#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ixl n ASN 4 N 0.00 1.47 0.02 4.31 2.04 -1.26 -4.83 115.26 117.01 2ixl n ASN 4 Ca 0.00 -2.78 0.00 0.00 -0.44 0.00 0.00 54.58 51.36 2ixl n ASN 4 Cb 0.00 -0.54 0.00 0.00 -2.53 0.00 0.00 39.78 36.71 2ixl n ASN 4 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 2ixl n PHE 5 N -0.03 -0.17 -3.03 -2.53 7.35 -1.26 -5.05 117.46 112.75 2ixl n PHE 5 Ca 0.12 0.03 -0.32 0.00 -0.76 0.00 0.00 57.45 56.52 2ixl n PHE 5 Cb 0.80 0.11 -0.06 0.00 0.35 0.00 0.00 39.48 40.68 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 3.38 -0.63 -5.13 0.40 -1.26 -4.51 117.98 108.23 2ixl s PHE 6 Ca 0.00 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 2ixl s PHE 6 Cb 0.00 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.96 2ixl s PHE 6 CO 0.00 0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2ixl n GLY 7 N -0.60 0.83 3.77 4.36 0.00 -0.66 -4.90 105.19 108.00 2ixl n GLY 7 Ca 0.04 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.40 3.49 0.14 1.61 1.02 -1.26 -4.96 119.74 117.37 2ixl s LYS 8 Ca 0.00 1.81 -0.30 0.00 0.02 0.00 0.00 55.97 57.50 2ixl s LYS 8 Cb 0.00 -2.24 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 2ixl s LYS 8 CO 0.00 -0.79 1.13 0.99 -0.92 0.00 0.00 175.35 175.76 2ixl s THR 9 N -1.56 3.94 0.07 2.17 2.01 -1.26 -3.75 115.64 117.25 2ixl s THR 9 Ca 0.68 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.95 2ixl s THR 9 Cb -0.29 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 2ixl s THR 9 CO 0.35 0.22 1.81 -0.22 -0.69 0.00 0.00 174.62 176.09 2ixl s LEU 10 N 0.08 4.39 0.08 4.42 2.96 -1.26 -4.68 118.68 124.68 2ixl s LEU 10 Ca 0.52 2.61 -0.21 0.00 -0.22 0.00 0.00 54.13 56.84 2ixl s LEU 10 Cb -0.29 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 42.90 2ixl s LEU 10 CO 0.33 -0.98 0.51 0.00 -1.32 0.00 0.00 176.35 174.89 2ixl s ALA 11 N 3.35 -1.29 0.03 5.97 0.00 -1.14 -4.99 121.76 123.69 2ixl s ALA 11 Ca 0.81 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.25 2ixl s ALA 11 Cb -0.42 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2ixl s ALA 11 CO 0.36 -0.58 -0.15 0.00 0.00 0.00 0.00 175.76 175.39 2ixl s ALA 12 N -2.96 1.27 0.01 0.00 0.00 -1.26 -1.45 121.76 117.36 2ixl s ALA 12 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2ixl s ALA 12 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2ixl s ALA 12 CO -0.06 0.27 -0.10 1.03 0.00 0.00 0.00 175.76 176.90 2ixl s ARG 13 N -0.91 0.76 0.79 0.00 0.52 0.02 -4.97 118.95 115.16 2ixl s ARG 13 Ca 0.04 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 2ixl s ARG 13 Cb -0.07 -0.72 0.06 0.00 0.52 0.00 0.00 34.95 34.74 2ixl s ARG 13 CO 0.01 0.19 1.11 -1.25 0.02 0.00 0.00 175.30 175.38 2ixl s PRO 14 N -0.53 2.16 -0.36 3.54 0.04 -1.26 -0.70 135.00 137.89 2ixl s PRO 14 Ca 0.02 0.49 -0.05 0.00 0.04 0.00 0.00 61.00 61.49 2ixl s PRO 14 Cb -0.05 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.61 2ixl s PRO 14 CO 0.00 -1.53 0.13 0.08 0.04 0.00 0.00 177.00 175.71 2ixl s VAL 15 N -3.27 3.57 0.27 -0.36 1.01 -1.21 -4.82 120.40 115.59 2ixl s VAL 15 Ca 0.61 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2ixl s VAL 15 Cb -0.13 -3.14 0.26 0.00 0.00 0.00 0.00 36.38 33.37 2ixl s VAL 15 CO 0.53 -0.32 1.74 -0.33 0.00 0.00 0.00 175.10 176.72 2ixl h GLU 16 N 8.16 0.54 0.00 2.72 5.08 -1.96 -1.87 114.58 127.25 2ixl h GLU 16 Ca -0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2ixl h GLU 16 Cb 1.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2ixl h GLU 16 CO 0.63 0.36 -0.06 0.00 -1.00 0.00 0.00 179.01 178.94 2ixl h ALA 17 N 1.61 1.00 -2.96 3.43 0.00 -1.95 -3.40 119.26 117.00 2ixl h ALA 17 Ca 0.50 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.76 2ixl h ALA 17 Cb 0.80 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.18 2ixl h ALA 17 CO -0.42 0.07 -0.76 0.42 0.00 0.00 0.00 179.25 178.56 2ixl s ILE 18 N -3.57 1.03 0.28 0.00 1.01 -0.70 -4.78 121.20 114.46 2ixl s ILE 18 Ca 0.02 -2.09 -0.30 0.00 0.00 0.00 0.00 60.65 58.28 2ixl s ILE 18 Cb 0.08 -1.74 -0.13 0.00 0.01 0.00 0.00 42.46 40.68 2ixl s ILE 18 CO 0.59 -0.85 1.33 -2.65 0.00 0.00 0.00 174.94 173.36 2ixl n PRO 19 N 3.98 2.00 0.00 2.79 -0.02 -1.26 -2.29 135.00 140.20 2ixl n PRO 19 Ca 0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2ixl n PRO 19 Cb 0.37 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.62 3.33 3.78 -1.23 0.00 -1.26 -4.92 105.19 106.51 2ixl n GLY 20 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.68 4.08 0.01 1.61 0.00 -0.97 -4.55 119.30 118.80 2ixl s MET 21 Ca 0.00 1.62 0.03 0.00 0.00 0.00 0.00 55.69 57.34 2ixl s MET 21 Cb 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 34.83 32.27 2ixl s MET 21 CO 0.00 -0.24 -0.09 -0.51 0.00 0.00 0.00 175.02 174.18 2ixl s LEU 22 N -2.66 2.09 -0.14 4.11 1.43 -0.99 -3.34 118.68 119.17 2ixl s LEU 22 Ca 0.58 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2ixl s LEU 22 Cb -0.25 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 2ixl s LEU 22 CO 0.31 0.02 -0.15 -0.70 0.23 0.00 0.00 176.35 176.06 2ixl s GLU 23 N -0.64 3.26 -0.05 1.70 2.12 0.12 -0.96 118.70 124.24 2ixl s GLU 23 Ca 0.00 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.61 2ixl s GLU 23 Cb -0.05 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 2ixl s GLU 23 CO 0.00 0.10 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.67 2ixl s PHE 24 N 0.61 2.86 -0.10 5.30 0.40 -0.11 -0.80 117.98 126.13 2ixl s PHE 24 Ca -0.09 -0.04 -0.20 0.00 -0.60 0.00 0.00 56.93 56.01 2ixl s PHE 24 Cb -0.16 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2ixl s PHE 24 CO 0.03 0.30 0.55 -0.51 0.70 0.00 0.00 175.22 176.29 2ixl s ASP 25 N -0.88 6.78 -0.16 1.36 1.01 -0.53 -1.93 116.67 122.32 2ixl s ASP 25 Ca 0.13 0.93 -0.01 0.00 0.71 0.00 0.00 52.55 54.31 2ixl s ASP 25 Cb -0.11 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 2ixl s ASP 25 CO 0.02 -0.04 -0.11 -0.63 0.21 0.00 0.00 175.17 174.62 2ixl s ILE 26 N 0.69 3.07 0.10 0.77 -1.09 -0.29 -2.89 121.20 121.55 2ixl s ILE 26 Ca 0.30 -0.63 -0.31 0.00 -2.23 0.00 0.00 60.65 57.77 2ixl s ILE 26 Cb -0.16 -2.32 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 2ixl s ILE 26 CO 0.13 0.50 1.65 -2.84 -1.23 0.00 0.00 174.94 173.15 2ixl s PRO 27 N 0.76 4.19 -0.14 2.79 0.02 -1.25 -4.59 135.00 136.79 2ixl s PRO 27 Ca -0.05 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.36 2ixl s PRO 27 Cb -0.15 -3.50 0.01 0.00 0.02 0.00 0.00 34.50 30.88 2ixl s PRO 27 CO 0.01 -0.72 -0.19 0.08 -0.33 0.00 0.00 177.00 175.86 2ixl s VAL 28 N 2.32 1.85 -0.29 3.83 1.01 -1.26 -4.37 120.40 123.49 2ixl s VAL 28 Ca 0.74 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 2ixl s VAL 28 Cb -0.41 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 2ixl s VAL 28 CO 0.32 0.51 0.09 -1.00 0.00 0.00 0.00 175.10 175.03 2ixl s HIS 29 N 0.99 3.14 0.04 5.22 3.76 -0.45 -1.65 115.29 126.33 2ixl s HIS 29 Ca -0.04 -0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 54.07 2ixl s HIS 29 Cb -0.15 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 2ixl s HIS 29 CO -0.04 -0.52 0.16 0.20 -0.85 0.00 0.00 174.74 173.69 2ixl s GLY 30 N 1.54 2.13 0.00 -2.22 0.00 -1.26 -1.47 107.32 106.05 2ixl s GLY 30 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2ixl s GLY 30 CO 0.03 -0.80 0.00 2.09 0.00 0.00 0.00 173.10 174.42 2ixl n ASP 31 N 0.62 0.00 0.15 1.64 5.68 -0.48 -5.00 116.55 119.16 2ixl n ASP 31 Ca -0.08 -0.31 0.12 0.00 -0.50 0.00 0.00 54.79 54.02 2ixl n ASP 31 Cb 0.52 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.00 0.35 -1.12 -1.07 -2.04 -2.99 115.58 108.71 2ixl h ASN 32 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 2ixl h ASN 32 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 2ixl h ASN 32 CO 0.00 0.00 -1.79 0.54 0.07 0.00 0.00 177.43 176.25 2ixl n ARG 33 N -2.33 0.65 0.00 4.14 1.74 -1.26 -5.09 116.66 114.51 2ixl n ARG 33 Ca 0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2ixl n ARG 33 Cb 0.19 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2ixl n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ixl n GLY 34 N 1.43 0.49 3.54 -0.13 0.00 -1.13 -5.14 105.19 104.24 2ixl n GLY 34 Ca -0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 0.37 -0.02 1.61 1.48 -1.26 -1.38 118.94 119.73 2ixl s TRP 35 Ca 0.00 -0.72 -0.02 0.00 -1.06 0.00 0.00 56.10 54.30 2ixl s TRP 35 Cb 0.00 0.15 0.01 0.00 -1.16 0.00 0.00 33.47 32.46 2ixl s TRP 35 CO 0.00 -0.95 0.06 0.12 -4.06 0.00 0.00 176.95 172.12 2ixl s PHE 36 N -4.01 -0.06 0.01 1.66 5.36 -0.54 -4.99 117.98 115.42 2ixl s PHE 36 Ca 0.22 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 2ixl s PHE 36 Cb 0.00 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.66 2ixl s PHE 36 CO 0.07 -0.04 -0.02 -1.59 -1.46 0.00 0.00 175.22 172.18 2ixl s LYS 37 N 0.16 0.23 -0.87 10.12 -2.85 -1.26 -1.35 119.74 123.92 2ixl s LYS 37 Ca -0.01 -0.41 -0.24 0.00 -1.00 0.00 0.00 55.97 54.31 2ixl s LYS 37 Cb -0.02 0.03 0.05 0.00 -2.06 0.00 0.00 37.83 35.84 2ixl s LYS 37 CO -0.00 -0.02 1.31 -1.21 0.10 0.00 0.00 175.35 175.52 2ixl s GLU 38 N -0.95 3.39 0.22 1.78 2.02 -1.26 -4.91 118.70 118.98 2ixl s GLU 38 Ca -0.10 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 2ixl s GLU 38 Cb -0.07 -4.75 0.17 0.00 0.10 0.00 0.00 34.13 29.59 2ixl s GLU 38 CO -0.01 -2.11 1.77 -0.97 0.02 0.00 0.00 175.26 173.96 2ixl h ASN 39 N 9.79 1.08 -3.62 -0.19 -0.73 -1.97 -3.43 115.58 116.50 2ixl h ASN 39 Ca -0.04 -0.19 -0.25 0.00 1.87 0.00 0.00 56.30 57.70 2ixl h ASN 39 Cb 1.03 -0.28 -0.30 0.00 0.27 0.00 0.00 38.32 39.04 2ixl h ASN 39 CO 1.32 0.98 -0.67 0.12 -0.37 0.00 0.00 177.43 178.81 2ixl s PHE 40 N -5.46 -0.05 -0.22 0.67 5.36 -1.26 -5.04 117.98 111.99 2ixl s PHE 40 Ca -0.12 0.20 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 2ixl s PHE 40 Cb 0.15 -0.07 0.09 0.00 -0.34 0.00 0.00 43.02 42.85 2ixl s PHE 40 CO 0.84 -0.07 0.20 -1.14 -1.46 0.00 0.00 175.22 173.59 2ixl s GLN 41 N 0.54 0.19 0.13 10.12 -0.44 -1.26 -5.06 119.66 123.87 2ixl s GLN 41 Ca -0.04 0.05 -0.18 0.00 -2.50 0.00 0.00 55.36 52.68 2ixl s GLN 41 Cb -0.06 -1.23 -0.04 0.00 -1.64 0.00 0.00 33.01 30.03 2ixl s GLN 41 CO -0.02 -0.74 1.75 -0.22 0.50 0.00 0.00 175.29 176.56 2ixl h LYS 42 N 8.33 0.38 -0.57 1.67 3.64 -2.00 -0.95 116.57 127.08 2ixl h LYS 42 Ca -0.17 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2ixl h LYS 42 Cb 1.13 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2ixl h LYS 42 CO 0.30 0.30 0.24 1.49 -2.27 0.00 0.00 179.45 179.51 2ixl h GLU 43 N 0.35 0.81 0.00 1.90 4.81 -2.02 -2.17 114.58 118.27 2ixl h GLU 43 Ca 0.10 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2ixl h GLU 43 Cb 0.02 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2ixl h GLU 43 CO -0.02 0.66 -0.84 0.87 -0.73 0.00 0.00 179.01 178.95 2ixl h LYS 44 N 0.81 0.00 0.00 1.92 1.57 -1.94 -3.39 116.57 115.54 2ixl h LYS 44 Ca 0.20 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 2ixl h LYS 44 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2ixl h LYS 44 CO -0.02 0.70 -1.85 -1.33 -0.57 0.00 0.00 179.45 176.38 2ixl n MET 45 N -3.25 0.64 -0.16 3.15 2.81 -0.39 -4.24 117.12 115.70 2ixl n MET 45 Ca -0.01 0.24 -0.02 0.00 -1.81 0.00 0.00 57.70 56.10 2ixl n MET 45 Cb 0.85 -1.74 0.06 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.09 -2.67 4.03 3.38 -1.59 -1.87 115.31 116.50 2ixl h LEU 46 Ca -0.34 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2ixl h LEU 46 Cb 2.06 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.97 2ixl h LEU 46 CO 0.07 -0.02 -0.01 -0.65 0.09 0.00 0.00 178.44 177.92 2ixl h PRO 47 N 0.18 0.00 -0.01 1.13 0.11 -1.77 -2.40 132.00 129.24 2ixl h PRO 47 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2ixl h PRO 47 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2ixl h PRO 47 CO -0.37 0.01 -0.10 1.28 -0.21 0.00 0.00 178.00 178.61 2ixl n LEU 48 N -3.25 1.20 0.00 2.35 4.77 -0.74 -4.95 117.00 116.39 2ixl n LEU 48 Ca -0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2ixl n LEU 48 Cb 0.11 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2ixl n LEU 48 CO 0.23 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2ixl n GLY 49 N 1.24 1.01 3.67 -0.72 0.00 -0.90 -4.76 105.19 104.73 2ixl n GLY 49 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.61 2.45 -2.16 1.61 7.35 -1.01 -4.86 117.46 120.22 2ixl n PHE 50 Ca 0.00 -0.18 -0.42 0.00 -0.76 0.00 0.00 57.45 56.09 2ixl n PHE 50 Cb 0.00 -2.73 -0.03 0.00 0.35 0.00 0.00 39.48 37.07 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 3.97 4.27 0.47 -7.13 0.04 -1.26 -4.45 135.00 130.91 2ixl s PRO 51 Ca 0.89 2.05 0.21 0.00 0.04 0.00 0.00 61.00 64.19 2ixl s PRO 51 Cb -0.55 -3.53 1.22 0.00 0.04 0.00 0.00 34.50 31.68 2ixl s PRO 51 CO 0.45 -0.58 1.91 0.93 0.04 0.00 0.00 177.00 179.75 2ixl h GLU 52 N 7.76 0.24 0.00 4.56 5.08 -1.93 -1.56 114.58 128.73 2ixl h GLU 52 Ca -0.39 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2ixl h GLU 52 Cb 1.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2ixl h GLU 52 CO 0.90 0.16 0.08 0.66 -1.00 0.00 0.00 179.01 179.81 2ixl h SER 53 N 0.25 0.00 -0.56 1.42 4.64 -2.01 -1.40 113.55 115.89 2ixl h SER 53 Ca 0.39 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.83 2ixl h SER 53 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2ixl h SER 53 CO -0.09 0.00 0.39 0.15 -0.87 0.00 0.00 176.83 176.40 2ixl h PHE 54 N 0.00 0.30 -0.46 4.77 3.57 -1.67 -2.00 116.94 121.45 2ixl h PHE 54 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ixl h PHE 54 Cb 0.16 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2ixl h PHE 54 CO 0.00 0.14 0.00 1.19 -2.23 0.00 0.00 178.31 177.41 2ixl n PHE 55 N -4.45 0.61 -0.29 0.41 3.01 -0.53 -4.68 117.46 111.54 2ixl n PHE 55 Ca 0.10 -0.30 0.13 0.00 1.01 0.00 0.00 57.45 58.38 2ixl n PHE 55 Cb 0.44 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 40.28 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 4.29 1.83 -0.01 4.37 0.00 -1.48 -2.30 119.26 125.95 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 0.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ixl h ALA 56 CO 0.00 -0.11 -0.32 0.39 0.00 0.00 0.00 179.25 179.21 2ixl n GLU 57 N -4.60 1.55 -1.05 0.00 1.02 -1.26 -4.98 120.64 111.32 2ixl n GLU 57 Ca 0.19 -0.99 -0.02 0.00 -0.02 0.00 0.00 57.16 56.32 2ixl n GLU 57 Cb 0.52 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.50 3.76 0.62 0.00 -0.87 -5.01 105.19 105.40 2ixl n GLY 58 Ca 0.08 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.18 4.42 -0.11 1.61 1.02 -1.26 -5.06 119.74 119.17 2ixl s LYS 59 Ca 0.00 0.94 -0.05 0.00 0.02 0.00 0.00 55.97 56.87 2ixl s LYS 59 Cb 0.00 -3.34 0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2ixl s LYS 59 CO 0.00 0.37 0.26 -1.17 -0.92 0.00 0.00 175.35 173.89 2ixl s LEU 60 N -0.29 0.27 0.00 3.17 2.96 -1.26 -4.50 118.68 119.03 2ixl s LEU 60 Ca 0.35 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 2ixl s LEU 60 Cb -0.20 0.76 -0.00 0.00 0.50 0.00 0.00 46.19 47.25 2ixl s LEU 60 CO 0.21 -0.18 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.47 2ixl s GLN 61 N 1.46 0.12 -0.20 1.98 0.74 -0.86 -5.02 119.66 117.88 2ixl s GLN 61 Ca -0.08 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.24 2ixl s GLN 61 Cb -0.11 -0.07 0.03 0.00 1.10 0.00 0.00 33.01 33.97 2ixl s GLN 61 CO -0.09 0.02 -0.16 1.21 -0.55 0.00 0.00 175.29 175.72 2ixl s ASN 62 N -0.19 3.53 0.10 6.67 2.47 -1.26 -1.03 114.94 125.23 2ixl s ASN 62 Ca -0.01 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.41 2ixl s ASN 62 Cb -0.02 -1.46 -0.04 0.00 -1.45 0.00 0.00 41.25 38.29 2ixl s ASN 62 CO -0.00 -0.08 0.12 0.20 -3.72 0.00 0.00 177.10 173.63 2ixl s ASN 63 N 1.26 5.70 -0.04 -4.21 0.01 -0.42 -4.97 114.94 112.26 2ixl s ASN 63 Ca 0.00 0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 2ixl s ASN 63 Cb -0.15 -1.57 0.02 0.00 0.41 0.00 0.00 41.25 39.96 2ixl s ASN 63 CO -0.10 0.14 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.89 2ixl s VAL 64 N -1.51 0.54 0.09 1.60 1.01 -1.26 -1.20 120.40 119.67 2ixl s VAL 64 Ca 0.31 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2ixl s VAL 64 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ixl s VAL 64 CO 0.24 0.22 -0.13 -0.94 0.00 0.00 0.00 175.10 174.48 2ixl s SER 65 N 0.76 4.18 -0.12 3.32 1.04 -0.38 -4.97 113.70 117.52 2ixl s SER 65 Ca -0.10 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.94 2ixl s SER 65 Cb -0.13 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.25 2ixl s SER 65 CO 0.00 0.20 -0.20 0.12 0.98 0.00 0.00 173.24 174.35 2ixl s PHE 66 N -1.12 2.39 0.03 5.02 5.36 -1.26 -0.90 117.98 127.50 2ixl s PHE 66 Ca 0.19 -1.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 2ixl s PHE 66 Cb -0.11 -1.65 -0.02 0.00 -0.34 0.00 0.00 43.02 40.90 2ixl s PHE 66 CO 0.11 -0.54 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.15 2ixl s SER 67 N 0.81 0.62 0.47 6.13 0.01 -0.67 -4.99 113.70 116.09 2ixl s SER 67 Ca -0.08 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.68 2ixl s SER 67 Cb -0.16 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2ixl s SER 67 CO -0.00 -0.23 0.67 0.00 0.41 0.00 0.00 173.24 174.09 2ixl s ARG 68 N -1.47 2.90 0.11 12.44 1.70 -1.26 -1.04 118.95 132.32 2ixl s ARG 68 Ca -0.12 -0.67 -0.35 0.00 -0.47 0.00 0.00 55.73 54.13 2ixl s ARG 68 Cb -0.10 -2.58 -0.17 0.00 -0.57 0.00 0.00 34.95 31.54 2ixl s ARG 68 CO -0.00 -0.37 1.10 1.17 -1.08 0.00 0.00 175.30 176.13 2ixl n LYS 69 N -2.10 0.71 -0.07 3.89 3.00 0.07 -1.88 118.16 121.77 2ixl n LYS 69 Ca 0.03 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 2ixl n LYS 69 Cb 0.58 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.89 2ixl n LYS 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2ixl n ASN 70 N 1.98 0.00 -4.69 3.14 3.02 -0.60 -4.92 115.26 113.19 2ixl n ASN 70 Ca 0.17 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.29 2ixl n ASN 70 Cb 0.19 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.00 1.25 -4.14 2.41 0.31 -0.79 -2.16 118.33 113.20 2ixl n VAL 71 Ca 0.00 -0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 63.74 2ixl n VAL 71 Cb 0.00 -1.55 -0.17 0.00 -0.91 0.00 0.00 33.84 31.21 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 -0.26 1.52 -0.10 7.52 0.20 -0.43 -1.01 118.68 126.12 2ixl s LEU 72 Ca 0.64 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.10 2ixl s LEU 72 Cb -0.61 -1.01 -0.01 0.00 -0.43 0.00 0.00 46.19 44.13 2ixl s LEU 72 CO 0.53 -0.05 -0.21 -0.13 -0.29 0.00 0.00 176.35 176.20 2ixl s ARG 73 N 1.36 3.09 0.00 1.98 0.52 -0.37 -4.43 118.95 121.10 2ixl s ARG 73 Ca 0.00 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2ixl s ARG 73 Cb -0.13 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 32.96 2ixl s ARG 73 CO -0.06 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2ixl n GLY 74 N 3.45 0.93 3.57 -3.53 0.00 -1.26 -1.18 105.19 107.15 2ixl n GLY 74 Ca -0.19 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 3.62 -0.10 0.99 1.43 -1.02 -4.36 118.68 119.24 2ixl s LEU 75 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2ixl s LEU 75 Cb 0.00 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2ixl s LEU 75 CO 0.00 0.12 -0.19 -1.00 0.23 0.00 0.00 176.35 175.51 2ixl s HIS 76 N 0.66 2.24 -0.46 0.29 3.76 -0.28 -1.86 115.29 119.64 2ixl s HIS 76 Ca 0.02 -0.98 0.08 0.00 -0.15 0.00 0.00 55.06 54.03 2ixl s HIS 76 Cb -0.13 -1.54 0.39 0.00 1.11 0.00 0.00 32.58 32.40 2ixl s HIS 76 CO 0.02 -0.45 0.98 0.00 -0.85 0.00 0.00 174.74 174.44 2ixl n ALA 77 N 3.85 4.27 -1.09 -1.40 0.00 0.14 -0.96 120.51 125.31 2ixl n ALA 77 Ca -0.20 -4.15 -0.32 0.00 0.00 0.00 0.00 53.44 48.77 2ixl n ALA 77 Cb 0.52 -0.72 0.12 0.00 0.00 0.00 0.00 19.45 19.37 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 1.76 -0.95 0.00 8.01 -1.26 -3.90 118.70 119.06 2ixl s GLU 78 Ca 0.44 1.56 -0.07 0.00 0.01 0.00 0.00 54.97 56.91 2ixl s GLU 78 Cb 0.36 -1.81 -0.13 0.00 -4.31 0.00 0.00 34.13 28.25 2ixl s GLU 78 CO -0.12 -2.08 2.85 -0.35 0.01 0.00 0.00 175.26 175.56 2ixl n PRO 79 N -3.42 2.71 -3.77 0.39 -0.04 -1.26 -4.32 135.00 125.29 2ixl n PRO 79 Ca 0.12 -1.60 -0.09 0.00 -0.04 0.00 0.00 63.50 61.88 2ixl n PRO 79 Cb 0.51 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 2.16 -0.11 0.37 0.54 -2.14 -1.26 -4.91 118.94 113.59 2ixl s TRP 80 Ca 0.59 -0.24 -0.10 0.00 2.66 0.00 0.00 56.10 59.00 2ixl s TRP 80 Cb 0.19 0.45 -0.07 0.00 -3.10 0.00 0.00 33.47 30.95 2ixl s TRP 80 CO -0.03 -0.99 0.73 -0.51 -2.66 0.00 0.00 176.95 173.49 2ixl s ASP 81 N -2.89 6.55 -0.02 -2.66 1.01 -1.26 -3.89 116.67 113.51 2ixl s ASP 81 Ca 0.10 1.09 0.02 0.00 0.71 0.00 0.00 52.55 54.47 2ixl s ASP 81 Cb -0.02 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.61 2ixl s ASP 81 CO -0.00 -0.33 -0.06 -0.54 0.21 0.00 0.00 175.17 174.44 2ixl s LYS 82 N -3.65 0.68 -0.24 8.23 1.02 -0.67 -3.40 119.74 121.71 2ixl s LYS 82 Ca 0.51 -0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 2ixl s LYS 82 Cb -0.10 -0.67 0.03 0.00 -0.52 0.00 0.00 37.83 36.57 2ixl s LYS 82 CO 0.29 0.06 -0.09 -0.47 -0.92 0.00 0.00 175.35 174.22 2ixl s TYR 83 N 0.26 3.07 0.03 3.18 5.04 -0.21 -0.55 117.35 128.17 2ixl s TYR 83 Ca -0.03 -1.74 0.08 0.00 -2.44 0.00 0.00 57.07 52.94 2ixl s TYR 83 Cb -0.08 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.19 2ixl s TYR 83 CO -0.00 -0.78 -0.23 0.42 -1.34 0.00 0.00 175.55 173.62 2ixl s ILE 84 N 1.27 2.36 0.39 3.14 1.01 -0.07 -1.23 121.20 128.07 2ixl s ILE 84 Ca -0.01 -1.25 -0.14 0.00 0.00 0.00 0.00 60.65 59.24 2ixl s ILE 84 Cb -0.17 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.43 2ixl s ILE 84 CO -0.06 0.41 0.78 -0.55 0.00 0.00 0.00 174.94 175.51 2ixl s SER 85 N -1.17 0.09 -0.14 3.58 0.15 -0.79 -1.29 113.70 114.14 2ixl s SER 85 Ca 0.12 -1.21 -0.06 0.00 0.70 0.00 0.00 55.95 55.50 2ixl s SER 85 Cb -0.10 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2ixl s SER 85 CO 0.02 -1.70 0.06 -0.69 1.20 0.00 0.00 173.24 172.14 2ixl s VAL 86 N -2.23 4.81 -1.38 4.45 1.01 -1.26 -1.14 120.40 124.66 2ixl s VAL 86 Ca 0.17 -0.04 0.18 0.00 0.00 0.00 0.00 61.98 62.28 2ixl s VAL 86 Cb -0.05 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 2ixl s VAL 86 CO 0.12 0.54 0.87 0.00 0.00 0.00 0.00 175.10 176.64 2ixl n ALA 87 N 2.74 3.65 -3.00 5.51 0.00 0.27 -4.26 120.51 125.42 2ixl n ALA 87 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2ixl n ALA 87 Cb 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.55 1.00 -0.58 0.00 5.75 -1.26 -4.98 116.55 115.94 2ixl n ASP 88 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.87 2ixl n ASP 88 Cb 0.35 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.55 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 3.63 0.63 1.45 6.12 0.00 -1.26 -4.47 105.19 111.29 2ixl n GLY 89 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 0.69 -0.30 3.40 -0.02 0.00 -1.26 -4.99 105.19 102.71 2ixl n GLY 90 Ca 0.08 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.76 0.57 0.12 1.61 2.20 -1.26 -4.40 119.74 114.82 2ixl s LYS 91 Ca 0.27 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.65 2ixl s LYS 91 Cb -0.01 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2ixl s LYS 91 CO 0.18 -0.08 -0.11 0.14 -0.36 0.00 0.00 175.35 175.12 2ixl s VAL 92 N 0.44 1.11 -0.45 4.02 -7.23 -0.57 -0.98 120.40 116.75 2ixl s VAL 92 Ca -0.01 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.11 2ixl s VAL 92 Cb -0.04 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.33 2ixl s VAL 92 CO -0.02 -0.61 0.68 -0.22 -0.31 0.00 0.00 175.10 174.63 2ixl s LEU 93 N -2.75 4.46 0.25 1.32 2.96 -0.02 -0.95 118.68 123.96 2ixl s LEU 93 Ca 0.11 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 2ixl s LEU 93 Cb -0.01 -2.76 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 2ixl s LEU 93 CO 0.01 -0.83 0.83 -0.83 -1.32 0.00 0.00 176.35 174.21 2ixl s GLY 94 N 2.09 2.76 -0.02 7.98 0.00 -0.02 -1.88 107.32 118.23 2ixl s GLY 94 Ca 0.24 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.31 2ixl s GLY 94 CO 0.19 0.78 0.03 -1.59 0.00 0.00 0.00 173.10 172.52 2ixl s THR 95 N -1.48 -0.03 -0.02 0.90 2.01 -0.62 -1.85 115.64 114.55 2ixl s THR 95 Ca 0.44 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2ixl s THR 95 Cb -0.19 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 2ixl s THR 95 CO 0.23 0.05 -0.09 0.26 -0.69 0.00 0.00 174.62 174.39 2ixl s TRP 96 N 0.62 0.87 -0.11 4.92 0.51 -0.20 -1.43 118.94 124.12 2ixl s TRP 96 Ca -0.05 -0.19 -0.00 0.00 -2.12 0.00 0.00 56.10 53.73 2ixl s TRP 96 Cb -0.07 -0.60 0.02 0.00 -0.81 0.00 0.00 33.47 32.01 2ixl s TRP 96 CO -0.02 -0.06 -0.09 0.08 -0.51 0.00 0.00 176.95 176.35 2ixl s VAL 97 N 0.03 1.14 -0.18 4.03 1.01 -0.95 -2.05 120.40 123.42 2ixl s VAL 97 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2ixl s VAL 97 Cb -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2ixl s VAL 97 CO 0.00 0.38 1.27 -0.62 0.00 0.00 0.00 175.10 176.13 2ixl s ASP 98 N 1.56 6.91 0.00 3.32 -1.08 0.03 -0.53 116.67 126.89 2ixl s ASP 98 Ca 0.03 1.64 0.15 0.00 -0.52 0.00 0.00 52.55 53.85 2ixl s ASP 98 Cb -0.13 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 2ixl s ASP 98 CO -0.07 -0.80 1.36 0.18 0.52 0.00 0.00 175.17 176.36 2ixl n LEU 99 N 6.72 3.30 -4.76 -1.34 4.77 -0.56 -0.28 117.00 124.86 2ixl n LEU 99 Ca 0.14 -1.99 -0.39 0.00 -0.03 0.00 0.00 56.01 53.74 2ixl n LEU 99 Cb 0.45 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2ixl n LEU 99 CO 0.57 0.82 0.67 -0.13 -1.33 0.00 0.00 177.39 177.99 2ixl s ARG 100 N -1.00 4.73 0.22 3.23 0.52 -1.22 -1.08 118.95 124.35 2ixl s ARG 100 Ca 0.33 1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 56.72 2ixl s ARG 100 Cb 0.17 -3.12 -0.11 0.00 0.52 0.00 0.00 34.95 32.41 2ixl s ARG 100 CO 0.22 0.39 1.58 -1.83 0.02 0.00 0.00 175.30 175.68 2ixl s GLU 101 N -1.49 4.19 0.00 3.54 -1.05 -0.29 -3.66 118.70 119.94 2ixl s GLU 101 Ca 0.44 2.45 0.00 0.00 -0.15 0.00 0.00 54.97 57.71 2ixl s GLU 101 Cb -0.25 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 2ixl s GLU 101 CO 0.31 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2ixl n GLY 102 N 3.09 0.85 0.13 -3.83 0.00 -1.26 -4.90 105.19 99.26 2ixl n GLY 102 Ca 0.11 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 0.20 -0.10 1.61 -0.58 -1.26 -2.97 120.64 117.54 2ixl n GLU 103 Ca 0.00 0.39 0.07 0.00 -0.42 0.00 0.00 57.16 57.20 2ixl n GLU 103 Cb 0.00 -1.86 0.12 0.00 -0.57 0.00 0.00 31.44 29.13 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 -2.24 0.42 -1.67 2.62 -2.24 -1.26 -4.99 114.28 104.93 2ixl n THR 104 Ca 0.03 -0.71 -0.49 0.00 -2.27 0.00 0.00 64.05 60.61 2ixl n THR 104 Cb 0.26 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.82 2.16 -0.10 4.78 7.35 -1.16 -1.11 117.46 130.21 2ixl n PHE 105 Ca 0.11 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 2ixl n PHE 105 Cb 0.41 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.70 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 3.68 1.31 3.75 7.13 0.00 0.62 -5.02 105.19 116.67 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 -2.97 5.39 0.17 1.61 -0.87 -0.27 -4.71 114.94 113.29 2ixl s ASN 107 Ca 0.00 2.52 0.04 0.00 -1.57 0.00 0.00 52.86 53.85 2ixl s ASN 107 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 2ixl s ASN 107 CO 0.00 -1.47 -0.06 0.42 -2.57 0.00 0.00 177.10 173.42 2ixl s THR 108 N -1.47 1.07 -0.06 1.60 -4.23 -1.26 -0.79 115.64 110.51 2ixl s THR 108 Ca 0.73 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.03 2ixl s THR 108 Cb -0.34 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2ixl s THR 108 CO 0.39 -0.60 0.39 -0.47 -0.54 0.00 0.00 174.62 173.78 2ixl s TYR 109 N -3.39 -0.33 -0.01 3.99 5.04 -0.87 -4.89 117.35 116.90 2ixl s TYR 109 Ca 0.21 0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2ixl s TYR 109 Cb 0.04 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 2ixl s TYR 109 CO 0.03 -0.36 0.04 -0.65 -1.34 0.00 0.00 175.55 173.27 2ixl s GLN 110 N -0.83 0.19 -0.01 4.97 -0.21 -1.26 -1.03 119.66 121.48 2ixl s GLN 110 Ca -0.09 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.82 2ixl s GLN 110 Cb -0.04 0.08 0.08 0.00 1.00 0.00 0.00 33.01 34.13 2ixl s GLN 110 CO 0.04 -0.03 0.70 -0.08 -2.12 0.00 0.00 175.29 173.79 2ixl s THR 111 N -0.58 0.00 0.12 -0.19 -1.32 -0.77 -5.00 115.64 107.89 2ixl s THR 111 Ca -0.07 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.11 2ixl s THR 111 Cb -0.04 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 2ixl s THR 111 CO -0.00 0.00 1.09 -0.69 -2.21 0.00 0.00 174.62 172.81 2ixl s VAL 112 N -1.81 4.12 -0.14 5.08 1.01 -1.26 -0.84 120.40 126.56 2ixl s VAL 112 Ca -0.07 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2ixl s VAL 112 Cb -0.00 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2ixl s VAL 112 CO 0.04 0.23 -0.20 -0.63 0.00 0.00 0.00 175.10 174.53 2ixl s ILE 113 N 0.28 1.92 0.02 2.22 1.01 -0.13 -4.93 121.20 121.60 2ixl s ILE 113 Ca 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2ixl s ILE 113 Cb -0.28 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 2ixl s ILE 113 CO 0.32 0.52 0.00 -0.90 0.00 0.00 0.00 174.94 174.88 2ixl n ASP 114 N 4.23 1.73 0.28 3.58 5.68 -1.26 -1.52 116.55 129.27 2ixl n ASP 114 Ca -0.20 -1.08 0.19 0.00 -0.50 0.00 0.00 54.79 53.21 2ixl n ASP 114 Cb 0.51 0.02 1.01 0.00 -1.14 0.00 0.00 41.12 41.52 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 1.01 1.00 -0.25 2.12 0.00 -1.77 -2.38 119.26 118.99 2ixl h ALA 115 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ixl h ALA 115 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ixl h ALA 115 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 2ixl n SER 116 N -2.84 1.83 -4.04 0.00 3.41 -1.26 -4.82 113.62 105.91 2ixl n SER 116 Ca -0.02 -1.83 -0.16 0.00 -0.26 0.00 0.00 58.87 56.60 2ixl n SER 116 Cb 0.08 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.67 0.60 0.13 4.33 2.20 -0.89 -1.14 119.74 123.29 2ixl s LYS 117 Ca 0.30 -0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2ixl s LYS 117 Cb 0.16 -0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 2ixl s LYS 117 CO 0.23 0.12 0.02 -1.54 -0.36 0.00 0.00 175.35 173.82 2ixl s SER 118 N -0.88 0.61 -0.02 1.43 1.04 -0.81 -4.44 113.70 110.63 2ixl s SER 118 Ca -0.02 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2ixl s SER 118 Cb -0.06 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.30 2ixl s SER 118 CO 0.00 -0.66 0.00 -0.63 0.98 0.00 0.00 173.24 172.94 2ixl s ILE 119 N -3.91 0.10 -0.24 -1.02 -1.09 -0.41 -0.94 121.20 113.70 2ixl s ILE 119 Ca 0.21 0.06 -0.13 0.00 -2.23 0.00 0.00 60.65 58.56 2ixl s ILE 119 Cb 0.07 -0.17 -0.04 0.00 -1.58 0.00 0.00 42.46 40.74 2ixl s ILE 119 CO 0.00 0.09 0.29 0.12 -1.23 0.00 0.00 174.94 174.21 2ixl s PHE 120 N 0.65 3.31 -0.29 3.97 5.36 -0.14 -0.90 117.98 129.95 2ixl s PHE 120 Ca -0.06 0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.29 2ixl s PHE 120 Cb -0.09 -2.43 0.05 0.00 -0.34 0.00 0.00 43.02 40.21 2ixl s PHE 120 CO -0.01 -0.05 -0.03 0.08 -1.46 0.00 0.00 175.22 173.75 2ixl s VAL 121 N 1.43 2.80 0.58 3.12 1.01 0.29 -2.35 120.40 127.28 2ixl s VAL 121 Ca 0.13 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 2ixl s VAL 121 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2ixl s VAL 121 CO 0.07 -0.07 1.12 -2.16 0.00 0.00 0.00 175.10 174.07 2ixl s PRO 122 N 1.22 3.18 0.23 2.72 0.04 -1.26 -1.66 135.00 139.47 2ixl s PRO 122 Ca -0.06 1.54 -0.32 0.00 0.04 0.00 0.00 61.00 62.21 2ixl s PRO 122 Cb -0.20 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 2ixl s PRO 122 CO -0.02 -0.97 1.48 2.89 0.04 0.00 0.00 177.00 180.41 2ixl n ARG 123 N -1.65 2.16 0.00 4.56 1.85 -1.25 -2.39 116.66 119.95 2ixl n ARG 123 Ca 0.11 0.77 0.00 0.00 -1.00 0.00 0.00 57.85 57.73 2ixl n ARG 123 Cb 0.51 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 2ixl n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ixl n GLY 124 N 2.47 0.32 3.53 2.89 0.00 -1.26 -5.00 105.19 108.14 2ixl n GLY 124 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 4.99 0.24 1.61 1.01 -1.00 -1.50 120.40 123.74 2ixl s VAL 125 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2ixl s VAL 125 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2ixl s VAL 125 CO 0.00 0.23 1.21 0.00 0.00 0.00 0.00 175.10 176.54 2ixl s ALA 126 N 1.71 3.46 -0.07 5.51 0.00 0.31 -4.64 121.76 128.03 2ixl s ALA 126 Ca 0.07 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2ixl s ALA 126 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2ixl s ALA 126 CO 0.09 -0.40 -0.07 1.21 0.00 0.00 0.00 175.76 176.59 2ixl s ASN 127 N -0.21 4.65 0.27 0.00 2.47 -0.14 -2.25 114.94 119.74 2ixl s ASN 127 Ca 0.51 -0.03 -0.17 0.00 0.42 0.00 0.00 52.86 53.58 2ixl s ASN 127 Cb -0.34 -1.22 0.01 0.00 -1.45 0.00 0.00 41.25 38.25 2ixl s ASN 127 CO 0.41 0.35 0.63 -0.83 -3.72 0.00 0.00 177.10 173.94 2ixl s GLY 128 N -0.72 0.19 0.06 1.21 0.00 -0.51 -1.12 107.32 106.42 2ixl s GLY 128 Ca 0.11 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 2ixl s GLY 128 CO 0.02 -0.31 0.57 -0.11 0.00 0.00 0.00 173.10 173.26 2ixl s PHE 129 N -3.89 -0.49 -0.06 1.90 -0.12 -0.33 -1.59 117.98 113.41 2ixl s PHE 129 Ca 0.16 0.53 0.05 0.00 -0.05 0.00 0.00 56.93 57.62 2ixl s PHE 129 Cb -0.04 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 2ixl s PHE 129 CO 0.08 -0.69 -0.22 -1.14 -0.05 0.00 0.00 175.22 173.19 2ixl s GLN 130 N -2.61 2.36 -0.11 1.99 0.74 -0.79 -1.23 119.66 120.01 2ixl s GLN 130 Ca -0.04 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.26 2ixl s GLN 130 Cb -0.01 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 32.10 2ixl s GLN 130 CO -0.03 0.31 1.12 0.08 -0.55 0.00 0.00 175.29 176.23 2ixl s VAL 131 N -0.04 4.49 -0.14 1.34 1.01 -0.18 -0.84 120.40 126.05 2ixl s VAL 131 Ca -0.05 1.79 0.17 0.00 0.00 0.00 0.00 61.98 63.89 2ixl s VAL 131 Cb -0.14 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 2ixl s VAL 131 CO 0.04 -0.04 0.34 0.18 0.00 0.00 0.00 175.10 175.62 2ixl n LEU 132 N 5.42 0.28 -4.99 3.92 4.77 -0.15 -1.56 117.00 124.69 2ixl n LEU 132 Ca 0.11 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 2ixl n LEU 132 Cb 0.47 0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.97 2ixl n LEU 132 CO 0.54 0.37 0.50 -0.94 -1.33 0.00 0.00 177.39 176.52 2ixl s SER 133 N -5.52 4.58 0.16 -1.43 1.04 -1.17 -4.91 113.70 106.45 2ixl s SER 133 Ca -0.08 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 2ixl s SER 133 Cb 0.08 -0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.17 2ixl s SER 133 CO 0.84 -1.69 1.77 0.44 0.98 0.00 0.00 173.24 175.58 2ixl h ASP 134 N -0.35 0.26 -5.33 7.02 3.32 -1.94 -3.20 116.42 116.20 2ixl h ASP 134 Ca -0.36 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.56 2ixl h ASP 134 Cb 1.27 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 2ixl h ASP 134 CO 0.42 0.19 -0.66 -0.36 -1.72 0.00 0.00 179.24 177.11 2ixl s PHE 135 N -6.15 0.69 -0.11 4.55 0.40 -1.26 -0.76 117.98 115.34 2ixl s PHE 135 Ca -0.13 -1.15 -0.14 0.00 -0.60 0.00 0.00 56.93 54.91 2ixl s PHE 135 Cb 0.12 -0.43 0.03 0.00 0.51 0.00 0.00 43.02 43.25 2ixl s PHE 135 CO 0.72 -0.45 0.37 0.54 0.70 0.00 0.00 175.22 177.10 2ixl s VAL 136 N -3.98 0.01 -0.27 -0.44 0.11 -0.21 -4.31 120.40 111.31 2ixl s VAL 136 Ca 0.15 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 2ixl s VAL 136 Cb 0.08 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2ixl s VAL 136 CO -0.04 -0.06 0.13 0.00 -3.33 0.00 0.00 175.10 171.80 2ixl s ALA 137 N -0.16 3.35 -0.22 1.54 0.00 -1.26 -1.67 121.76 123.34 2ixl s ALA 137 Ca -0.03 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2ixl s ALA 137 Cb -0.03 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.82 2ixl s ALA 137 CO 0.02 -0.52 -0.11 -0.47 0.00 0.00 0.00 175.76 174.67 2ixl s TYR 138 N 1.69 2.97 -0.07 0.00 5.04 -0.07 -0.57 117.35 126.35 2ixl s TYR 138 Ca 0.07 -1.56 0.05 0.00 -2.44 0.00 0.00 57.07 53.19 2ixl s TYR 138 Cb -0.16 -2.01 -0.00 0.00 0.35 0.00 0.00 41.96 40.14 2ixl s TYR 138 CO 0.07 -0.74 -0.22 0.45 -1.34 0.00 0.00 175.55 173.77 2ixl s SER 139 N 1.32 2.79 0.02 4.32 0.15 -0.30 -1.25 113.70 120.75 2ixl s SER 139 Ca 0.02 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.16 2ixl s SER 139 Cb -0.15 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.18 2ixl s SER 139 CO -0.07 0.18 0.03 -0.72 1.20 0.00 0.00 173.24 173.87 2ixl s TYR 140 N 0.10 0.19 -0.13 3.44 -0.85 -0.34 -1.88 117.35 117.88 2ixl s TYR 140 Ca -0.09 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.03 2ixl s TYR 140 Cb -0.15 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 2ixl s TYR 140 CO 0.05 -0.24 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.28 2ixl s LEU 141 N -1.52 3.21 0.14 -3.49 1.43 -0.36 -1.30 118.68 116.79 2ixl s LEU 141 Ca -0.14 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2ixl s LEU 141 Cb -0.08 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2ixl s LEU 141 CO -0.01 0.23 -0.05 0.68 0.23 0.00 0.00 176.35 177.43 2ixl s VAL 142 N -0.01 0.85 -0.18 -1.59 -7.23 -0.20 -1.04 120.40 111.00 2ixl s VAL 142 Ca 0.00 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2ixl s VAL 142 Cb -0.13 -1.89 0.38 0.00 0.56 0.00 0.00 36.38 35.30 2ixl s VAL 142 CO 0.03 -0.69 1.20 -0.46 -0.31 0.00 0.00 175.10 174.86 2ixl n ASN 143 N -0.17 1.82 -3.89 4.85 6.94 -1.22 -2.02 115.26 121.58 2ixl n ASN 143 Ca -0.10 -3.61 -0.08 0.00 -0.02 0.00 0.00 54.58 50.77 2ixl n ASN 143 Cb 0.62 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 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 -3.08 -0.18 -0.24 0.53 -1.08 -1.26 -4.65 116.67 106.71 2ixl s ASP 144 Ca 0.36 -0.76 -0.06 0.00 -0.52 0.00 0.00 52.55 51.57 2ixl s ASP 144 Cb 0.34 0.68 -0.02 0.00 -1.46 0.00 0.00 42.92 42.46 2ixl s ASP 144 CO -0.05 -1.28 0.03 -0.31 0.52 0.00 0.00 175.17 174.09 2ixl s TYR 145 N -3.91 3.04 0.39 -5.34 1.51 -1.26 -4.84 117.35 106.94 2ixl s TYR 145 Ca 0.16 -0.59 -0.28 0.00 -1.01 0.00 0.00 57.07 55.35 2ixl s TYR 145 Cb -0.04 -2.19 -0.10 0.00 -0.11 0.00 0.00 41.96 39.52 2ixl s TYR 145 CO 0.08 -0.42 1.47 -0.46 -1.11 0.00 0.00 175.55 175.11 2ixl s TRP 146 N 1.55 2.58 -0.03 2.71 -0.00 -1.26 -5.04 118.94 119.45 2ixl s TRP 146 Ca 0.06 1.19 -0.00 0.00 -0.00 0.00 0.00 56.10 57.35 2ixl s TRP 146 Cb -0.15 -4.00 0.03 0.00 -0.00 0.00 0.00 33.47 29.36 2ixl s TRP 146 CO 0.01 -2.95 0.04 0.00 -0.00 0.00 0.00 176.95 174.05 2ixl s ALA 147 N -1.14 0.13 0.25 5.86 0.00 -1.26 -5.04 121.76 120.56 2ixl s ALA 147 Ca 0.54 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2ixl s ALA 147 Cb -0.46 -0.34 0.47 0.00 0.00 0.00 0.00 23.12 22.79 2ixl s ALA 147 CO 0.62 -0.19 1.76 1.25 0.00 0.00 0.00 175.76 179.19 2ixl h LEU 148 N 7.56 0.46 -2.19 0.00 5.85 -2.02 -1.76 115.31 123.21 2ixl h LEU 148 Ca -0.38 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2ixl h LEU 148 Cb 1.12 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2ixl h LEU 148 CO 0.40 0.21 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.35 2ixl h GLU 149 N 0.59 0.00 -0.00 1.25 3.07 -2.03 -2.61 114.58 114.84 2ixl h GLU 149 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2ixl h GLU 149 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2ixl h GLU 149 CO -0.35 0.04 -0.78 1.28 -1.40 0.00 0.00 179.01 177.81 2ixl n LEU 150 N -4.00 0.98 -0.35 1.33 4.32 -0.68 -4.55 117.00 114.05 2ixl n LEU 150 Ca -0.03 -0.39 0.13 0.00 -0.02 0.00 0.00 56.01 55.71 2ixl n LEU 150 Cb 0.13 -0.07 0.32 0.00 -1.62 0.00 0.00 43.42 42.18 2ixl n LEU 150 CO 0.30 0.23 1.18 0.50 -1.22 0.00 0.00 177.39 178.38 2ixl h LYS 151 N 0.31 0.70 0.00 3.23 3.64 -1.21 -0.61 116.57 122.64 2ixl h LYS 151 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ixl h LYS 151 Cb 0.53 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2ixl h LYS 151 CO 0.00 0.47 0.05 -2.30 -2.27 0.00 0.00 179.45 175.40 2ixl n PRO 152 N -4.80 0.10 0.01 1.90 -0.02 -1.26 -1.52 135.00 129.42 2ixl n PRO 152 Ca 0.23 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 2ixl n PRO 152 Cb 0.58 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2ixl n PRO 152 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ixl n LYS 153 N -2.06 0.30 -2.32 -0.52 4.81 -0.24 -4.97 118.16 113.17 2ixl n LYS 153 Ca -0.01 -0.04 -0.33 0.00 -0.87 0.00 0.00 58.31 57.06 2ixl n LYS 153 Cb 0.08 -1.56 -0.02 0.00 0.02 0.00 0.00 35.03 33.55 2ixl n LYS 153 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2ixl s TYR 154 N -3.22 3.08 -0.01 5.64 2.02 -0.57 -5.03 117.35 119.26 2ixl s TYR 154 Ca 0.02 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 58.05 2ixl s TYR 154 Cb 0.15 -2.99 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 2ixl s TYR 154 CO 0.84 -0.84 0.61 0.00 -1.57 0.00 0.00 175.55 174.59 2ixl s ALA 155 N -2.30 3.47 0.03 3.71 0.00 -1.25 -5.01 121.76 120.42 2ixl s ALA 155 Ca 0.64 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2ixl s ALA 155 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 2ixl s ALA 155 CO 0.29 0.14 0.05 -0.06 0.00 0.00 0.00 175.76 176.18 2ixl s PHE 156 N -0.10 0.26 -0.01 0.00 0.40 -1.26 -0.68 117.98 116.59 2ixl s PHE 156 Ca 0.32 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2ixl s PHE 156 Cb -0.18 -0.19 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 2ixl s PHE 156 CO 0.18 -0.33 0.03 0.54 0.70 0.00 0.00 175.22 176.33 2ixl s VAL 157 N -2.52 0.02 0.06 -0.44 0.11 -0.77 -4.50 120.40 112.36 2ixl s VAL 157 Ca -0.06 -0.20 -0.31 0.00 -2.93 0.00 0.00 61.98 58.48 2ixl s VAL 157 Cb -0.02 -0.11 -0.07 0.00 -1.53 0.00 0.00 36.38 34.65 2ixl s VAL 157 CO -0.04 -0.11 1.47 0.21 -3.33 0.00 0.00 175.10 173.30 2ixl s ASN 158 N -0.32 6.76 0.51 3.54 3.84 0.36 -2.43 114.94 127.21 2ixl s ASN 158 Ca -0.04 2.30 0.20 0.00 0.21 0.00 0.00 52.86 55.53 2ixl s ASN 158 Cb -0.02 -2.57 1.28 0.00 -0.55 0.00 0.00 41.25 39.39 2ixl s ASN 158 CO -0.00 -0.75 2.05 0.10 -2.79 0.00 0.00 177.10 175.71 2ixl h TYR 159 N 7.57 0.08 -0.64 0.43 -0.00 -1.81 -2.78 116.97 119.82 2ixl h TYR 159 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 2ixl h TYR 159 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2ixl h TYR 159 CO 0.72 0.04 0.00 0.00 -0.00 0.00 0.00 178.16 178.92 2ixl n ALA 160 N -2.58 2.39 -1.96 0.10 0.00 -1.26 -4.92 120.51 112.28 2ixl n ALA 160 Ca 0.05 -1.21 -0.43 0.00 0.00 0.00 0.00 53.44 51.85 2ixl n ALA 160 Cb 0.37 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.14 6.23 0.05 0.00 -1.08 -1.05 -4.87 116.67 114.81 2ixl s ASP 161 Ca 0.46 1.82 0.18 0.00 -0.52 0.00 0.00 52.55 54.49 2ixl s ASP 161 Cb 0.25 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.94 2ixl s ASP 161 CO 0.33 -1.35 1.57 -0.81 0.52 0.00 0.00 175.17 175.43 2ixl n PRO 162 N 7.84 0.04 0.21 4.34 -0.04 -1.26 -2.34 135.00 143.79 2ixl n PRO 162 Ca 0.21 0.25 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 2ixl n PRO 162 Cb 0.45 -1.57 0.59 0.00 -0.04 0.00 0.00 33.50 32.92 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 -3.62 3.54 4.64 -1.99 -3.44 113.55 112.68 2ixl h SER 163 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2ixl h SER 163 Cb 0.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2ixl h SER 163 CO 0.00 0.00 0.53 -0.76 -0.87 0.00 0.00 176.83 175.73 2ixl s LEU 164 N -5.47 4.49 -1.52 5.97 1.43 -0.99 -4.93 118.68 117.67 2ixl s LEU 164 Ca 0.03 2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 55.29 2ixl s LEU 164 Cb 0.09 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2ixl s LEU 164 CO 0.49 -0.29 2.74 0.47 0.23 0.00 0.00 176.35 179.98 2ixl n ASP 165 N 1.98 8.36 -4.17 2.29 10.43 -1.26 -4.84 116.55 129.34 2ixl n ASP 165 Ca 0.02 -2.78 -0.11 0.00 2.57 0.00 0.00 54.79 54.49 2ixl n ASP 165 Cb 0.45 -1.49 -0.10 0.00 1.84 0.00 0.00 41.12 41.81 2ixl n ASP 165 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2ixl s ILE 166 N 1.03 0.55 -0.06 0.53 -4.36 -1.26 -4.81 121.20 112.82 2ixl s ILE 166 Ca 0.64 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 59.09 2ixl s ILE 166 Cb 0.18 -1.80 0.03 0.00 1.25 0.00 0.00 42.46 42.11 2ixl s ILE 166 CO -0.07 -0.75 0.01 -0.75 0.24 0.00 0.00 174.94 173.62 2ixl s LYS 167 N -3.89 0.47 0.60 0.37 2.20 -1.26 -5.10 119.74 113.13 2ixl s LYS 167 Ca 0.15 0.16 -0.10 0.00 -0.36 0.00 0.00 55.97 55.82 2ixl s LYS 167 Cb 0.06 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 35.48 2ixl s LYS 167 CO -0.03 -0.30 0.99 -1.58 -0.36 0.00 0.00 175.35 174.07 2ixl s TRP 168 N 1.96 3.59 0.08 4.03 0.52 -1.26 -5.00 118.94 122.86 2ixl s TRP 168 Ca 0.04 1.17 -0.21 0.00 0.02 0.00 0.00 56.10 57.12 2ixl s TRP 168 Cb -0.12 -2.67 -0.11 0.00 -1.15 0.00 0.00 33.47 29.42 2ixl s TRP 168 CO -0.05 -0.65 1.63 1.49 0.02 0.00 0.00 176.95 179.40 2ixl h GLU 169 N -0.24 0.19 -2.03 4.98 4.57 -1.96 -3.40 114.58 116.68 2ixl h GLU 169 Ca -0.45 -0.03 -0.44 0.00 -1.18 0.00 0.00 59.36 57.27 2ixl h GLU 169 Cb 1.20 -0.03 -0.32 0.00 -0.16 0.00 0.00 28.75 29.43 2ixl h GLU 169 CO 0.62 0.26 -0.77 1.21 -1.18 0.00 0.00 179.01 179.15 2ixl s ASN 170 N -5.49 1.13 0.16 1.04 3.84 -1.26 -5.02 114.94 109.35 2ixl s ASN 170 Ca -0.14 -2.14 -0.09 0.00 0.21 0.00 0.00 52.86 50.70 2ixl s ASN 170 Cb 0.06 0.31 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2ixl s ASN 170 CO 0.69 -0.21 1.50 0.25 -2.79 0.00 0.00 177.10 176.54 2ixl h LEU 171 N 6.34 0.94 -1.61 3.21 5.85 -1.99 -2.65 115.31 125.40 2ixl h LEU 171 Ca 0.12 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 2ixl h LEU 171 Cb 1.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2ixl h LEU 171 CO 0.23 1.21 -0.21 -0.33 -0.34 0.00 0.00 178.44 179.00 2ixl h GLU 172 N 0.73 0.00 -0.22 1.25 3.07 -1.98 -2.82 114.58 114.61 2ixl h GLU 172 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2ixl h GLU 172 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2ixl h GLU 172 CO 0.09 0.21 0.00 0.39 -1.40 0.00 0.00 179.01 178.30 2ixl n GLU 173 N -4.02 2.64 -2.06 2.33 1.02 -1.20 -5.03 120.64 114.32 2ixl n GLU 173 Ca -0.02 -2.58 -0.41 0.00 -0.02 0.00 0.00 57.16 54.12 2ixl n GLU 173 Cb 0.29 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.41 3.58 -0.27 0.62 0.00 -1.00 -4.86 121.76 117.41 2ixl s ALA 174 Ca 0.35 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 2ixl s ALA 174 Cb 0.27 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 2ixl s ALA 174 CO 0.09 -0.70 0.06 -2.00 0.00 0.00 0.00 175.76 173.20 2ixl s GLU 175 N -0.82 3.26 0.25 0.00 2.12 -0.92 -4.94 118.70 117.64 2ixl s GLU 175 Ca 0.56 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2ixl s GLU 175 Cb -0.41 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2ixl s GLU 175 CO 0.46 -0.34 -0.09 0.14 -0.54 0.00 0.00 175.26 174.89 2ixl s VAL 176 N 1.52 1.66 0.61 3.70 -7.23 -1.26 -1.31 120.40 118.09 2ixl s VAL 176 Ca 0.04 -2.16 -0.14 0.00 -1.81 0.00 0.00 61.98 57.91 2ixl s VAL 176 Cb -0.16 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 2ixl s VAL 176 CO 0.02 -0.42 1.04 -0.94 -0.31 0.00 0.00 175.10 174.49 2ixl s SER 177 N -3.39 5.87 0.26 4.85 1.04 -1.26 -4.94 113.70 116.13 2ixl s SER 177 Ca 0.27 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 2ixl s SER 177 Cb 0.02 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 64.06 2ixl s SER 177 CO 0.10 -1.11 1.85 -0.08 0.98 0.00 0.00 173.24 174.98 2ixl h GLU 178 N 0.16 0.98 -0.81 4.02 4.81 -2.01 -1.78 114.58 119.95 2ixl h GLU 178 Ca -0.46 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2ixl h GLU 178 Cb 1.21 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 2ixl h GLU 178 CO 0.58 0.65 0.52 0.00 -0.73 0.00 0.00 179.01 180.03 2ixl h ALA 179 N 1.47 1.06 0.00 2.92 0.00 -1.99 -1.78 119.26 120.95 2ixl h ALA 179 Ca 0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 2ixl h ALA 179 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ixl h ALA 179 CO -0.22 0.35 -0.28 -0.44 0.00 0.00 0.00 179.25 178.67 2ixl h ASP 180 N 1.02 0.00 0.33 0.00 3.32 -1.74 -2.52 116.42 116.83 2ixl h ASP 180 Ca 0.32 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2ixl h ASP 180 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ixl h ASP 180 CO -0.11 0.28 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.18 2ixl h GLU 181 N 0.00 0.00 -0.18 3.56 4.39 -0.49 -3.31 114.58 118.55 2ixl h GLU 181 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ixl h GLU 181 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2ixl h GLU 181 CO 0.04 0.17 0.00 0.09 -1.16 0.00 0.00 179.01 178.15 2ixl n ASN 182 N -3.87 2.54 -4.75 1.42 3.02 -0.95 -5.01 115.26 107.66 2ixl n ASN 182 Ca -0.02 -1.74 -0.34 0.00 -0.03 0.00 0.00 54.58 52.45 2ixl n ASN 182 Cb 0.27 -0.11 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.08 2.32 0.68 3.10 3.76 -1.19 -4.99 115.29 117.89 2ixl s HIS 183 Ca 0.21 1.57 -0.15 0.00 -0.15 0.00 0.00 55.06 56.54 2ixl s HIS 183 Cb 0.13 -3.36 0.01 0.00 1.11 0.00 0.00 32.58 30.47 2ixl s HIS 183 CO 0.18 -2.19 1.12 -1.25 -0.85 0.00 0.00 174.74 171.75 2ixl s PRO 184 N -3.85 2.65 0.65 8.40 0.04 -1.26 -4.23 135.00 137.39 2ixl s PRO 184 Ca 0.72 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2ixl s PRO 184 Cb -0.26 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2ixl s PRO 184 CO 0.41 -1.37 1.04 -0.06 0.04 0.00 0.00 177.00 177.06 2ixl s PHE 185 N -2.34 3.33 0.29 0.56 0.40 -1.26 -0.49 117.98 118.47 2ixl s PHE 185 Ca 0.67 1.38 0.04 0.00 -0.60 0.00 0.00 56.93 58.42 2ixl s PHE 185 Cb -0.21 -2.82 0.68 0.00 0.51 0.00 0.00 43.02 41.17 2ixl s PHE 185 CO 0.43 -0.96 1.78 1.25 0.70 0.00 0.00 175.22 178.42 2ixl h LEU 186 N -0.37 0.74 -1.86 -0.37 5.85 -1.95 -0.68 115.31 116.67 2ixl h LEU 186 Ca -0.44 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.53 2ixl h LEU 186 Cb 1.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2ixl h LEU 186 CO 0.59 0.28 0.44 0.11 -0.34 0.00 0.00 178.44 179.52 2ixl h LYS 187 N 0.75 0.14 -0.50 1.25 1.57 -2.01 -1.96 116.57 115.80 2ixl h LYS 187 Ca 0.55 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2ixl h LYS 187 Cb 0.81 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2ixl h LYS 187 CO -0.37 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.35 2ixl n ASP 188 N -4.41 3.37 -4.42 0.86 8.00 -0.27 -4.84 116.55 114.86 2ixl n ASP 188 Ca 0.12 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.25 2ixl n ASP 188 Cb 0.60 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.34 4.65 0.12 2.53 1.01 -0.74 -4.94 120.40 121.69 2ixl s VAL 189 Ca 0.41 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 2ixl s VAL 189 Cb 0.23 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 2ixl s VAL 189 CO 0.31 -0.08 1.38 -0.75 0.00 0.00 0.00 175.10 175.96 2ixl s LYS 190 N 1.60 4.33 0.32 2.72 2.20 -1.26 -4.97 119.74 124.68 2ixl s LYS 190 Ca 0.04 2.07 -0.28 0.00 -0.36 0.00 0.00 55.97 57.43 2ixl s LYS 190 Cb -0.18 -3.24 -0.13 0.00 -1.51 0.00 0.00 37.83 32.77 2ixl s LYS 190 CO 0.07 -0.41 1.19 -2.30 -0.36 0.00 0.00 175.35 173.54 2ixl n PRO 191 N 3.79 1.85 -2.83 4.03 -0.02 -1.26 -4.92 135.00 135.63 2ixl n PRO 191 Ca 0.11 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 2ixl n PRO 191 Cb 0.42 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.46 4.21 0.54 2.45 1.43 -0.24 -4.58 118.68 122.03 2ixl s LEU 192 Ca 0.57 1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 54.92 2ixl s LEU 192 Cb -0.62 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 42.27 2ixl s LEU 192 CO 0.61 -0.40 0.84 -0.13 0.23 0.00 0.00 176.35 177.50 2ixl s ARG 193 N 2.02 3.06 0.40 1.70 0.52 -1.26 -1.14 118.95 124.25 2ixl s ARG 193 Ca 0.41 -0.06 0.10 0.00 -0.52 0.00 0.00 55.73 55.66 2ixl s ARG 193 Cb -0.17 -2.35 0.90 0.00 0.52 0.00 0.00 34.95 33.86 2ixl s ARG 193 CO 0.14 -0.53 1.97 0.87 0.02 0.00 0.00 175.30 177.78 2ixl h LYS 194 N 0.01 0.54 0.00 3.54 1.79 -1.96 -0.20 116.57 120.28 2ixl h LYS 194 Ca -0.46 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 2ixl h LYS 194 Cb 1.25 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2ixl h LYS 194 CO 0.60 0.36 -0.03 0.93 -1.08 0.00 0.00 179.45 180.23 2ixl h GLU 195 N 0.56 0.00 -0.00 3.15 3.07 -2.03 -2.37 114.58 116.96 2ixl h GLU 195 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2ixl h GLU 195 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2ixl h GLU 195 CO -0.09 0.03 -0.35 -0.25 -1.40 0.00 0.00 179.01 176.95 2ixl n ASP 196 N -3.51 0.60 -0.02 1.42 8.00 -0.09 -5.26 116.55 117.70 2ixl n ASP 196 Ca -0.02 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2ixl n ASP 196 Cb 0.13 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2ixl n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99