0.00 0.00 176.35 173.26 1ixr n PRO 93 N -0.39 1.13 0.01 1.48 -0.02 -1.26 -4.69 135.00 131.25 1ixr n PRO 93 Ca 0.06 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1ixr n PRO 93 Cb 0.53 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1ixr n PRO 93 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ixr h PRO 94 N 1.04 -0.37 -0.56 0.52 0.13 -1.95 0.47 132.00 131.28 1ixr h PRO 94 Ca -0.46 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1ixr h PRO 94 Cb 1.35 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.50 1ixr h PRO 94 CO 0.54 -0.25 -0.33 -2.13 -0.23 0.00 0.00 178.00 175.60 1ixr n ARG 95 N -4.34 -0.25 -0.04 0.86 0.63 -1.26 0.18 116.66 112.45 1ixr n ARG 95 Ca -0.04 1.13 0.15 0.00 -0.92 0.00 0.00 57.85 58.17 1ixr n ARG 95 Cb 0.24 -1.67 0.58 0.00 0.45 0.00 0.00 32.46 32.05 1ixr n ARG 95 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ixr h LEU 96 N 0.00 0.21 -0.21 6.15 6.46 -1.82 0.57 115.31 126.68 1ixr h LEU 96 Ca 0.09 0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.64 1ixr h LEU 96 Cb 0.23 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1ixr h LEU 96 CO -0.53 0.12 -0.92 0.25 -0.62 0.00 0.00 178.44 176.75 1ixr h LEU 97 N 0.24 0.44 0.13 2.25 5.85 0.42 -1.39 115.31 123.24 1ixr h LEU 97 Ca 0.26 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ixr h LEU 97 Cb 0.70 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ixr h LEU 97 CO -0.05 1.15 -0.06 0.00 -0.34 0.00 0.00 178.44 179.14 1ixr h ALA 98 N 0.82 -0.18 0.06 1.25 0.00 0.31 0.27 119.26 121.79 1ixr h ALA 98 Ca -0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ixr h ALA 98 Cb 1.55 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ixr h ALA 98 CO 0.15 -0.56 -0.07 -0.09 0.00 0.00 0.00 179.25 178.68 1ixr h ARG 99 N -0.26 -0.13 -0.83 0.00 9.65 -1.30 -0.35 114.38 121.17 1ixr h ARG 99 Ca -0.02 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.01 1ixr h ARG 99 Cb 0.20 0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 28.67 1ixr h ARG 99 CO 0.03 -0.08 -0.30 0.00 2.80 0.00 0.00 179.97 182.42 1ixr n ALA 100 N -2.35 -0.04 -0.32 2.80 0.00 -0.53 0.10 120.51 120.18 1ixr n ALA 100 Ca -0.02 0.84 0.01 0.00 0.00 0.00 0.00 53.44 54.27 1ixr n ALA 100 Cb 0.06 -0.41 0.14 0.00 0.00 0.00 0.00 19.45 19.25 1ixr n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ixr h LEU 101 N 0.00 0.86 0.15 0.00 3.38 -0.16 0.89 115.31 120.43 1ixr h LEU 101 Ca 0.31 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1ixr h LEU 101 Cb 0.52 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ixr h LEU 101 CO -0.83 0.56 -0.07 0.25 0.09 0.00 0.00 178.44 178.44 1ixr h LEU 102 N 1.00 -0.17 -0.23 1.67 6.46 0.25 -3.33 115.31 120.96 1ixr h LEU 102 Ca 0.38 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.20 1ixr h LEU 102 Cb 0.15 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.06 1ixr h LEU 102 CO -0.17 -0.09 -0.24 -0.33 -0.62 0.00 0.00 178.44 176.99 1ixr h GLU 103 N -0.26 -0.25 0.00 1.25 5.08 -1.02 -2.61 114.58 116.77 1ixr h GLU 103 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ixr h GLU 103 Cb 0.15 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ixr h GLU 103 CO 0.03 -0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.29 1ixr n GLY 104 N -1.38 1.41 3.45 -3.84 0.00 0.30 -4.87 105.19 100.26 1ixr n GLY 104 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ixr n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ixr n ASP 105 N 0.00 3.19 0.31 1.61 10.43 -0.84 -4.60 116.55 126.65 1ixr n ASP 105 Ca 0.00 -2.73 0.19 0.00 2.57 0.00 0.00 54.79 54.83 1ixr n ASP 105 Cb 0.00 -1.59 0.96 0.00 1.84 0.00 0.00 41.12 42.33 1ixr n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ixr h ALA 106 N 8.92 1.05 0.12 2.24 0.00 -1.90 0.23 119.26 129.93 1ixr h ALA 106 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ixr h ALA 106 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ixr h ALA 106 CO 1.44 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 180.66 1ixr h ARG 107 N 0.00 -0.16 -0.41 0.00 3.08 -1.90 -2.60 114.38 112.39 1ixr h ARG 107 Ca -0.00 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1ixr h ARG 107 Cb 0.23 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1ixr h ARG 107 CO 0.00 0.32 -0.07 1.25 -1.07 0.00 0.00 179.97 180.41 1ixr h LEU 108 N -0.77 0.69 0.60 3.04 6.46 -1.67 -2.74 115.31 120.91 1ixr h LEU 108 Ca -0.02 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 1ixr h LEU 108 Cb 0.55 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1ixr h LEU 108 CO 0.03 0.80 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.29 1ixr h LEU 109 N 0.65 -0.68 -0.96 2.25 3.38 -0.66 -1.68 115.31 117.61 1ixr h LEU 109 Ca 0.12 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.38 1ixr h LEU 109 Cb 0.50 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 1ixr h LEU 109 CO 0.03 -0.46 0.47 0.74 0.09 0.00 0.00 178.44 179.31 1ixr h THR 110 N -0.85 0.33 0.00 0.22 2.02 -1.40 -3.00 112.91 110.25 1ixr h THR 110 Ca -0.08 -0.11 -0.53 0.00 0.77 0.00 0.00 66.41 66.46 1ixr h THR 110 Cb 0.63 -0.02 0.07 0.00 -1.74 0.00 0.00 68.15 67.10 1ixr h THR 110 CO 0.13 0.06 1.91 -1.20 0.37 0.00 0.00 175.52 176.79 1ixr n SER 111 N -5.09 2.08 0.00 4.18 7.64 -0.63 -4.18 113.62 117.62 1ixr n SER 111 Ca 0.28 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1ixr n SER 111 Cb 0.86 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1ixr n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixr n ALA 112 N 7.26 0.00 -0.81 -0.43 0.00 -1.13 -4.87 120.51 120.52 1ixr n ALA 112 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 1ixr n ALA 112 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 1ixr n ALA 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ixr n SER 113 N 0.00 -1.54 -0.58 0.00 2.88 -1.26 0.13 113.62 113.24 1ixr n SER 113 Ca 0.00 0.54 -0.08 0.00 -1.33 0.00 0.00 58.87 58.00 1ixr n SER 113 Cb 0.00 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1ixr n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ixr n GLY 114 N 1.39 0.96 3.51 0.46 0.00 -1.26 -4.43 105.19 105.82 1ixr n GLY 114 Ca 0.08 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1ixr n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ixr n VAL 115 N -2.73 -0.02 -3.40 1.61 0.24 0.12 -4.88 118.33 109.27 1ixr n VAL 115 Ca -0.08 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 1ixr n VAL 115 Cb 0.27 -0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 31.59 1ixr n VAL 115 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ixr s GLY 116 N 8.39 2.03 0.00 7.63 0.00 -1.26 -4.98 107.32 119.12 1ixr s GLY 116 Ca 1.25 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1ixr s GLY 116 CO 0.43 0.84 0.24 -2.13 0.00 0.00 0.00 173.10 172.49 1ixr n ARG 117 N 4.68 0.00 0.23 2.90 0.00 -1.26 -1.57 116.66 121.64 1ixr n ARG 117 Ca -0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.85 1ixr n ARG 117 Cb 0.51 -0.69 0.53 0.00 0.00 0.00 0.00 32.46 32.81 1ixr n ARG 117 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1ixr h ARG 118 N 0.00 0.00 -0.28 -0.14 -0.00 -1.97 -2.82 114.38 109.18 1ixr h ARG 118 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1ixr h ARG 118 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1ixr h ARG 118 CO 0.00 0.24 0.05 1.25 -0.00 0.00 0.00 179.97 181.51 1ixr h LEU 119 N 0.00 0.43 -1.81 0.08 5.85 -1.97 0.31 115.31 118.20 1ixr h LEU 119 Ca -0.00 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1ixr h LEU 119 Cb 0.55 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1ixr h LEU 119 CO 0.03 0.57 0.38 0.00 -0.34 0.00 0.00 178.44 179.09 1ixr h ALA 120 N 0.88 2.24 0.45 1.25 0.00 -1.04 -0.36 119.26 122.68 1ixr h ALA 120 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ixr h ALA 120 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ixr h ALA 120 CO 0.00 -0.39 -0.21 0.93 0.00 0.00 0.00 179.25 179.58 1ixr h GLU 121 N 0.20 -0.58 -0.12 0.00 5.08 -0.93 -1.71 114.58 116.52 1ixr h GLU 121 Ca 0.26 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1ixr h GLU 121 Cb 0.77 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1ixr h GLU 121 CO -0.05 -0.32 -0.16 -0.09 -1.00 0.00 0.00 179.01 177.39 1ixr h ARG 122 N -1.10 -0.11 -1.70 2.33 2.43 0.34 0.95 114.38 117.52 1ixr h ARG 122 Ca -0.06 0.01 0.52 0.00 -0.81 0.00 0.00 59.98 59.64 1ixr h ARG 122 Cb 0.52 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1ixr h ARG 122 CO 0.10 -0.07 1.19 -0.89 -1.51 0.00 0.00 179.97 178.78 1ixr n ILE 123 N -3.47 -0.09 0.00 1.20 5.41 -0.22 0.03 119.36 122.21 1ixr n ILE 123 Ca -0.01 1.56 0.00 0.00 1.00 0.00 0.00 62.75 65.30 1ixr n ILE 123 Cb 0.10 -2.58 0.00 0.00 -0.71 0.00 0.00 39.64 36.44 1ixr n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ixr n ALA 124 N -2.76 -0.03 -0.36 -1.39 0.00 0.30 -2.76 120.51 113.52 1ixr n ALA 124 Ca 0.42 0.00 0.34 0.00 0.00 0.00 0.00 53.44 54.20 1ixr n ALA 124 Cb 1.80 0.00 0.61 0.00 0.00 0.00 0.00 19.45 21.86 1ixr n ALA 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ixr n LEU 125 N -1.41 0.31 -0.02 0.00 7.94 0.56 -0.76 117.00 123.62 1ixr n LEU 125 Ca 0.00 1.58 -0.03 0.00 -1.11 0.00 0.00 56.01 56.46 1ixr n LEU 125 Cb 0.00 -0.77 0.22 0.00 0.53 0.00 0.00 43.42 43.40 1ixr n LEU 125 CO 0.00 -1.76 0.84 -0.08 -1.11 0.00 0.00 177.39 175.28 1ixr h GLU 126 N 0.00 0.58 -0.22 1.96 4.57 -0.51 -3.20 114.58 117.76 1ixr h GLU 126 Ca 0.86 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.87 1ixr h GLU 126 Cb 2.40 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.93 1ixr h GLU 126 CO -0.69 0.68 0.00 1.28 -1.18 0.00 0.00 179.01 179.10 1ixr n LEU 127 N -4.20 2.53 -4.68 1.64 4.77 0.06 -4.84 117.00 112.28 1ixr n LEU 127 Ca 0.01 -1.63 -0.46 0.00 -0.03 0.00 0.00 56.01 53.90 1ixr n LEU 127 Cb 0.33 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1ixr n LEU 127 CO 0.41 0.59 1.37 1.17 -1.33 0.00 0.00 177.39 179.60 1ixr n LYS 128 N 0.53 2.35 0.00 3.23 4.81 -0.60 -1.67 118.16 126.80 1ixr n LYS 128 Ca 0.09 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1ixr n LYS 128 Cb 0.36 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1ixr n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ixr n GLY 129 N 3.96 1.53 0.00 3.14 0.00 -0.98 -4.73 105.19 108.11 1ixr n GLY 129 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ixr n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ixr n LYS 130 N 0.00 0.00 -4.79 1.61 5.02 -0.67 -4.47 118.16 114.86 1ixr n LYS 130 Ca 0.00 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 1ixr n LYS 130 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.38 1ixr n LYS 130 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ixr s VAL 131 N -2.10 3.31 -0.24 -0.18 1.01 -1.19 -5.00 120.40 116.02 1ixr s VAL 131 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1ixr s VAL 131 Cb 0.00 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.21 1ixr s VAL 131 CO 0.00 0.59 1.16 -2.16 0.00 0.00 0.00 175.10 174.69 1ixr s PRO 132 N -0.76 0.36 0.00 2.72 0.04 -1.26 -4.84 135.00 131.26 1ixr s PRO 132 Ca 0.12 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1ixr s PRO 132 Cb -0.11 0.17 0.00 0.00 0.04 0.00 0.00 34.50 34.61 1ixr s PRO 132 CO 0.01 -0.09 0.00 -2.30 0.04 0.00 0.00 177.00 174.66 1ixr n PRO 133 N 1.14 0.00 -1.64 0.56 -0.02 -1.26 -4.39 135.00 129.39 1ixr n PRO 133 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 1ixr n PRO 133 Cb 0.57 -0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.03 1ixr n PRO 133 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1ixr n HIS 134 N 0.00 3.05 -2.13 6.00 -0.00 -1.26 -4.29 115.22 116.59 1ixr n HIS 134 Ca 0.00 -2.49 -0.02 0.00 -0.00 0.00 0.00 57.72 55.21 1ixr n HIS 134 Cb 0.00 -2.29 -0.02 0.00 -0.00 0.00 0.00 29.99 27.68 1ixr n HIS 134 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1ixr n LEU 135 N 7.26 -0.11 -0.19 0.27 7.94 -1.26 -4.85 117.00 126.05 1ixr n LEU 135 Ca 0.51 -1.64 0.07 0.00 -1.11 0.00 0.00 56.01 53.84 1ixr n LEU 135 Cb 0.41 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.32 1ixr n LEU 135 CO 0.92 0.95 0.12 0.18 -1.11 0.00 0.00 177.39 178.45 1ixr n LEU 136 N 0.13 1.16 -3.49 -1.96 7.99 -1.26 -4.74 117.00 114.83 1ixr n LEU 136 Ca -0.09 -0.64 -0.02 0.00 -0.01 0.00 0.00 56.01 55.25 1ixr n LEU 136 Cb 0.78 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 44.04 1ixr n LEU 136 CO -0.06 0.24 0.15 0.00 -1.51 0.00 0.00 177.39 176.21 1ixr s ALA 137 N -2.08 -1.79 -0.52 -1.18 0.00 -1.26 -4.81 121.76 110.11 1ixr s ALA 137 Ca 0.09 1.87 -0.42 0.00 0.00 0.00 0.00 51.96 53.51 1ixr s ALA 137 Cb 0.12 -1.76 -0.18 0.00 0.00 0.00 0.00 23.12 21.29 1ixr s ALA 137 CO 0.48 -1.03 2.19 0.41 0.00 0.00 0.00 175.76 177.82 1ixr n GLY 138 N 5.42 -0.10 3.70 0.00 0.00 -1.26 -4.78 105.19 108.18 1ixr n GLY 138 Ca -0.08 1.10 -0.58 0.00 0.00 0.00 0.00 46.02 46.47 1ixr n GLY 138 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ixr n GLU 139 N 7.67 1.10 -3.33 1.61 2.13 -1.26 -4.95 120.64 123.61 1ixr n GLU 139 Ca 0.54 0.40 -0.05 0.00 0.66 0.00 0.00 57.16 58.71 1ixr n GLU 139 Cb 0.00 -2.08 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 1ixr n GLU 139 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ixr s LYS 140 N 3.29 0.41 0.25 5.31 2.20 -1.26 -5.13 119.74 124.80 1ixr s LYS 140 Ca 0.98 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 57.02 1ixr s LYS 140 Cb -1.08 -0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.06 1ixr s LYS 140 CO 0.65 -0.59 1.09 0.08 -0.36 0.00 0.00 175.35 176.22 1ixr s VAL 141 N 2.65 3.62 0.00 4.02 1.01 -1.26 -5.04 120.40 125.39 1ixr s VAL 141 Ca 0.13 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1ixr s VAL 141 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ixr s VAL 141 CO -0.17 0.34 0.00 -0.62 0.00 0.00 0.00 175.10 174.65 1ixr n GLU 142 N 1.56 0.00 -3.53 2.72 4.71 -1.26 -5.05 120.64 119.79 1ixr n GLU 142 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 1ixr n GLU 142 Cb 0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.87 1ixr n GLU 142 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1ixr s SER 143 N -1.11 5.83 -1.00 1.62 0.01 -1.26 -4.99 113.70 112.80 1ixr s SER 143 Ca 0.00 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.75 1ixr s SER 143 Cb 0.00 -1.17 -0.16 0.00 0.21 0.00 0.00 66.02 64.91 1ixr s SER 143 CO 0.00 -0.42 2.15 -0.70 0.41 0.00 0.00 173.24 174.67 1ixr s GLU 144 N -4.14 1.68 0.37 12.44 2.12 -1.26 -4.73 118.70 125.17 1ixr s GLU 144 Ca 0.44 -0.28 0.25 0.00 0.36 0.00 0.00 54.97 55.75 1ixr s GLU 144 Cb -0.09 -4.98 1.29 0.00 0.26 0.00 0.00 34.13 30.61 1ixr s GLU 144 CO 0.30 -4.71 1.40 0.00 -0.54 0.00 0.00 175.26 171.71 1ixr n ALA 145 N 17.85 1.12 -0.90 6.30 0.00 -1.26 0.11 120.51 143.73 1ixr n ALA 145 Ca 0.43 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.69 1ixr n ALA 145 Cb 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ixr n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixr n ALA 146 N -2.47 -0.04 -0.23 0.00 0.00 -1.26 0.61 120.51 117.12 1ixr n ALA 146 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 1ixr n ALA 146 Cb 1.31 0.06 0.02 0.00 0.00 0.00 0.00 19.45 20.84 1ixr n ALA 146 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ixr h GLU 147 N 0.00 -0.12 -1.00 0.00 4.57 -0.97 1.13 114.58 118.19 1ixr h GLU 147 Ca 0.00 0.01 0.37 0.00 -1.18 0.00 0.00 59.36 58.56 1ixr h GLU 147 Cb 0.00 0.03 -0.17 0.00 -0.16 0.00 0.00 28.75 28.45 1ixr h GLU 147 CO 0.00 -0.08 0.54 1.49 -1.18 0.00 0.00 179.01 179.78 1ixr h GLU 148 N -0.12 0.14 0.00 1.92 4.81 0.83 0.44 114.58 122.59 1ixr h GLU 148 Ca 0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ixr h GLU 148 Cb 0.55 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1ixr h GLU 148 CO -0.72 0.09 0.00 0.00 -0.73 0.00 0.00 179.01 177.65 1ixr n ALA 149 N -2.30 -0.32 -0.01 2.92 0.00 0.39 -1.91 120.51 119.28 1ixr n ALA 149 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ixr n ALA 149 Cb 1.14 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 20.65 1ixr n ALA 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ixr n VAL 150 N -1.74 -0.02 -0.24 0.00 0.31 0.11 0.58 118.33 117.34 1ixr n VAL 150 Ca 0.00 1.16 0.22 0.00 -0.01 0.00 0.00 64.34 65.71 1ixr n VAL 150 Cb 0.00 -1.54 0.40 0.00 -0.91 0.00 0.00 33.84 31.79 1ixr n VAL 150 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1ixr n MET 151 N -2.85 -0.05 0.28 5.55 2.00 0.96 0.22 117.12 123.24 1ixr n MET 151 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 57.70 58.60 1ixr n MET 151 Cb 0.01 -1.80 -0.06 0.00 0.00 0.00 0.00 33.22 31.38 1ixr n MET 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ixr h ALA 152 N 1.46 -0.84 -0.92 3.04 0.00 0.85 -3.02 119.26 119.83 1ixr h ALA 152 Ca 0.60 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.50 1ixr h ALA 152 Cb 1.55 0.29 -0.16 0.00 0.00 0.00 0.00 17.79 19.47 1ixr h ALA 152 CO -0.58 -0.78 -0.30 1.28 0.00 0.00 0.00 179.25 178.87 1ixr n LEU 153 N -4.94 -0.47 0.06 0.00 4.32 0.59 -0.49 117.00 116.07 1ixr n LEU 153 Ca -0.09 1.59 -0.12 0.00 -0.02 0.00 0.00 56.01 57.37 1ixr n LEU 153 Cb 0.30 -0.42 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 1ixr n LEU 153 CO 0.23 -1.47 0.66 0.00 -1.22 0.00 0.00 177.39 175.58 1ixr h ALA 154 N 1.53 -0.44 0.00 -1.18 0.00 -0.85 0.32 119.26 118.64 1ixr h ALA 154 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ixr h ALA 154 Cb 0.60 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ixr h ALA 154 CO -0.93 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 177.50 1ixr n ALA 155 N -2.75 1.42 0.69 0.00 0.00 0.36 -1.04 120.51 119.19 1ixr n ALA 155 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1ixr n ALA 155 Cb 0.32 -1.11 0.16 0.00 0.00 0.00 0.00 19.45 18.82 1ixr n ALA 155 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ixr n LEU 156 N -1.38 3.21 0.00 0.00 7.99 0.08 -5.01 117.00 121.88 1ixr n LEU 156 Ca 0.03 -1.22 0.00 0.00 -0.01 0.00 0.00 56.01 54.80 1ixr n LEU 156 Cb 0.07 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1ixr n LEU 156 CO 0.06 0.61 0.00 0.61 -1.51 0.00 0.00 177.39 177.16 1ixr n GLY 157 N 1.42 1.58 0.00 -0.72 0.00 -0.21 -5.06 105.19 102.21 1ixr n GLY 157 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1ixr n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ixr n PHE 158 N 0.00 0.00 -1.70 1.61 3.72 -1.24 -4.70 117.46 115.15 1ixr n PHE 158 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1ixr n PHE 158 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1ixr n PHE 158 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ixr n LYS 159 N 0.00 2.54 0.00 -1.08 4.76 -1.26 -3.83 118.16 119.29 1ixr n LYS 159 Ca 0.00 0.92 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 1ixr n LYS 159 Cb 0.00 -2.73 0.00 0.00 -1.84 0.00 0.00 35.03 30.46 1ixr n LYS 159 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ixr n GLU 160 N 3.60 0.00 -0.33 1.97 2.13 -1.26 -1.28 120.64 125.47 1ixr n GLU 160 Ca 0.16 0.09 -0.07 0.00 0.66 0.00 0.00 57.16 57.99 1ixr n GLU 160 Cb 0.33 -0.21 -0.06 0.00 0.27 0.00 0.00 31.44 31.76 1ixr n GLU 160 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ixr n ALA 161 N -0.66 -0.44 -0.33 4.31 0.00 -1.26 0.21 120.51 122.35 1ixr n ALA 161 Ca 0.00 0.70 0.09 0.00 0.00 0.00 0.00 53.44 54.23 1ixr n ALA 161 Cb 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 19.45 19.49 1ixr n ALA 161 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ixr n GLN 162 N -5.03 -0.08 -0.02 0.00 -0.06 -0.40 0.16 117.38 111.95 1ixr n GLN 162 Ca 0.03 1.41 -0.13 0.00 -2.00 0.00 0.00 57.00 56.31 1ixr n GLN 162 Cb 0.23 -2.17 -0.10 0.00 -4.06 0.00 0.00 30.24 24.14 1ixr n GLN 162 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ixr h ALA 163 N 1.84 -0.02 -0.34 1.69 0.00 0.29 -3.25 119.26 119.46 1ixr h ALA 163 Ca 0.50 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ixr h ALA 163 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ixr h ALA 163 CO -0.91 -0.21 0.18 0.07 0.00 0.00 0.00 179.25 178.39 1ixr h ARG 164 N -0.64 0.48 0.00 0.00 0.11 0.22 -2.07 114.38 112.48 1ixr h ARG 164 Ca -0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1ixr h ARG 164 Cb 0.60 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1ixr h ARG 164 CO 0.00 0.41 0.23 0.00 0.10 0.00 0.00 179.97 180.71 1ixr h ALA 165 N 1.05 1.19 -0.00 0.08 0.00 0.14 0.37 119.26 122.08 1ixr h ALA 165 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ixr h ALA 165 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ixr h ALA 165 CO -0.02 -0.19 -0.24 1.33 0.00 0.00 0.00 179.25 180.13 1ixr n VAL 166 N -2.48 0.00 -0.02 0.00 0.24 -1.00 -4.02 118.33 111.05 1ixr n VAL 166 Ca -0.02 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.75 1ixr n VAL 166 Cb 0.27 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 1ixr n VAL 166 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ixr h VAL 167 N 0.16 1.54 0.28 3.34 2.07 -0.26 -2.38 116.25 121.00 1ixr h VAL 167 Ca 0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1ixr h VAL 167 Cb 0.16 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1ixr h VAL 167 CO 0.00 0.55 -0.34 -0.07 0.02 0.00 0.00 177.57 177.73 1ixr h LEU 168 N -0.46 -0.94 -2.08 2.57 -0.00 -1.58 0.31 115.31 113.13 1ixr h LEU 168 Ca -0.04 0.09 0.09 0.00 -0.00 0.00 0.00 57.88 58.02 1ixr h LEU 168 Cb 1.07 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 42.04 1ixr h LEU 168 CO 0.06 -0.46 0.34 -0.78 -0.00 0.00 0.00 178.44 177.60 1ixr h ASP 169 N -0.67 0.00 0.01 -0.43 3.58 -1.70 0.12 116.42 117.33 1ixr h ASP 169 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1ixr h ASP 169 Cb 0.63 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.69 1ixr h ASP 169 CO -0.10 0.00 -0.73 -0.07 -2.88 0.00 0.00 179.24 175.46 1ixr h LEU 170 N 0.00 0.63 -2.07 2.28 3.38 -0.46 -2.97 115.31 116.10 1ixr h LEU 170 Ca 0.15 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1ixr h LEU 170 Cb 0.83 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ixr h LEU 170 CO -0.00 1.31 -0.01 -0.07 0.09 0.00 0.00 178.44 179.76 1ixr h LEU 171 N 0.02 0.00 0.00 1.67 3.38 0.88 0.50 115.31 121.76 1ixr h LEU 171 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ixr h LEU 171 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1ixr h LEU 171 CO 0.14 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1ixr n ALA 172 N -2.10 -0.05 -0.07 1.53 0.00 -0.13 -0.25 120.51 119.45 1ixr n ALA 172 Ca -0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.68 1ixr n ALA 172 Cb 0.21 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.28 1ixr n ALA 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ixr h GLN 173 N 0.00 0.00 -1.74 0.00 3.07 -1.48 -3.26 115.11 111.69 1ixr h GLN 173 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.40 1ixr h GLN 173 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 27.28 1ixr h GLN 173 CO 0.00 0.00 -0.69 -0.80 0.09 0.00 0.00 178.83 177.43 1ixr s ASN 174 N -4.42 0.39 0.31 0.06 0.01 0.16 -5.02 114.94 106.42 1ixr s ASN 174 Ca -0.04 -1.90 0.08 0.00 -0.71 0.00 0.00 52.86 50.29 1ixr s ASN 174 Cb 0.15 0.76 0.83 0.00 0.41 0.00 0.00 41.25 43.40 1ixr s ASN 174 CO 0.53 -0.18 1.72 -0.65 -1.51 0.00 0.00 177.10 177.00 1ixr h PRO 175 N 6.25 0.52 -6.47 -0.60 0.11 -0.67 -3.37 132.00 127.76 1ixr h PRO 175 Ca 0.10 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.62 1ixr h PRO 175 Cb 1.05 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 1ixr h PRO 175 CO 0.19 0.34 0.89 -1.59 -0.21 0.00 0.00 178.00 177.62 1ixr s LYS 176 N -5.81 3.91 -0.43 1.05 -2.85 -1.26 -4.93 119.74 109.42 1ixr s LYS 176 Ca -0.11 0.90 0.06 0.00 -1.00 0.00 0.00 55.97 55.82 1ixr s LYS 176 Cb 0.26 -3.82 0.18 0.00 -2.06 0.00 0.00 37.83 32.40 1ixr s LYS 176 CO 0.79 -1.12 0.70 0.00 0.10 0.00 0.00 175.35 175.83 1ixr s ALA 177 N 4.06 -2.51 0.31 0.59 0.00 -1.26 -5.03 121.76 117.93 1ixr s ALA 177 Ca 0.48 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1ixr s ALA 177 Cb -0.11 -2.76 -0.13 0.00 0.00 0.00 0.00 23.12 20.12 1ixr s ALA 177 CO 0.23 -2.25 1.21 2.89 0.00 0.00 0.00 175.76 177.83 1ixr n ARG 178 N 3.90 1.85 -0.31 0.00 1.85 -1.26 -4.48 116.66 118.21 1ixr n ARG 178 Ca 0.13 0.65 0.10 0.00 -1.00 0.00 0.00 57.85 57.73 1ixr n ARG 178 Cb 0.57 -2.17 0.21 0.00 -1.05 0.00 0.00 32.46 30.03 1ixr n ARG 178 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ixr n ALA 179 N 0.48 0.37 -1.00 2.89 0.00 -1.26 0.59 120.51 122.58 1ixr n ALA 179 Ca 0.07 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1ixr n ALA 179 Cb 0.34 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1ixr n ALA 179 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ixr n GLN 180 N -5.35 0.00 0.28 0.00 7.27 -1.26 0.38 117.38 118.70 1ixr n GLN 180 Ca 0.18 0.12 0.07 0.00 0.07 0.00 0.00 57.00 57.44 1ixr n GLN 180 Cb 0.60 -0.72 0.25 0.00 2.41 0.00 0.00 30.24 32.78 1ixr n GLN 180 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1ixr h ASP 181 N 0.00 0.00 0.00 1.69 5.19 -1.62 0.26 116.42 121.95 1ixr h ASP 181 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ixr h ASP 181 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ixr h ASP 181 CO 0.00 0.00 -0.17 0.25 -3.12 0.00 0.00 179.24 176.20 1ixr h LEU 182 N 0.00 0.00 -0.23 1.55 5.85 0.16 -3.29 115.31 119.35 1ixr h LEU 182 Ca 0.05 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ixr h LEU 182 Cb 1.74 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1ixr h LEU 182 CO -0.00 0.57 -0.26 0.40 -0.34 0.00 0.00 178.44 178.81 1ixr h ILE 183 N -0.98 0.00 0.00 4.05 2.04 1.05 -2.53 117.51 121.14 1ixr h ILE 183 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ixr h ILE 183 Cb 0.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1ixr h ILE 183 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1ixr n LYS 184 N -3.95 0.00 0.14 2.37 5.02 -0.67 0.60 118.16 121.67 1ixr n LYS 184 Ca -0.01 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1ixr n LYS 184 Cb 0.15 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ixr n LYS 184 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ixr n GLU 185 N -1.97 0.01 -0.05 1.97 4.07 -1.11 0.22 120.64 123.78 1ixr n GLU 185 Ca 0.00 0.41 -0.18 0.00 -0.06 0.00 0.00 57.16 57.33 1ixr n GLU 185 Cb 0.00 -1.92 -0.13 0.00 -0.06 0.00 0.00 31.44 29.33 1ixr n GLU 185 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ixr h ALA 186 N 0.00 0.08 -0.96 4.31 0.00 0.59 -3.22 119.26 120.07 1ixr h ALA 186 Ca 0.00 -0.80 0.25 0.00 0.00 0.00 0.00 54.91 54.35 1ixr h ALA 186 Cb 1.27 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 1ixr h ALA 186 CO 0.00 0.36 0.51 -0.07 0.00 0.00 0.00 179.25 180.05 1ixr h LEU 187 N -0.80 0.51 0.47 0.00 4.07 0.29 0.71 115.31 120.56 1ixr h LEU 187 Ca -0.16 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1ixr h LEU 187 Cb 1.29 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1ixr h LEU 187 CO -0.02 0.03 -0.51 0.50 -1.08 0.00 0.00 178.44 177.36 1ixr h LYS 188 N 0.47 -0.95 0.00 1.13 3.64 -1.60 0.94 116.57 120.20 1ixr h LYS 188 Ca 0.62 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.07 1ixr h LYS 188 Cb 1.22 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1ixr h LYS 188 CO -0.52 -0.63 0.00 -2.13 -2.27 0.00 0.00 179.45 173.90 1ixr n ARG 189 N -5.56 0.89 -0.08 1.90 0.63 0.04 -2.56 116.66 111.92 1ixr n ARG 189 Ca -0.12 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.86 1ixr n ARG 189 Cb 0.46 -1.41 0.09 0.00 0.45 0.00 0.00 32.46 32.05 1ixr n ARG 189 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ixr n LEU 190 N -0.91 2.32 0.00 6.15 4.77 0.23 -5.08 117.00 124.48 1ixr n LEU 190 Ca 0.18 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1ixr n LEU 190 Cb 0.08 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ixr n LEU 190 CO 0.13 0.54 0.09 0.54 -1.33 0.00 0.00 177.39 177.36