#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ixl n GLU 3 N 0.00 0.00 0.13 1.09 -0.58 -1.25 -4.72 120.64 115.31 2ixl n GLU 3 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 2ixl n GLU 3 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2ixl n GLU 3 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2ixl h ASN 4 N 0.00 -0.36 0.00 1.62 -1.24 -2.03 -3.47 115.58 110.10 2ixl h ASN 4 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2ixl h ASN 4 Cb 0.00 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2ixl h ASN 4 CO 0.00 0.08 -0.09 0.33 -1.29 0.00 0.00 177.43 176.46 2ixl n PHE 5 N -4.99 -0.75 -3.20 0.67 7.35 -1.26 -5.00 117.46 110.27 2ixl n PHE 5 Ca -0.05 0.13 -0.36 0.00 -0.76 0.00 0.00 57.45 56.41 2ixl n PHE 5 Cb 0.17 0.46 -0.06 0.00 0.35 0.00 0.00 39.48 40.40 2ixl n PHE 5 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2ixl s PHE 6 N -2.00 3.62 -0.80 -5.13 0.40 -1.26 -4.42 117.98 108.39 2ixl s PHE 6 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 2ixl s PHE 6 Cb 0.00 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 41.01 2ixl s PHE 6 CO 0.00 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.69 2ixl n GLY 7 N 0.72 0.73 3.76 4.36 0.00 -0.30 0.90 105.19 115.36 2ixl n GLY 7 Ca -0.03 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2ixl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ixl s LYS 8 N -3.15 2.94 0.12 1.61 1.02 -1.26 -2.82 119.74 118.20 2ixl s LYS 8 Ca 0.00 1.72 -0.30 0.00 0.02 0.00 0.00 55.97 57.41 2ixl s LYS 8 Cb 0.00 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 2ixl s LYS 8 CO 0.00 -1.20 0.99 0.99 -0.92 0.00 0.00 175.35 175.20 2ixl s THR 9 N -1.77 4.40 0.10 2.17 2.01 -1.26 -3.85 115.64 117.44 2ixl s THR 9 Ca 0.75 1.99 -0.31 0.00 0.31 0.00 0.00 61.69 64.43 2ixl s THR 9 Cb -0.28 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.86 2ixl s THR 9 CO 0.34 0.31 1.84 -0.22 -0.69 0.00 0.00 174.62 176.20 2ixl s LEU 10 N -0.03 4.40 0.08 4.42 2.96 -1.26 -4.72 118.68 124.53 2ixl s LEU 10 Ca 0.48 2.72 -0.20 0.00 -0.22 0.00 0.00 54.13 56.91 2ixl s LEU 10 Cb -0.24 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 42.94 2ixl s LEU 10 CO 0.31 -1.01 0.49 0.00 -1.32 0.00 0.00 176.35 174.82 2ixl s ALA 11 N 3.06 -1.22 0.03 5.97 0.00 -1.13 -4.99 121.76 123.47 2ixl s ALA 11 Ca 0.82 0.38 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2ixl s ALA 11 Cb -0.45 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2ixl s ALA 11 CO 0.37 -0.57 -0.11 0.00 0.00 0.00 0.00 175.76 175.45 2ixl s ALA 12 N -2.97 0.91 -0.05 0.00 0.00 -1.26 -1.32 121.76 117.07 2ixl s ALA 12 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2ixl s ALA 12 Cb -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2ixl s ALA 12 CO -0.06 0.15 -0.09 1.03 0.00 0.00 0.00 175.76 176.79 2ixl s ARG 13 N -1.08 1.21 0.68 0.00 0.52 0.15 -4.98 118.95 115.45 2ixl s ARG 13 Ca -0.01 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 2ixl s ARG 13 Cb -0.07 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.32 2ixl s ARG 13 CO 0.01 0.02 1.08 -1.25 0.02 0.00 0.00 175.30 175.18 2ixl s PRO 14 N 0.60 2.83 -0.37 3.54 0.04 -1.26 -0.98 135.00 139.40 2ixl s PRO 14 Ca -0.10 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 2ixl s PRO 14 Cb -0.13 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2ixl s PRO 14 CO 0.02 -1.20 0.22 0.08 0.04 0.00 0.00 177.00 176.16 2ixl s VAL 15 N -2.66 4.78 0.36 -0.36 1.01 -1.00 -4.86 120.40 117.67 2ixl s VAL 15 Ca 0.63 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2ixl s VAL 15 Cb -0.17 -3.61 0.26 0.00 0.00 0.00 0.00 36.38 32.86 2ixl s VAL 15 CO 0.47 -0.18 2.02 1.05 0.00 0.00 0.00 175.10 178.45 2ixl h GLU 16 N 8.47 0.78 0.00 2.72 4.11 -1.95 -2.44 114.58 126.26 2ixl h GLU 16 Ca -0.27 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.10 2ixl h GLU 16 Cb 1.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2ixl h GLU 16 CO 0.67 0.52 -0.02 0.00 0.07 0.00 0.00 179.01 180.25 2ixl h ALA 17 N 1.63 0.99 -3.05 1.06 0.00 -1.94 -3.39 119.26 114.55 2ixl h ALA 17 Ca 0.22 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.51 2ixl h ALA 17 Cb -0.09 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.30 2ixl h ALA 17 CO -0.05 0.03 -0.75 0.42 0.00 0.00 0.00 179.25 178.90 2ixl s ILE 18 N -3.45 1.18 0.20 0.00 1.01 -0.92 -4.74 121.20 114.48 2ixl s ILE 18 Ca 0.04 -2.09 -0.33 0.00 0.00 0.00 0.00 60.65 58.27 2ixl s ILE 18 Cb 0.07 -1.85 -0.14 0.00 0.01 0.00 0.00 42.46 40.55 2ixl s ILE 18 CO 0.61 -0.81 1.41 -2.65 0.00 0.00 0.00 174.94 173.50 2ixl n PRO 19 N 4.06 1.87 0.00 2.79 -0.02 -1.26 -2.23 135.00 140.21 2ixl n PRO 19 Ca 0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2ixl n PRO 19 Cb 0.38 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2ixl n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ixl n GLY 20 N 2.48 3.39 3.77 -1.23 0.00 -1.26 -4.91 105.19 107.43 2ixl n GLY 20 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2ixl n GLY 20 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ixl s MET 21 N -0.80 4.65 0.00 1.61 0.00 -0.95 -4.55 119.30 119.26 2ixl s MET 21 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 55.69 57.20 2ixl s MET 21 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 34.83 31.81 2ixl s MET 21 CO 0.00 0.31 -0.05 -0.51 0.00 0.00 0.00 175.02 174.76 2ixl s LEU 22 N -1.70 2.04 -0.13 4.11 1.43 -1.10 -2.38 118.68 120.95 2ixl s LEU 22 Ca 0.47 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2ixl s LEU 22 Cb -0.24 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2ixl s LEU 22 CO 0.30 0.03 -0.05 -0.70 0.23 0.00 0.00 176.35 176.17 2ixl s GLU 23 N -0.28 3.40 -0.04 1.70 2.12 -0.16 -0.97 118.70 124.47 2ixl s GLU 23 Ca 0.01 -0.53 0.05 0.00 0.36 0.00 0.00 54.97 54.86 2ixl s GLU 23 Cb -0.03 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2ixl s GLU 23 CO -0.00 0.37 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.85 2ixl s PHE 24 N -0.01 2.57 -0.16 5.30 0.40 -0.25 -0.68 117.98 125.15 2ixl s PHE 24 Ca 0.00 -0.26 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 2ixl s PHE 24 Cb -0.13 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 2ixl s PHE 24 CO 0.03 0.11 0.49 -0.51 0.70 0.00 0.00 175.22 176.04 2ixl s ASP 25 N -0.71 6.61 -0.17 1.36 1.01 -0.43 -1.90 116.67 122.44 2ixl s ASP 25 Ca 0.11 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 54.07 2ixl s ASP 25 Cb -0.10 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 2ixl s ASP 25 CO 0.00 -0.09 -0.04 -0.63 0.21 0.00 0.00 175.17 174.62 2ixl s ILE 26 N 1.14 3.70 0.03 0.77 -1.09 -0.52 -2.85 121.20 122.39 2ixl s ILE 26 Ca 0.25 -0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 57.95 2ixl s ILE 26 Cb -0.15 -2.63 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 2ixl s ILE 26 CO 0.10 0.47 1.73 -2.84 -1.23 0.00 0.00 174.94 173.18 2ixl s PRO 27 N 0.65 4.18 -0.18 2.79 0.02 -1.25 -4.60 135.00 136.60 2ixl s PRO 27 Ca -0.03 2.37 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 2ixl s PRO 27 Cb -0.15 -3.83 0.01 0.00 0.02 0.00 0.00 34.50 30.55 2ixl s PRO 27 CO 0.02 -0.82 -0.14 0.08 -0.33 0.00 0.00 177.00 175.81 2ixl s VAL 28 N 3.43 2.61 -0.28 3.83 1.01 -1.26 -4.33 120.40 125.39 2ixl s VAL 28 Ca 0.77 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2ixl s VAL 28 Cb -0.39 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2ixl s VAL 28 CO 0.34 0.50 0.12 -1.00 0.00 0.00 0.00 175.10 175.06 2ixl s HIS 29 N 1.18 3.15 0.08 5.22 3.76 -0.41 -1.15 115.29 127.11 2ixl s HIS 29 Ca 0.02 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 2ixl s HIS 29 Cb -0.14 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.20 2ixl s HIS 29 CO -0.06 -0.38 0.17 0.20 -0.85 0.00 0.00 174.74 173.82 2ixl s GLY 30 N 1.63 2.08 0.00 -2.22 0.00 -1.26 -1.39 107.32 106.16 2ixl s GLY 30 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2ixl s GLY 30 CO 0.06 -0.91 0.00 2.09 0.00 0.00 0.00 173.10 174.34 2ixl n ASP 31 N 0.26 0.00 -0.24 1.64 5.68 -0.56 -5.00 116.55 118.32 2ixl n ASP 31 Ca -0.06 -0.75 0.10 0.00 -0.50 0.00 0.00 54.79 53.58 2ixl n ASP 31 Cb 0.52 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.87 2ixl n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2ixl h ASN 32 N 0.00 0.65 0.95 -1.12 -1.07 -2.04 -2.88 115.58 110.07 2ixl h ASN 32 Ca 0.00 0.03 -0.11 0.00 0.07 0.00 0.00 56.30 56.29 2ixl h ASN 32 Cb 0.00 -0.10 -0.02 0.00 -2.07 0.00 0.00 38.32 36.13 2ixl h ASN 32 CO 0.00 0.36 -0.51 0.03 0.07 0.00 0.00 177.43 177.38 2ixl h ARG 33 N 0.71 0.00 0.00 4.14 3.08 -2.01 -3.49 114.38 116.81 2ixl h ARG 33 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2ixl h ARG 33 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2ixl h ARG 33 CO -0.17 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 2ixl n GLY 34 N 0.54 0.43 3.56 0.04 0.00 -1.09 -5.15 105.19 103.52 2ixl n GLY 34 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 2ixl n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ixl s TRP 35 N 0.00 0.20 -0.01 1.61 1.48 -1.26 -1.50 118.94 119.46 2ixl s TRP 35 Ca 0.00 -0.57 0.01 0.00 -1.06 0.00 0.00 56.10 54.49 2ixl s TRP 35 Cb 0.00 0.25 0.00 0.00 -1.16 0.00 0.00 33.47 32.56 2ixl s TRP 35 CO 0.00 -0.96 -0.04 0.12 -4.06 0.00 0.00 176.95 172.01 2ixl s PHE 36 N -3.97 0.42 0.02 1.66 5.36 -0.48 -4.98 117.98 116.01 2ixl s PHE 36 Ca 0.17 -0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2ixl s PHE 36 Cb -0.01 -0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 42.36 2ixl s PHE 36 CO 0.05 -0.03 -0.04 -1.59 -1.46 0.00 0.00 175.22 172.15 2ixl s LYS 37 N 0.07 0.33 -0.90 10.12 -2.85 -1.26 -1.29 119.74 123.96 2ixl s LYS 37 Ca -0.00 -0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 54.25 2ixl s LYS 37 Cb -0.04 -0.08 0.06 0.00 -2.06 0.00 0.00 37.83 35.71 2ixl s LYS 37 CO -0.00 0.01 1.29 -1.21 0.10 0.00 0.00 175.35 175.53 2ixl s GLU 38 N -1.07 3.45 0.23 1.78 2.02 -1.26 -4.90 118.70 118.95 2ixl s GLU 38 Ca -0.09 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 53.81 2ixl s GLU 38 Cb -0.07 -4.88 0.23 0.00 0.10 0.00 0.00 34.13 29.51 2ixl s GLU 38 CO -0.00 -2.07 1.90 -0.97 0.02 0.00 0.00 175.26 174.14 2ixl h ASN 39 N 9.64 0.98 -3.61 -0.19 -0.73 -1.97 -3.43 115.58 116.27 2ixl h ASN 39 Ca 0.03 -0.02 -0.26 0.00 1.87 0.00 0.00 56.30 57.92 2ixl h ASN 39 Cb 1.03 -0.24 -0.31 0.00 0.27 0.00 0.00 38.32 39.07 2ixl h ASN 39 CO 1.30 0.69 -0.70 0.12 -0.37 0.00 0.00 177.43 178.48 2ixl s PHE 40 N -6.12 -0.01 -0.22 0.67 5.36 -1.26 -5.04 117.98 111.36 2ixl s PHE 40 Ca -0.13 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 2ixl s PHE 40 Cb 0.17 -0.12 0.09 0.00 -0.34 0.00 0.00 43.02 42.82 2ixl s PHE 40 CO 0.80 -0.06 0.17 -1.14 -1.46 0.00 0.00 175.22 173.53 2ixl s GLN 41 N 0.62 0.17 0.15 10.12 -0.44 -1.26 -5.06 119.66 123.96 2ixl s GLN 41 Ca -0.05 -0.07 -0.16 0.00 -2.50 0.00 0.00 55.36 52.58 2ixl s GLN 41 Cb -0.07 -1.32 0.05 0.00 -1.64 0.00 0.00 33.01 30.03 2ixl s GLN 41 CO -0.02 -0.78 1.77 -0.22 0.50 0.00 0.00 175.29 176.54 2ixl h LYS 42 N 8.36 0.33 -0.59 1.67 3.64 -2.00 -1.33 116.57 126.65 2ixl h LYS 42 Ca -0.17 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 2ixl h LYS 42 Cb 1.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2ixl h LYS 42 CO 0.32 0.22 0.08 1.49 -2.27 0.00 0.00 179.45 179.30 2ixl h GLU 43 N 0.34 0.95 0.00 1.90 4.81 -2.02 -2.11 114.58 118.46 2ixl h GLU 43 Ca 0.16 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2ixl h GLU 43 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2ixl h GLU 43 CO -0.12 0.89 -0.64 0.87 -0.73 0.00 0.00 179.01 179.27 2ixl h LYS 44 N 0.90 0.00 0.00 1.92 1.57 -1.96 -3.38 116.57 115.62 2ixl h LYS 44 Ca 0.18 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.72 2ixl h LYS 44 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2ixl h LYS 44 CO 0.01 0.64 -1.77 -1.33 -0.57 0.00 0.00 179.45 176.43 2ixl n MET 45 N -3.37 0.64 -0.20 3.15 2.81 -0.52 -4.23 117.12 115.40 2ixl n MET 45 Ca 0.01 0.16 -0.01 0.00 -1.81 0.00 0.00 57.70 56.05 2ixl n MET 45 Cb 0.75 -1.72 0.10 0.00 -0.71 0.00 0.00 33.22 31.64 2ixl n MET 45 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2ixl h LEU 46 N 0.00 0.30 -2.63 4.03 3.38 -1.57 -1.69 115.31 117.12 2ixl h LEU 46 Ca -0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2ixl h LEU 46 Cb 1.82 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2ixl h LEU 46 CO 0.05 0.18 0.00 -0.65 0.09 0.00 0.00 178.44 178.11 2ixl h PRO 47 N 0.46 0.00 -0.01 1.13 0.11 -1.78 -2.24 132.00 129.67 2ixl h PRO 47 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2ixl h PRO 47 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2ixl h PRO 47 CO -0.26 0.00 -0.25 1.28 -0.21 0.00 0.00 178.00 178.56 2ixl n LEU 48 N -3.00 1.56 0.00 2.35 4.77 -0.67 -4.96 117.00 117.05 2ixl n LEU 48 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2ixl n LEU 48 Cb 0.10 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2ixl n LEU 48 CO 0.20 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2ixl n GLY 49 N 1.33 0.99 3.67 -0.72 0.00 -0.84 -4.71 105.19 104.92 2ixl n GLY 49 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2ixl n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ixl n PHE 50 N -0.44 2.53 -2.32 1.61 7.35 -1.03 -4.85 117.46 120.30 2ixl n PHE 50 Ca 0.00 -0.24 -0.42 0.00 -0.76 0.00 0.00 57.45 56.03 2ixl n PHE 50 Cb 0.00 -2.76 -0.03 0.00 0.35 0.00 0.00 39.48 37.04 2ixl n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2ixl s PRO 51 N 3.75 4.39 0.50 -7.13 0.04 -1.26 -4.42 135.00 130.87 2ixl s PRO 51 Ca 0.87 1.89 0.22 0.00 0.04 0.00 0.00 61.00 64.02 2ixl s PRO 51 Cb -0.49 -3.31 1.30 0.00 0.04 0.00 0.00 34.50 32.04 2ixl s PRO 51 CO 0.42 -0.33 1.99 0.93 0.04 0.00 0.00 177.00 180.04 2ixl h GLU 52 N 6.82 0.10 0.00 4.56 3.07 -1.93 -1.96 114.58 125.24 2ixl h GLU 52 Ca -0.42 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2ixl h GLU 52 Cb 1.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2ixl h GLU 52 CO 0.83 0.07 0.02 0.66 -1.40 0.00 0.00 179.01 179.19 2ixl h SER 53 N 0.10 0.00 -0.51 1.42 4.64 -2.00 -1.60 113.55 115.60 2ixl h SER 53 Ca 0.26 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.73 2ixl h SER 53 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2ixl h SER 53 CO -0.03 0.00 0.37 0.15 -0.87 0.00 0.00 176.83 176.45 2ixl h PHE 54 N 0.00 0.00 -0.59 4.77 3.57 -1.75 -2.56 116.94 120.38 2ixl h PHE 54 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ixl h PHE 54 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2ixl h PHE 54 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2ixl n PHE 55 N -4.36 0.78 -0.32 0.41 3.01 -0.60 -4.65 117.46 111.73 2ixl n PHE 55 Ca 0.09 -0.39 0.05 0.00 1.01 0.00 0.00 57.45 58.21 2ixl n PHE 55 Cb 0.59 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.26 2ixl n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ixl h ALA 56 N 4.19 1.31 -0.02 4.37 0.00 -1.62 -2.82 119.26 124.67 2ixl h ALA 56 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ixl h ALA 56 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ixl h ALA 56 CO 0.00 0.13 -0.09 0.39 0.00 0.00 0.00 179.25 179.68 2ixl n GLU 57 N -4.71 1.82 -2.56 0.00 1.02 -1.26 -4.97 120.64 109.97 2ixl n GLU 57 Ca 0.16 -1.58 -0.15 0.00 -0.02 0.00 0.00 57.16 55.56 2ixl n GLU 57 Cb 0.32 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 2ixl n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ixl n GLY 58 N 1.21 -0.21 3.73 0.62 0.00 -1.07 -5.02 105.19 104.46 2ixl n GLY 58 Ca 0.11 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2ixl n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ixl s LYS 59 N -5.08 2.94 -0.17 1.61 1.02 -1.26 -5.12 119.74 113.69 2ixl s LYS 59 Ca 0.12 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 2ixl s LYS 59 Cb -0.05 -2.78 0.06 0.00 -0.52 0.00 0.00 37.83 34.54 2ixl s LYS 59 CO 0.14 0.65 0.41 -1.17 -0.92 0.00 0.00 175.35 174.46 2ixl s LEU 60 N -1.53 -0.07 -0.03 3.17 2.96 -1.26 -4.55 118.68 117.36 2ixl s LEU 60 Ca 0.20 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2ixl s LEU 60 Cb -0.12 1.34 0.01 0.00 0.50 0.00 0.00 46.19 47.93 2ixl s LEU 60 CO 0.11 -0.19 0.09 -1.58 -1.32 0.00 0.00 176.35 173.45 2ixl s GLN 61 N 1.36 0.10 -0.20 1.98 0.74 -0.79 -5.01 119.66 117.84 2ixl s GLN 61 Ca -0.09 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.45 2ixl s GLN 61 Cb -0.08 0.05 0.03 0.00 1.10 0.00 0.00 33.01 34.10 2ixl s GLN 61 CO -0.12 -0.01 -0.16 1.21 -0.55 0.00 0.00 175.29 175.65 2ixl s ASN 62 N 0.06 3.54 0.08 6.67 2.47 -1.26 -0.95 114.94 125.56 2ixl s ASN 62 Ca -0.00 -0.81 0.04 0.00 0.42 0.00 0.00 52.86 52.50 2ixl s ASN 62 Cb -0.01 -1.52 -0.04 0.00 -1.45 0.00 0.00 41.25 38.23 2ixl s ASN 62 CO 0.00 -0.05 0.06 0.20 -3.72 0.00 0.00 177.10 173.59 2ixl s ASN 63 N 1.26 5.38 -0.03 -4.21 0.02 -0.44 -4.97 114.94 111.96 2ixl s ASN 63 Ca 0.02 -0.06 0.01 0.00 -1.02 0.00 0.00 52.86 51.81 2ixl s ASN 63 Cb -0.15 -1.40 0.02 0.00 0.02 0.00 0.00 41.25 39.74 2ixl s ASN 63 CO -0.10 0.17 -0.03 -0.69 0.02 0.00 0.00 177.10 176.47 2ixl s VAL 64 N -1.37 0.37 0.06 1.60 1.01 -1.26 -1.11 120.40 119.70 2ixl s VAL 64 Ca 0.28 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.30 2ixl s VAL 64 Cb -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2ixl s VAL 64 CO 0.21 0.18 -0.26 -0.94 0.00 0.00 0.00 175.10 174.29 2ixl s SER 65 N 0.81 3.24 -0.10 3.32 1.04 -0.38 -4.98 113.70 116.65 2ixl s SER 65 Ca -0.09 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2ixl s SER 65 Cb -0.13 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 2ixl s SER 65 CO -0.01 0.24 -0.21 0.12 0.98 0.00 0.00 173.24 174.36 2ixl s PHE 66 N -0.86 2.61 0.02 5.02 5.36 -1.26 -0.81 117.98 128.05 2ixl s PHE 66 Ca 0.12 -0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 55.15 2ixl s PHE 66 Cb -0.10 -1.73 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2ixl s PHE 66 CO 0.03 -0.35 0.03 -1.12 -1.46 0.00 0.00 175.22 172.35 2ixl s SER 67 N 0.28 0.18 0.50 6.13 0.01 -0.59 -4.99 113.70 115.22 2ixl s SER 67 Ca -0.15 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 2ixl s SER 67 Cb -0.17 0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2ixl s SER 67 CO 0.08 -0.34 0.74 -0.13 0.41 0.00 0.00 173.24 174.00 2ixl s ARG 68 N -1.53 2.92 0.18 12.44 0.52 -1.26 -1.04 118.95 131.17 2ixl s ARG 68 Ca -0.15 -0.46 -0.32 0.00 -0.52 0.00 0.00 55.73 54.29 2ixl s ARG 68 Cb -0.09 -2.49 -0.16 0.00 0.52 0.00 0.00 34.95 32.74 2ixl s ARG 68 CO -0.00 -0.45 1.03 1.17 0.02 0.00 0.00 175.30 177.07 2ixl n LYS 69 N -2.24 0.93 0.00 3.54 4.81 0.16 -2.19 118.16 123.16 2ixl n LYS 69 Ca 0.03 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 2ixl n LYS 69 Cb 0.58 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2ixl n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ixl n ASN 70 N 1.83 0.00 -4.66 3.14 3.02 -0.66 -4.92 115.26 113.02 2ixl n ASN 70 Ca 0.15 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.24 2ixl n ASN 70 Cb 0.24 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2ixl n ASN 70 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ixl n VAL 71 N -1.98 0.74 -4.15 2.41 0.31 -0.93 -1.89 118.33 112.83 2ixl n VAL 71 Ca 0.00 -0.18 -0.28 0.00 -0.01 0.00 0.00 64.34 63.87 2ixl n VAL 71 Cb 0.00 -1.41 -0.17 0.00 -0.91 0.00 0.00 33.84 31.35 2ixl n VAL 71 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ixl s LEU 72 N 0.30 1.49 -0.13 7.52 0.20 -0.65 -1.06 118.68 126.35 2ixl s LEU 72 Ca 0.71 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 55.17 2ixl s LEU 72 Cb -0.68 -0.97 -0.00 0.00 -0.43 0.00 0.00 46.19 44.10 2ixl s LEU 72 CO 0.48 -0.05 -0.18 -0.13 -0.29 0.00 0.00 176.35 176.17 2ixl s ARG 73 N 1.34 3.20 0.00 1.98 0.52 -0.41 -4.47 118.95 121.11 2ixl s ARG 73 Ca -0.00 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2ixl s ARG 73 Cb -0.14 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.83 2ixl s ARG 73 CO -0.06 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.80 2ixl n GLY 74 N 3.71 0.01 3.62 -3.53 0.00 -1.26 -0.92 105.19 106.82 2ixl n GLY 74 Ca -0.19 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 2ixl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ixl s LEU 75 N 0.00 3.85 -0.11 0.99 1.43 -0.95 -4.35 118.68 119.53 2ixl s LEU 75 Ca 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2ixl s LEU 75 Cb 0.00 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2ixl s LEU 75 CO 0.00 0.13 -0.16 -1.00 0.23 0.00 0.00 176.35 175.55 2ixl s HIS 76 N 0.65 2.04 -0.56 0.29 3.76 -0.51 -1.46 115.29 119.51 2ixl s HIS 76 Ca 0.04 -0.94 0.06 0.00 -0.15 0.00 0.00 55.06 54.07 2ixl s HIS 76 Cb -0.13 -1.45 0.34 0.00 1.11 0.00 0.00 32.58 32.44 2ixl s HIS 76 CO 0.01 -0.47 0.91 0.00 -0.85 0.00 0.00 174.74 174.35 2ixl n ALA 77 N 4.10 4.34 -1.45 -1.40 0.00 0.30 -1.17 120.51 125.24 2ixl n ALA 77 Ca -0.19 -4.56 -0.35 0.00 0.00 0.00 0.00 53.44 48.34 2ixl n ALA 77 Cb 0.51 -0.76 0.09 0.00 0.00 0.00 0.00 19.45 19.29 2ixl n ALA 77 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ixl s GLU 78 N -3.30 2.22 -1.31 0.00 8.01 -1.26 -3.63 118.70 119.42 2ixl s GLU 78 Ca 0.47 1.85 -0.09 0.00 0.01 0.00 0.00 54.97 57.22 2ixl s GLU 78 Cb 0.28 -1.83 -0.07 0.00 -4.31 0.00 0.00 34.13 28.20 2ixl s GLU 78 CO -0.13 -1.80 2.56 -0.35 0.01 0.00 0.00 175.26 175.56 2ixl n PRO 79 N -2.51 2.96 -3.46 0.39 -0.04 -1.26 -4.46 135.00 126.63 2ixl n PRO 79 Ca 0.14 -1.91 -0.12 0.00 -0.04 0.00 0.00 63.50 61.57 2ixl n PRO 79 Cb 0.50 -2.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 2ixl n PRO 79 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2ixl s TRP 80 N 2.79 -0.49 0.50 0.54 -2.14 -1.26 -4.87 118.94 114.01 2ixl s TRP 80 Ca 0.56 0.26 -0.18 0.00 2.66 0.00 0.00 56.10 59.41 2ixl s TRP 80 Cb 0.15 0.53 -0.08 0.00 -3.10 0.00 0.00 33.47 30.97 2ixl s TRP 80 CO -0.05 -0.85 0.98 -0.51 -2.66 0.00 0.00 176.95 173.87 2ixl s ASP 81 N -2.76 6.64 -0.02 -2.66 1.01 -1.26 -3.93 116.67 113.69 2ixl s ASP 81 Ca 0.02 1.62 0.02 0.00 0.71 0.00 0.00 52.55 54.92 2ixl s ASP 81 Cb -0.01 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2ixl s ASP 81 CO -0.12 -0.57 -0.07 -0.54 0.21 0.00 0.00 175.17 174.08 2ixl s LYS 82 N -3.84 0.77 -0.26 8.23 1.02 -0.83 -3.40 119.74 121.43 2ixl s LYS 82 Ca 0.60 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 56.36 2ixl s LYS 82 Cb -0.10 -0.74 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2ixl s LYS 82 CO 0.27 0.08 -0.06 -0.47 -0.92 0.00 0.00 175.35 174.25 2ixl s TYR 83 N 0.24 3.15 -0.02 3.18 5.04 0.06 -0.67 117.35 128.32 2ixl s TYR 83 Ca -0.03 -1.80 0.05 0.00 -2.44 0.00 0.00 57.07 52.84 2ixl s TYR 83 Cb -0.08 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 2ixl s TYR 83 CO 0.00 -0.78 -0.15 0.42 -1.34 0.00 0.00 175.55 173.69 2ixl s ILE 84 N 1.26 2.97 0.23 3.14 1.01 -0.11 -1.32 121.20 128.38 2ixl s ILE 84 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 2ixl s ILE 84 Cb -0.18 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.13 2ixl s ILE 84 CO -0.04 0.51 0.43 -0.24 0.00 0.00 0.00 174.94 175.60 2ixl n SER 85 N 2.06 -1.23 -4.58 3.58 2.88 -0.77 -1.45 113.62 114.10 2ixl n SER 85 Ca -0.17 -1.99 -0.34 0.00 -1.33 0.00 0.00 58.87 55.04 2ixl n SER 85 Cb 0.52 2.09 -0.11 0.00 -0.75 0.00 0.00 64.21 65.96 2ixl n SER 85 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ixl s VAL 86 N -2.52 3.95 -0.78 2.46 1.01 -1.26 -1.35 120.40 121.91 2ixl s VAL 86 Ca 0.11 -0.37 0.18 0.00 0.00 0.00 0.00 61.98 61.91 2ixl s VAL 86 Cb -0.02 -2.67 -0.21 0.00 0.00 0.00 0.00 36.38 33.48 2ixl s VAL 86 CO 0.08 0.56 0.74 0.00 0.00 0.00 0.00 175.10 176.49 2ixl n ALA 87 N 2.65 4.22 -3.00 5.51 0.00 -0.20 -4.25 120.51 125.44 2ixl n ALA 87 Ca -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2ixl n ALA 87 Cb 0.53 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2ixl n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ixl n ASP 88 N -1.50 1.12 -0.54 0.00 5.75 -1.26 -5.00 116.55 115.13 2ixl n ASP 88 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.85 2ixl n ASP 88 Cb 0.30 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.51 2ixl n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ixl n GLY 89 N 4.47 0.43 1.72 6.12 0.00 -1.26 -4.47 105.19 112.20 2ixl n GLY 89 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2ixl n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ixl n GLY 90 N 0.83 -0.38 3.37 -0.02 0.00 -1.26 -4.98 105.19 102.74 2ixl n GLY 90 Ca 0.09 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2ixl n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ixl s LYS 91 N -3.97 0.54 0.14 1.61 2.20 -1.26 -4.40 119.74 114.59 2ixl s LYS 91 Ca 0.32 0.69 0.06 0.00 -0.36 0.00 0.00 55.97 56.67 2ixl s LYS 91 Cb -0.01 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2ixl s LYS 91 CO 0.22 -0.08 -0.13 0.14 -0.36 0.00 0.00 175.35 175.14 2ixl s VAL 92 N 0.42 1.30 -0.46 4.02 -7.23 -0.57 -1.32 120.40 116.56 2ixl s VAL 92 Ca -0.01 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 2ixl s VAL 92 Cb -0.04 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.25 2ixl s VAL 92 CO -0.01 -0.55 0.66 -0.22 -0.31 0.00 0.00 175.10 174.67 2ixl s LEU 93 N -2.78 4.56 0.27 1.32 2.96 0.29 -0.75 118.68 124.54 2ixl s LEU 93 Ca 0.13 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 2ixl s LEU 93 Cb -0.02 -2.68 -0.09 0.00 0.50 0.00 0.00 46.19 43.90 2ixl s LEU 93 CO 0.03 -0.83 0.77 -0.83 -1.32 0.00 0.00 176.35 174.16 2ixl s GLY 94 N 2.19 2.58 -0.10 7.98 0.00 0.12 -1.39 107.32 118.70 2ixl s GLY 94 Ca 0.22 0.21 -0.06 0.00 0.00 0.00 0.00 44.72 45.08 2ixl s GLY 94 CO 0.18 0.55 0.24 -1.59 0.00 0.00 0.00 173.10 172.47 2ixl s THR 95 N -1.65 -0.03 0.00 0.90 2.01 -0.63 -1.93 115.64 114.32 2ixl s THR 95 Ca 0.47 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.59 2ixl s THR 95 Cb -0.15 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2ixl s THR 95 CO 0.20 0.04 -0.07 0.26 -0.69 0.00 0.00 174.62 174.36 2ixl s TRP 96 N 0.85 0.62 -0.09 4.92 0.51 -0.36 -1.65 118.94 123.74 2ixl s TRP 96 Ca -0.06 -0.16 -0.01 0.00 -2.12 0.00 0.00 56.10 53.75 2ixl s TRP 96 Cb -0.07 -0.39 0.03 0.00 -0.81 0.00 0.00 33.47 32.22 2ixl s TRP 96 CO -0.05 -0.02 -0.04 0.08 -0.51 0.00 0.00 176.95 176.41 2ixl s VAL 97 N -0.32 0.70 -0.11 4.03 1.01 -0.96 -2.21 120.40 122.53 2ixl s VAL 97 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2ixl s VAL 97 Cb -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2ixl s VAL 97 CO -0.00 0.31 1.37 -0.62 0.00 0.00 0.00 175.10 176.16 2ixl s ASP 98 N 1.80 6.88 0.00 3.32 -1.08 0.01 -0.50 116.67 127.08 2ixl s ASP 98 Ca 0.04 1.87 0.15 0.00 -0.52 0.00 0.00 52.55 54.10 2ixl s ASP 98 Cb -0.12 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 2ixl s ASP 98 CO -0.06 -0.78 1.35 0.18 0.52 0.00 0.00 175.17 176.38 2ixl n LEU 99 N 6.51 3.29 -4.74 -1.34 4.77 -0.33 -0.55 117.00 124.61 2ixl n LEU 99 Ca 0.14 -1.97 -0.40 0.00 -0.03 0.00 0.00 56.01 53.75 2ixl n LEU 99 Cb 0.44 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2ixl n LEU 99 CO 0.58 0.82 0.67 -0.13 -1.33 0.00 0.00 177.39 177.99 2ixl s ARG 100 N -1.01 4.78 0.24 3.23 0.52 -1.21 -1.07 118.95 124.43 2ixl s ARG 100 Ca 0.33 1.50 -0.31 0.00 -0.52 0.00 0.00 55.73 56.72 2ixl s ARG 100 Cb 0.17 -3.31 -0.12 0.00 0.52 0.00 0.00 34.95 32.21 2ixl s ARG 100 CO 0.22 0.37 1.60 -1.91 0.02 0.00 0.00 175.30 175.60 2ixl n GLU 101 N 1.99 2.51 0.00 3.54 2.13 0.15 -3.59 120.64 127.37 2ixl n GLU 101 Ca -0.00 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2ixl n GLU 101 Cb 0.48 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.51 2ixl n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ixl n GLY 102 N 2.88 0.80 0.14 8.31 0.00 -1.26 -4.86 105.19 111.20 2ixl n GLY 102 Ca 0.13 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.22 2ixl n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ixl n GLU 103 N 0.00 0.19 -0.13 1.61 -0.58 -1.26 -2.67 120.64 117.80 2ixl n GLU 103 Ca 0.00 0.48 0.06 0.00 -0.42 0.00 0.00 57.16 57.28 2ixl n GLU 103 Cb 0.00 -1.91 0.13 0.00 -0.57 0.00 0.00 31.44 29.09 2ixl n GLU 103 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2ixl n THR 104 N -2.28 0.66 -1.68 2.62 -2.24 -1.26 -4.98 114.28 105.12 2ixl n THR 104 Ca 0.01 -0.83 -0.47 0.00 -2.27 0.00 0.00 64.05 60.50 2ixl n THR 104 Cb 0.19 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 2ixl n THR 104 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2ixl n PHE 105 N 0.65 2.34 -0.14 4.78 7.35 -1.09 -1.41 117.46 129.93 2ixl n PHE 105 Ca 0.11 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2ixl n PHE 105 Cb 0.40 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.60 2ixl n PHE 105 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ixl n GLY 106 N 3.99 1.25 3.76 7.13 0.00 0.29 -5.02 105.19 116.59 2ixl n GLY 106 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2ixl n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ixl s ASN 107 N -2.98 5.36 0.16 1.61 -0.87 -0.50 -4.69 114.94 113.03 2ixl s ASN 107 Ca 0.00 2.46 0.05 0.00 -1.57 0.00 0.00 52.86 53.79 2ixl s ASN 107 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 2ixl s ASN 107 CO 0.00 -1.48 -0.10 0.42 -2.57 0.00 0.00 177.10 173.37 2ixl s THR 108 N -1.52 1.19 -0.02 1.60 -4.23 -1.26 -0.81 115.64 110.58 2ixl s THR 108 Ca 0.74 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.02 2ixl s THR 108 Cb -0.32 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.64 2ixl s THR 108 CO 0.36 -0.70 0.34 -0.47 -0.54 0.00 0.00 174.62 173.61 2ixl s TYR 109 N -3.32 -0.23 -0.02 3.99 5.04 -0.94 -4.86 117.35 117.02 2ixl s TYR 109 Ca 0.18 0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 55.14 2ixl s TYR 109 Cb 0.03 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.46 2ixl s TYR 109 CO 0.02 -0.40 0.08 -0.65 -1.34 0.00 0.00 175.55 173.26 2ixl s GLN 110 N -1.26 0.19 0.09 4.97 -0.21 -1.26 -1.23 119.66 120.96 2ixl s GLN 110 Ca -0.13 -0.05 -0.25 0.00 0.02 0.00 0.00 55.36 54.95 2ixl s GLN 110 Cb -0.05 0.08 0.07 0.00 1.00 0.00 0.00 33.01 34.12 2ixl s GLN 110 CO 0.05 -0.03 0.63 -0.08 -2.12 0.00 0.00 175.29 173.74 2ixl s THR 111 N -0.37 0.00 0.03 -0.19 -1.32 -0.81 -5.01 115.64 107.97 2ixl s THR 111 Ca -0.04 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 2ixl s THR 111 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2ixl s THR 111 CO 0.00 0.00 0.93 -0.69 -2.21 0.00 0.00 174.62 172.65 2ixl s VAL 112 N -3.00 4.77 -0.14 5.08 1.01 -1.26 -0.70 120.40 126.16 2ixl s VAL 112 Ca -0.02 1.97 0.01 0.00 0.00 0.00 0.00 61.98 63.94 2ixl s VAL 112 Cb -0.01 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2ixl s VAL 112 CO -0.06 0.23 -0.17 -0.63 0.00 0.00 0.00 175.10 174.46 2ixl s ILE 113 N 0.62 2.50 0.00 2.22 1.01 0.07 -4.93 121.20 122.68 2ixl s ILE 113 Ca 0.48 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2ixl s ILE 113 Cb -0.21 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2ixl s ILE 113 CO 0.27 0.53 0.00 -0.90 0.00 0.00 0.00 174.94 174.84 2ixl n ASP 114 N 3.97 1.41 0.24 3.58 5.68 -1.26 -1.51 116.55 128.65 2ixl n ASP 114 Ca -0.19 -0.94 0.16 0.00 -0.50 0.00 0.00 54.79 53.32 2ixl n ASP 114 Cb 0.52 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.31 2ixl n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ixl h ALA 115 N 1.00 1.00 -0.37 2.12 0.00 -1.77 -2.44 119.26 118.80 2ixl h ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ixl h ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ixl h ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 2ixl n SER 116 N -2.69 2.09 -3.93 0.00 3.41 -1.26 -4.81 113.62 106.43 2ixl n SER 116 Ca -0.01 -1.96 -0.12 0.00 -0.26 0.00 0.00 58.87 56.52 2ixl n SER 116 Cb 0.13 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.71 2ixl n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ixl s LYS 117 N -1.51 0.20 0.17 4.33 2.20 -0.92 -1.44 119.74 122.78 2ixl s LYS 117 Ca 0.28 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2ixl s LYS 117 Cb 0.14 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.36 2ixl s LYS 117 CO 0.19 0.01 0.01 -1.54 -0.36 0.00 0.00 175.35 173.67 2ixl s SER 118 N -0.58 1.08 -0.03 1.43 1.04 -0.80 -4.45 113.70 111.39 2ixl s SER 118 Ca -0.05 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.20 2ixl s SER 118 Cb -0.04 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.25 2ixl s SER 118 CO -0.00 -0.60 -0.02 -0.63 0.98 0.00 0.00 173.24 172.96 2ixl s ILE 119 N -3.72 0.33 -0.21 -1.02 -1.09 -0.53 -1.10 121.20 113.85 2ixl s ILE 119 Ca 0.25 -0.03 -0.17 0.00 -2.23 0.00 0.00 60.65 58.47 2ixl s ILE 119 Cb 0.06 -0.37 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 2ixl s ILE 119 CO 0.04 0.16 0.44 0.12 -1.23 0.00 0.00 174.94 174.48 2ixl s PHE 120 N 0.80 3.35 -0.30 3.97 5.36 -0.14 -0.93 117.98 130.09 2ixl s PHE 120 Ca -0.09 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.50 2ixl s PHE 120 Cb -0.12 -2.59 0.05 0.00 -0.34 0.00 0.00 43.02 40.01 2ixl s PHE 120 CO -0.01 -0.09 -0.00 0.08 -1.46 0.00 0.00 175.22 173.74 2ixl s VAL 121 N 1.59 3.03 0.55 3.12 1.01 0.15 -2.70 120.40 127.16 2ixl s VAL 121 Ca 0.20 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 2ixl s VAL 121 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2ixl s VAL 121 CO 0.09 -0.07 1.18 -2.16 0.00 0.00 0.00 175.10 174.14 2ixl s PRO 122 N 1.27 3.24 0.03 2.72 0.05 -1.26 -1.96 135.00 139.09 2ixl s PRO 122 Ca -0.04 1.77 -0.36 0.00 0.05 0.00 0.00 61.00 62.41 2ixl s PRO 122 Cb -0.19 -2.05 -0.15 0.00 0.05 0.00 0.00 34.50 32.15 2ixl s PRO 122 CO -0.01 -0.98 1.51 -2.13 0.05 0.00 0.00 177.00 175.44 2ixl n ARG 123 N -1.28 1.46 0.00 4.56 0.63 -1.25 -2.03 116.66 118.74 2ixl n ARG 123 Ca 0.12 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2ixl n ARG 123 Cb 0.50 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.18 2ixl n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ixl n GLY 124 N 3.16 0.48 3.42 5.14 0.00 -1.26 -5.00 105.19 111.11 2ixl n GLY 124 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2ixl n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ixl s VAL 125 N -2.00 4.05 0.19 1.61 1.01 -0.86 -1.18 120.40 123.21 2ixl s VAL 125 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2ixl s VAL 125 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 2ixl s VAL 125 CO 0.00 0.37 1.28 0.00 0.00 0.00 0.00 175.10 176.76 2ixl s ALA 126 N 1.49 3.50 -0.02 5.51 0.00 0.34 -4.68 121.76 127.90 2ixl s ALA 126 Ca 0.06 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.09 2ixl s ALA 126 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2ixl s ALA 126 CO 0.02 -0.50 -0.02 1.21 0.00 0.00 0.00 175.76 176.47 2ixl s ASN 127 N 0.33 5.00 0.21 0.00 2.47 -0.32 -2.27 114.94 120.36 2ixl s ASN 127 Ca 0.56 -0.00 -0.23 0.00 0.42 0.00 0.00 52.86 53.61 2ixl s ASN 127 Cb -0.35 -1.30 0.05 0.00 -1.45 0.00 0.00 41.25 38.19 2ixl s ASN 127 CO 0.37 0.31 0.77 -0.83 -3.72 0.00 0.00 177.10 174.00 2ixl s GLY 128 N -1.33 -0.24 0.08 1.21 0.00 -0.66 -1.42 107.32 104.96 2ixl s GLY 128 Ca 0.17 0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.68 2ixl s GLY 128 CO 0.07 0.01 0.58 -0.11 0.00 0.00 0.00 173.10 173.65 2ixl s PHE 129 N -3.68 -0.51 -0.05 1.90 -0.12 -0.10 -1.60 117.98 113.82 2ixl s PHE 129 Ca 0.09 0.51 0.05 0.00 -0.05 0.00 0.00 56.93 57.52 2ixl s PHE 129 Cb -0.04 0.45 -0.00 0.00 -0.63 0.00 0.00 43.02 42.80 2ixl s PHE 129 CO 0.01 -0.73 -0.19 -1.14 -0.05 0.00 0.00 175.22 173.12 2ixl s GLN 130 N -2.86 2.04 -0.10 1.99 0.74 -0.49 -1.29 119.66 119.69 2ixl s GLN 130 Ca -0.03 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.40 2ixl s GLN 130 Cb -0.00 -1.73 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 2ixl s GLN 130 CO -0.05 0.26 1.09 0.08 -0.55 0.00 0.00 175.29 176.12 2ixl s VAL 131 N 0.05 4.56 -0.14 1.34 1.01 -0.22 -0.55 120.40 126.45 2ixl s VAL 131 Ca -0.05 1.85 0.12 0.00 0.00 0.00 0.00 61.98 63.90 2ixl s VAL 131 Cb -0.13 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 2ixl s VAL 131 CO 0.03 -0.02 0.27 0.18 0.00 0.00 0.00 175.10 175.56 2ixl n LEU 132 N 5.26 0.93 -4.96 3.92 4.77 -0.44 -1.65 117.00 124.84 2ixl n LEU 132 Ca 0.10 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 2ixl n LEU 132 Cb 0.47 0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.72 2ixl n LEU 132 CO 0.53 0.55 0.63 -0.94 -1.33 0.00 0.00 177.39 176.83 2ixl s SER 133 N -5.98 4.30 0.18 -1.43 1.04 -1.15 -4.91 113.70 105.75 2ixl s SER 133 Ca -0.12 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 2ixl s SER 133 Cb 0.07 -0.51 0.15 0.00 0.10 0.00 0.00 66.02 65.83 2ixl s SER 133 CO 0.79 -1.92 1.78 0.44 0.98 0.00 0.00 173.24 175.32 2ixl h ASP 134 N -0.76 0.33 -5.32 7.02 5.19 -1.94 -3.20 116.42 117.75 2ixl h ASP 134 Ca -0.41 0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 55.89 2ixl h ASP 134 Cb 1.28 -0.02 -0.14 0.00 0.18 0.00 0.00 39.33 40.62 2ixl h ASP 134 CO 0.47 0.23 -0.54 -0.36 -3.12 0.00 0.00 179.24 175.92 2ixl s PHE 135 N -6.13 0.61 -0.13 4.55 0.08 -1.26 -0.67 117.98 115.03 2ixl s PHE 135 Ca -0.13 -1.02 -0.17 0.00 0.12 0.00 0.00 56.93 55.74 2ixl s PHE 135 Cb 0.14 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 42.32 2ixl s PHE 135 CO 0.74 -0.55 0.44 0.54 -0.10 0.00 0.00 175.22 176.29 2ixl s VAL 136 N -3.98 0.01 -0.23 -0.44 0.11 -0.21 -4.35 120.40 111.30 2ixl s VAL 136 Ca 0.17 -0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.05 2ixl s VAL 136 Cb 0.06 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2ixl s VAL 136 CO -0.02 -0.05 0.08 0.00 -3.33 0.00 0.00 175.10 171.77 2ixl s ALA 137 N -0.18 3.24 -0.20 1.54 0.00 -1.26 -1.54 121.76 123.35 2ixl s ALA 137 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2ixl s ALA 137 Cb -0.03 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2ixl s ALA 137 CO 0.02 -0.31 -0.15 -0.47 0.00 0.00 0.00 175.76 174.85 2ixl s TYR 138 N 1.29 2.88 -0.05 0.00 5.04 0.01 -1.04 117.35 125.49 2ixl s TYR 138 Ca 0.05 -1.57 0.05 0.00 -2.44 0.00 0.00 57.07 53.15 2ixl s TYR 138 Cb -0.15 -1.97 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 2ixl s TYR 138 CO 0.04 -0.76 -0.20 0.45 -1.34 0.00 0.00 175.55 173.73 2ixl s SER 139 N 1.31 2.53 0.03 4.32 0.15 -0.45 -1.25 113.70 120.34 2ixl s SER 139 Ca 0.03 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.21 2ixl s SER 139 Cb -0.14 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.38 2ixl s SER 139 CO -0.10 0.18 0.08 -0.72 1.20 0.00 0.00 173.24 173.88 2ixl s TYR 140 N 0.04 0.20 -0.12 3.44 -0.85 -0.27 -1.85 117.35 117.94 2ixl s TYR 140 Ca -0.06 -0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 56.00 2ixl s TYR 140 Cb -0.13 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 2ixl s TYR 140 CO 0.03 -0.33 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.18 2ixl s LEU 141 N -1.95 3.27 0.14 -3.49 1.43 -0.43 -1.33 118.68 116.32 2ixl s LEU 141 Ca -0.07 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2ixl s LEU 141 Cb -0.03 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2ixl s LEU 141 CO -0.03 0.25 -0.05 0.68 0.23 0.00 0.00 176.35 177.43 2ixl s VAL 142 N -0.12 0.82 -0.15 -1.59 -7.23 -0.12 -0.76 120.40 111.25 2ixl s VAL 142 Ca 0.02 -1.99 0.15 0.00 -1.81 0.00 0.00 61.98 58.35 2ixl s VAL 142 Cb -0.13 -1.91 0.34 0.00 0.56 0.00 0.00 36.38 35.24 2ixl s VAL 142 CO 0.03 -0.68 1.17 -0.46 -0.31 0.00 0.00 175.10 174.85 2ixl n ASN 143 N -0.17 1.85 -3.85 4.85 6.94 -1.22 -1.88 115.26 121.79 2ixl n ASN 143 Ca -0.09 -3.32 -0.09 0.00 -0.02 0.00 0.00 54.58 51.06 2ixl n ASN 143 Cb 0.62 -0.45 -0.04 0.00 -2.36 0.00 0.00 39.78 37.54 2ixl n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ixl s ASP 144 N -2.87 -0.02 -0.23 0.53 -1.08 -1.26 -4.62 116.67 107.11 2ixl s ASP 144 Ca 0.33 -0.95 -0.05 0.00 -0.52 0.00 0.00 52.55 51.36 2ixl s ASP 144 Cb 0.31 0.63 -0.02 0.00 -1.46 0.00 0.00 42.92 42.38 2ixl s ASP 144 CO -0.03 -1.22 0.01 -0.31 0.52 0.00 0.00 175.17 174.14 2ixl s TYR 145 N -3.81 3.02 0.43 -5.34 1.51 -1.26 -4.84 117.35 107.06 2ixl s TYR 145 Ca 0.21 -0.66 -0.25 0.00 -1.01 0.00 0.00 57.07 55.36 2ixl s TYR 145 Cb -0.02 -2.16 -0.08 0.00 -0.11 0.00 0.00 41.96 39.59 2ixl s TYR 145 CO 0.10 -0.43 1.29 -0.46 -1.11 0.00 0.00 175.55 174.94 2ixl s TRP 146 N 1.48 2.76 -0.04 2.71 -0.00 -1.26 -5.06 118.94 119.53 2ixl s TRP 146 Ca 0.06 1.42 -0.02 0.00 -0.00 0.00 0.00 56.10 57.56 2ixl s TRP 146 Cb -0.15 -3.65 0.02 0.00 -0.00 0.00 0.00 33.47 29.70 2ixl s TRP 146 CO 0.00 -2.12 0.08 0.00 -0.00 0.00 0.00 176.95 174.92 2ixl s ALA 147 N -1.31 -0.13 0.23 5.86 0.00 -1.26 -5.06 121.76 120.09 2ixl s ALA 147 Ca 0.60 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2ixl s ALA 147 Cb -0.37 -0.25 0.38 0.00 0.00 0.00 0.00 23.12 22.87 2ixl s ALA 147 CO 0.47 -0.09 1.68 1.25 0.00 0.00 0.00 175.76 179.07 2ixl h LEU 148 N 6.74 -0.11 -1.25 0.00 5.85 -2.02 -1.97 115.31 122.54 2ixl h LEU 148 Ca -0.36 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2ixl h LEU 148 Cb 1.16 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.42 2ixl h LEU 148 CO 0.46 -0.06 0.00 -0.33 -0.34 0.00 0.00 178.44 178.16 2ixl h GLU 149 N 0.20 0.00 -0.01 1.25 3.07 -2.04 -2.29 114.58 114.77 2ixl h GLU 149 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2ixl h GLU 149 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2ixl h GLU 149 CO -0.51 0.00 -0.47 1.28 -1.40 0.00 0.00 179.01 177.92 2ixl n LEU 150 N -2.54 1.09 -0.35 1.33 4.77 -0.74 -4.46 117.00 116.10 2ixl n LEU 150 Ca 0.01 -0.33 0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2ixl n LEU 150 Cb 0.20 -0.11 0.32 0.00 -2.33 0.00 0.00 43.42 41.49 2ixl n LEU 150 CO 0.20 0.22 1.20 0.50 -1.33 0.00 0.00 177.39 178.18 2ixl h LYS 151 N 0.98 0.75 -0.12 3.23 3.64 -1.41 0.17 116.57 123.81 2ixl h LYS 151 Ca 0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2ixl h LYS 151 Cb 0.55 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2ixl h LYS 151 CO 0.00 0.50 0.17 -1.35 -2.27 0.00 0.00 179.45 176.50 2ixl h PRO 152 N 0.78 0.00 0.00 1.90 0.11 -1.82 -1.08 132.00 131.88 2ixl h PRO 152 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2ixl h PRO 152 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2ixl h PRO 152 CO -0.37 0.00 -0.05 -0.22 -0.21 0.00 0.00 178.00 177.15 2ixl h LYS 153 N 0.00 0.00 -6.86 1.05 3.64 -0.98 -3.47 116.57 109.95 2ixl h LYS 153 Ca 0.06 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.95 2ixl h LYS 153 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2ixl h LYS 153 CO -0.00 0.00 0.14 0.71 -2.27 0.00 0.00 179.45 178.03 2ixl s TYR 154 N -3.12 3.44 -0.10 1.91 2.02 -0.41 -5.01 117.35 116.09 2ixl s TYR 154 Ca 0.10 1.14 -0.18 0.00 -0.37 0.00 0.00 57.07 57.76 2ixl s TYR 154 Cb 0.11 -2.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.12 2ixl s TYR 154 CO 0.62 -0.09 0.46 0.00 -1.57 0.00 0.00 175.55 174.97 2ixl s ALA 155 N -2.31 3.52 0.05 3.71 0.00 -1.24 -5.01 121.76 120.47 2ixl s ALA 155 Ca 0.53 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2ixl s ALA 155 Cb -0.10 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2ixl s ALA 155 CO 0.28 0.09 -0.05 -0.06 0.00 0.00 0.00 175.76 176.01 2ixl s PHE 156 N 0.31 0.59 0.00 0.00 0.40 -1.26 -0.54 117.98 117.49 2ixl s PHE 156 Ca 0.25 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 2ixl s PHE 156 Cb -0.15 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 2ixl s PHE 156 CO 0.11 -0.18 -0.04 0.14 0.70 0.00 0.00 175.22 175.94 2ixl s VAL 157 N -2.41 0.30 0.09 -0.44 -7.23 -0.54 -4.50 120.40 105.68 2ixl s VAL 157 Ca -0.03 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 2ixl s VAL 157 Cb -0.03 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.54 2ixl s VAL 157 CO -0.03 -0.01 1.54 0.21 -0.31 0.00 0.00 175.10 176.51 2ixl s ASN 158 N -0.34 6.68 0.54 4.85 3.84 0.05 -2.25 114.94 128.31 2ixl s ASN 158 Ca -0.01 2.43 0.25 0.00 0.21 0.00 0.00 52.86 55.74 2ixl s ASN 158 Cb -0.03 -2.57 1.43 0.00 -0.55 0.00 0.00 41.25 39.53 2ixl s ASN 158 CO -0.00 -0.80 2.02 0.10 -2.79 0.00 0.00 177.10 175.63 2ixl h TYR 159 N 7.60 0.00 -0.62 0.43 -0.00 -1.80 -2.74 116.97 119.84 2ixl h TYR 159 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 2ixl h TYR 159 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2ixl h TYR 159 CO 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.88 2ixl n ALA 160 N -2.56 2.50 -1.78 0.10 0.00 -1.26 -4.93 120.51 112.57 2ixl n ALA 160 Ca 0.07 -1.36 -0.43 0.00 0.00 0.00 0.00 53.44 51.72 2ixl n ALA 160 Cb 0.51 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 2ixl n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ixl s ASP 161 N -1.01 5.85 0.25 0.00 -1.08 -1.04 -4.86 116.67 114.78 2ixl s ASP 161 Ca 0.44 1.85 0.23 0.00 -0.52 0.00 0.00 52.55 54.54 2ixl s ASP 161 Cb 0.25 -2.52 0.97 0.00 -1.46 0.00 0.00 42.92 40.16 2ixl s ASP 161 CO 0.27 -1.65 1.69 -0.81 0.52 0.00 0.00 175.17 175.19 2ixl n PRO 162 N 8.32 0.18 0.13 4.34 -0.04 -1.26 -2.24 135.00 144.42 2ixl n PRO 162 Ca 0.25 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 2ixl n PRO 162 Cb 0.45 -1.86 0.43 0.00 -0.04 0.00 0.00 33.50 32.48 2ixl n PRO 162 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ixl h SER 163 N 0.00 0.00 -3.75 3.54 4.64 -1.99 -3.45 113.55 112.54 2ixl h SER 163 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2ixl h SER 163 Cb 0.33 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.46 2ixl h SER 163 CO 0.00 0.00 0.58 -0.76 -0.87 0.00 0.00 176.83 175.78 2ixl s LEU 164 N -4.66 4.47 -1.49 5.97 1.43 -0.95 -4.93 118.68 118.52 2ixl s LEU 164 Ca 0.08 2.47 -0.09 0.00 -1.03 0.00 0.00 54.13 55.56 2ixl s LEU 164 Cb 0.11 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.70 2ixl s LEU 164 CO 0.53 -0.39 2.64 -0.67 0.23 0.00 0.00 176.35 178.69 2ixl n ASP 165 N 1.34 7.85 -4.11 2.29 2.03 -1.26 -4.86 116.55 119.83 2ixl n ASP 165 Ca 0.01 -2.82 -0.08 0.00 0.52 0.00 0.00 54.79 52.42 2ixl n ASP 165 Cb 0.43 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.23 2ixl n ASP 165 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2ixl s ILE 166 N 1.06 0.31 -0.05 5.18 -4.36 -1.26 -4.82 121.20 117.26 2ixl s ILE 166 Ca 0.61 -1.84 -0.02 0.00 -0.26 0.00 0.00 60.65 59.14 2ixl s ILE 166 Cb 0.17 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 42.33 2ixl s ILE 166 CO -0.07 -0.95 0.04 -0.75 0.24 0.00 0.00 174.94 173.45 2ixl s LYS 167 N -3.91 0.18 0.67 0.37 2.47 -1.26 -5.11 119.74 113.15 2ixl s LYS 167 Ca 0.09 0.27 -0.11 0.00 -1.56 0.00 0.00 55.97 54.66 2ixl s LYS 167 Cb 0.07 -0.70 -0.01 0.00 -1.46 0.00 0.00 37.83 35.74 2ixl s LYS 167 CO -0.08 -0.32 1.06 -1.58 0.16 0.00 0.00 175.35 174.59 2ixl s TRP 168 N 2.10 3.40 0.08 4.03 0.52 -1.26 -5.00 118.94 122.81 2ixl s TRP 168 Ca 0.05 1.21 -0.20 0.00 0.02 0.00 0.00 56.10 57.18 2ixl s TRP 168 Cb -0.12 -2.89 -0.10 0.00 -1.15 0.00 0.00 33.47 29.21 2ixl s TRP 168 CO -0.04 -1.01 1.54 1.49 0.02 0.00 0.00 176.95 178.96 2ixl h GLU 169 N -0.54 0.34 -1.68 4.98 4.57 -1.96 -3.40 114.58 116.88 2ixl h GLU 169 Ca -0.45 -0.09 -0.37 0.00 -1.18 0.00 0.00 59.36 57.28 2ixl h GLU 169 Cb 1.22 -0.04 -0.27 0.00 -0.16 0.00 0.00 28.75 29.50 2ixl h GLU 169 CO 0.62 0.50 -0.73 1.21 -1.18 0.00 0.00 179.01 179.43 2ixl s ASN 170 N -5.78 0.01 0.22 1.04 3.04 -1.26 -5.01 114.94 107.20 2ixl s ASN 170 Ca -0.14 -2.34 -0.08 0.00 0.04 0.00 0.00 52.86 50.35 2ixl s ASN 170 Cb 0.07 0.75 0.17 0.00 -1.54 0.00 0.00 41.25 40.70 2ixl s ASN 170 CO 0.72 -0.12 1.82 0.25 -3.04 0.00 0.00 177.10 176.73 2ixl h LEU 171 N 5.43 1.08 -1.35 3.21 5.85 -1.99 -2.85 115.31 124.69 2ixl h LEU 171 Ca 0.16 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2ixl h LEU 171 Cb 1.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2ixl h LEU 171 CO 0.19 0.90 0.25 -0.08 -0.34 0.00 0.00 178.44 179.36 2ixl h GLU 172 N 1.17 0.69 -0.54 1.25 4.81 -1.97 -2.89 114.58 117.11 2ixl h GLU 172 Ca 0.29 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2ixl h GLU 172 Cb 0.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2ixl h GLU 172 CO -0.04 0.53 0.00 0.39 -0.73 0.00 0.00 179.01 179.16 2ixl n GLU 173 N -4.39 3.22 -1.75 1.92 1.02 -1.14 -5.01 120.64 114.50 2ixl n GLU 173 Ca 0.04 -2.62 -0.42 0.00 -0.02 0.00 0.00 57.16 54.15 2ixl n GLU 173 Cb 0.11 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 2ixl n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ixl s ALA 174 N -1.58 3.82 -0.34 0.62 0.00 -1.09 -4.83 121.76 118.37 2ixl s ALA 174 Ca 0.42 1.59 -0.09 0.00 0.00 0.00 0.00 51.96 53.89 2ixl s ALA 174 Cb 0.26 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.73 2ixl s ALA 174 CO 0.22 -0.98 0.14 -2.00 0.00 0.00 0.00 175.76 173.15 2ixl s GLU 175 N 0.06 2.92 0.21 0.00 2.56 -0.79 -4.94 118.70 118.72 2ixl s GLU 175 Ca 0.67 -0.99 0.08 0.00 0.00 0.00 0.00 54.97 54.73 2ixl s GLU 175 Cb -0.49 -3.56 -0.05 0.00 2.00 0.00 0.00 34.13 32.04 2ixl s GLU 175 CO 0.43 -0.59 -0.14 0.08 -0.56 0.00 0.00 175.26 174.48 2ixl s VAL 176 N 1.51 1.74 0.68 3.70 1.01 -1.26 -1.63 120.40 126.15 2ixl s VAL 176 Ca 0.02 -2.21 -0.12 0.00 0.00 0.00 0.00 61.98 59.67 2ixl s VAL 176 Cb -0.18 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2ixl s VAL 176 CO 0.05 -0.57 1.06 -0.94 0.00 0.00 0.00 175.10 174.70 2ixl s SER 177 N -3.33 5.44 0.26 3.32 1.04 -1.26 -4.95 113.70 114.22 2ixl s SER 177 Ca 0.23 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 2ixl s SER 177 Cb -0.00 -2.50 0.46 0.00 0.10 0.00 0.00 66.02 64.07 2ixl s SER 177 CO 0.07 -1.40 1.82 -0.33 0.98 0.00 0.00 173.24 174.38 2ixl h GLU 178 N -0.49 0.83 -0.26 4.02 5.08 -2.01 -2.17 114.58 119.59 2ixl h GLU 178 Ca -0.44 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2ixl h GLU 178 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2ixl h GLU 178 CO 0.57 0.55 0.16 0.00 -1.00 0.00 0.00 179.01 179.29 2ixl h ALA 179 N 1.49 0.33 0.00 3.43 0.00 -1.99 -2.83 119.26 119.70 2ixl h ALA 179 Ca 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2ixl h ALA 179 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ixl h ALA 179 CO -0.26 -0.21 -0.14 -0.44 0.00 0.00 0.00 179.25 178.19 2ixl h ASP 180 N 0.34 0.00 0.43 0.00 3.32 -1.79 -1.39 116.42 117.33 2ixl h ASP 180 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2ixl h ASP 180 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2ixl h ASP 180 CO -0.03 0.14 -0.34 -0.33 -1.72 0.00 0.00 179.24 176.96 2ixl h GLU 181 N 0.00 0.00 -0.24 3.56 5.08 -1.15 -3.35 114.58 118.48 2ixl h GLU 181 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ixl h GLU 181 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ixl h GLU 181 CO 0.02 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.46 2ixl n ASN 182 N -3.97 2.66 -4.75 1.42 3.02 -0.54 -5.01 115.26 108.08 2ixl n ASN 182 Ca -0.02 -1.81 -0.35 0.00 -0.03 0.00 0.00 54.58 52.37 2ixl n ASN 182 Cb 0.40 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.45 2ixl n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ixl s HIS 183 N -1.03 2.41 0.66 3.10 3.76 -1.12 -4.99 115.29 118.09 2ixl s HIS 183 Ca 0.22 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.52 2ixl s HIS 183 Cb 0.13 -3.43 -0.00 0.00 1.11 0.00 0.00 32.58 30.39 2ixl s HIS 183 CO 0.17 -2.12 1.09 -1.25 -0.85 0.00 0.00 174.74 171.77 2ixl s PRO 184 N -3.45 2.90 0.78 8.40 0.04 -1.26 -4.20 135.00 138.20 2ixl s PRO 184 Ca 0.76 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2ixl s PRO 184 Cb -0.28 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2ixl s PRO 184 CO 0.34 -1.15 1.09 -0.06 0.04 0.00 0.00 177.00 177.26 2ixl s PHE 185 N -2.52 2.63 0.42 0.56 0.40 -1.26 -0.77 117.98 117.43 2ixl s PHE 185 Ca 0.64 1.50 0.13 0.00 -0.60 0.00 0.00 56.93 58.59 2ixl s PHE 185 Cb -0.18 -3.04 0.98 0.00 0.51 0.00 0.00 43.02 41.29 2ixl s PHE 185 CO 0.43 -1.78 1.96 1.25 0.70 0.00 0.00 175.22 177.78 2ixl h LEU 186 N -1.12 0.43 -2.80 -0.37 5.85 -1.93 -1.12 115.31 114.25 2ixl h LEU 186 Ca -0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2ixl h LEU 186 Cb 1.23 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2ixl h LEU 186 CO 0.53 0.26 -0.00 0.07 -0.34 0.00 0.00 178.44 178.95 2ixl h LYS 187 N 0.48 0.00 -0.53 1.25 2.10 -2.02 -1.11 116.57 116.74 2ixl h LYS 187 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2ixl h LYS 187 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2ixl h LYS 187 CO -0.10 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.11 2ixl n ASP 188 N -3.21 3.77 -4.39 7.07 8.00 -0.43 -4.91 116.55 122.45 2ixl n ASP 188 Ca -0.03 -2.19 -0.37 0.00 0.71 0.00 0.00 54.79 52.91 2ixl n ASP 188 Cb 0.09 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 2ixl n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ixl s VAL 189 N -1.36 4.15 -0.05 2.53 1.01 -0.42 -4.96 120.40 121.31 2ixl s VAL 189 Ca 0.40 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2ixl s VAL 189 Cb 0.23 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2ixl s VAL 189 CO 0.23 0.20 1.33 -0.75 0.00 0.00 0.00 175.10 176.11 2ixl s LYS 190 N 1.56 4.29 0.30 2.72 2.20 -1.26 -4.98 119.74 124.57 2ixl s LYS 190 Ca 0.05 1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 57.21 2ixl s LYS 190 Cb -0.16 -3.62 -0.13 0.00 -1.51 0.00 0.00 37.83 32.41 2ixl s LYS 190 CO 0.03 -0.57 1.27 -2.30 -0.36 0.00 0.00 175.35 173.43 2ixl n PRO 191 N 5.60 1.96 -2.69 4.03 -0.02 -1.26 -4.92 135.00 137.70 2ixl n PRO 191 Ca 0.13 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 2ixl n PRO 191 Cb 0.45 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2ixl n PRO 191 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ixl s LEU 192 N -0.44 4.17 0.43 2.45 1.43 -0.24 -4.54 118.68 121.94 2ixl s LEU 192 Ca 0.60 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.91 2ixl s LEU 192 Cb -0.62 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 41.97 2ixl s LEU 192 CO 0.58 -0.55 0.96 -0.13 0.23 0.00 0.00 176.35 177.44 2ixl s ARG 193 N 2.59 4.22 -0.37 1.70 0.52 -1.26 -0.67 118.95 125.67 2ixl s ARG 193 Ca 0.45 1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2ixl s ARG 193 Cb -0.17 -2.22 -0.13 0.00 0.52 0.00 0.00 34.95 32.96 2ixl s ARG 193 CO 0.12 -0.04 0.84 1.63 0.02 0.00 0.00 175.30 177.86 2ixl n LYS 194 N -0.58 0.00 -3.99 3.54 4.76 -1.26 0.17 118.16 120.80 2ixl n LYS 194 Ca 0.07 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.16 2ixl n LYS 194 Cb 0.54 -0.41 0.01 0.00 -1.84 0.00 0.00 35.03 33.33 2ixl n LYS 194 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ixl n GLU 195 N 2.21 -0.43 0.00 1.97 1.02 -1.26 -1.22 120.64 122.93 2ixl n GLU 195 Ca 0.25 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2ixl n GLU 195 Cb 0.07 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2ixl n GLU 195 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ixl n ASP 196 N -1.34 0.00 0.00 1.62 9.92 0.46 -5.25 116.55 121.97 2ixl n ASP 196 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2ixl n ASP 196 Cb 0.42 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 2ixl n ASP 196 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51