#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 0.66 -1.73 -2.82 -0.58 -1.26 -4.98 120.64 109.93 2ixl n GLU 3 Ca 0.00 0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 2ixl n GLU 3 Cb 0.00 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2ixl n GLU 3 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2ixl n ASN 4 N -2.79 3.24 -0.06 1.62 0.23 -1.26 -4.94 115.26 111.31 2ixl n ASN 4 Ca -0.22 1.22 -0.14 0.00 -0.53 0.00 0.00 54.58 54.90 2ixl n ASN 4 Cb 1.02 -1.55 -0.07 0.00 -2.08 0.00 0.00 39.78 37.10 2ixl n ASN 4 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2ixl h PHE 5 N 2.80 0.58 -2.72 -2.53 3.57 -1.98 -3.43 116.94 113.23 2ixl h PHE 5 Ca -0.48 -0.20 -0.66 0.00 3.53 0.00 0.00 57.97 60.16 2ixl h PHE 5 Cb 1.26 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 2ixl h PHE 5 CO 0.52 0.90 -0.47 -0.06 -2.23 0.00 0.00 178.31 176.96 2ixl s PHE 6 N -4.10 3.58 0.00 0.41 0.40 -1.26 -4.42 117.98 112.59 2ixl s PHE 6 Ca -0.13 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 2ixl s PHE 6 Cb 0.06 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2ixl s PHE 6 CO 0.79 0.69 0.00 0.41 0.70 0.00 0.00 175.22 177.81 2ixl n GLY 7 N 2.14 0.53 3.78 4.36 0.00 -0.53 -4.94 105.19 110.53 2ixl n GLY 7 Ca -0.19 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.25 3.09 0.08 1.61 1.02 -1.26 -4.97 119.74 118.06 2ixl s LYS 8 Ca 0.00 1.46 -0.28 0.00 0.02 0.00 0.00 55.97 57.17 2ixl s LYS 8 Cb 0.00 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2ixl s LYS 8 CO 0.00 -1.03 0.88 0.99 -0.92 0.00 0.00 175.35 175.27 2ixl s THR 9 N -2.11 4.62 0.05 2.17 2.01 -1.26 -3.92 115.64 117.20 2ixl s THR 9 Ca 0.69 1.89 -0.31 0.00 0.31 0.00 0.00 61.69 64.27 2ixl s THR 9 Cb -0.21 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 2ixl s THR 9 CO 0.35 0.33 1.91 -0.11 -0.69 0.00 0.00 174.62 176.40 2ixl n LEU 10 N 2.87 4.01 -3.65 4.42 7.94 -1.26 -4.72 117.00 126.61 2ixl n LEU 10 Ca 0.01 0.94 -0.11 0.00 -1.11 0.00 0.00 56.01 55.74 2ixl n LEU 10 Cb 0.50 -1.51 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 2ixl n LEU 10 CO 0.50 0.15 0.15 0.00 -1.11 0.00 0.00 177.39 177.07 2ixl s ALA 11 N 3.77 -0.92 0.07 1.96 0.00 -1.12 -4.99 121.76 120.53 2ixl s ALA 11 Ca 0.87 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2ixl s ALA 11 Cb -0.49 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2ixl s ALA 11 CO 0.42 -0.60 -0.14 0.00 0.00 0.00 0.00 175.76 175.43 2ixl s ALA 12 N -3.57 1.20 -0.04 0.00 0.00 -1.26 -1.22 121.76 116.87 2ixl s ALA 12 Ca 0.02 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 2ixl s ALA 12 Cb 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2ixl s ALA 12 CO -0.10 0.19 0.14 -0.98 0.00 0.00 0.00 175.76 175.01 2ixl s ARG 13 N -1.61 0.25 0.82 0.00 1.70 -0.33 -4.98 118.95 114.80 2ixl s ARG 13 Ca -0.01 0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.19 2ixl s ARG 13 Cb -0.10 0.11 0.08 0.00 -0.57 0.00 0.00 34.95 34.48 2ixl s ARG 13 CO 0.02 -0.04 1.09 -1.25 -1.08 0.00 0.00 175.30 174.04 2ixl s PRO 14 N -0.29 1.90 -0.33 3.89 0.04 -1.26 -0.78 135.00 138.17 2ixl s PRO 14 Ca -0.04 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 2ixl s PRO 14 Cb -0.03 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2ixl s PRO 14 CO 0.00 -1.81 0.15 0.08 0.04 0.00 0.00 177.00 175.46 2ixl s VAL 15 N -2.99 4.39 0.27 -0.36 1.01 -1.22 -4.83 120.40 116.67 2ixl s VAL 15 Ca 0.62 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2ixl s VAL 15 Cb -0.16 -3.32 0.27 0.00 0.00 0.00 0.00 36.38 33.16 2ixl s VAL 15 CO 0.56 -0.03 1.88 -0.33 0.00 0.00 0.00 175.10 177.17 2ixl h GLU 16 N 8.34 1.12 0.00 2.72 4.39 -1.96 -2.35 114.58 126.84 2ixl h GLU 16 Ca -0.30 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2ixl h GLU 16 Cb 1.13 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2ixl h GLU 16 CO 0.63 0.74 -0.16 0.00 -1.16 0.00 0.00 179.01 179.06 2ixl n ALA 17 N -2.36 2.68 -3.66 3.43 0.00 -1.26 -4.56 120.51 114.78 2ixl n ALA 17 Ca 0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2ixl n ALA 17 Cb 0.20 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 2ixl n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ixl s ILE 18 N -3.01 1.07 0.26 0.00 1.01 -0.88 -4.80 121.20 114.85 2ixl s ILE 18 Ca 0.13 -2.25 -0.30 0.00 0.00 0.00 0.00 60.65 58.23 2ixl s ILE 18 Cb 0.18 -1.76 -0.14 0.00 0.01 0.00 0.00 42.46 40.75 2ixl s ILE 18 CO 0.59 -0.89 1.26 -2.65 0.00 0.00 0.00 174.94 173.24 2ixl n PRO 19 N 3.79 1.77 0.00 2.79 -0.02 -1.26 -2.47 135.00 139.60 2ixl n PRO 19 Ca 0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2ixl n PRO 19 Cb 0.36 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.64 3.13 3.78 -1.23 0.00 -1.26 -4.90 105.19 106.34 2ixl n GLY 20 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2ixl n GLY 20 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ixl s MET 21 N -0.64 4.04 -0.01 1.61 -1.94 -1.03 -4.55 119.30 116.77 2ixl s MET 21 Ca 0.00 1.61 0.02 0.00 -1.71 0.00 0.00 55.69 55.62 2ixl s MET 21 Cb 0.00 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.32 2ixl s MET 21 CO 0.00 -0.27 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.15 2ixl s LEU 22 N -2.74 1.93 -0.16 -0.03 1.43 -0.97 -3.39 118.68 114.76 2ixl s LEU 22 Ca 0.59 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2ixl s LEU 22 Cb -0.25 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 2ixl s LEU 22 CO 0.30 0.08 -0.04 -0.70 0.23 0.00 0.00 176.35 176.23 2ixl s GLU 23 N -0.05 3.64 -0.06 1.70 2.12 0.04 -0.69 118.70 125.40 2ixl s GLU 23 Ca 0.01 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 54.83 2ixl s GLU 23 Cb -0.05 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 2ixl s GLU 23 CO -0.00 0.20 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.74 2ixl s PHE 24 N 0.46 2.76 -0.10 5.30 0.40 -0.34 -1.18 117.98 125.28 2ixl s PHE 24 Ca -0.04 -0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 55.90 2ixl s PHE 24 Cb -0.14 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2ixl s PHE 24 CO 0.03 0.19 0.74 -0.51 0.70 0.00 0.00 175.22 176.37 2ixl s ASP 25 N -0.66 6.96 -0.16 1.36 1.01 -0.36 -2.10 116.67 122.72 2ixl s ASP 25 Ca 0.10 1.17 -0.03 0.00 0.71 0.00 0.00 52.55 54.50 2ixl s ASP 25 Cb -0.11 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2ixl s ASP 25 CO 0.01 -0.21 -0.06 -0.63 0.21 0.00 0.00 175.17 174.48 2ixl s ILE 26 N 1.28 3.53 0.04 0.77 -1.09 -0.57 -2.78 121.20 122.38 2ixl s ILE 26 Ca 0.37 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 2ixl s ILE 26 Cb -0.17 -2.55 -0.07 0.00 -1.58 0.00 0.00 42.46 38.09 2ixl s ILE 26 CO 0.16 0.48 1.61 -2.84 -1.23 0.00 0.00 174.94 173.12 2ixl s PRO 27 N 0.65 4.21 -0.08 2.79 0.02 -1.25 -4.59 135.00 136.75 2ixl s PRO 27 Ca -0.04 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.26 2ixl s PRO 27 Cb -0.15 -3.65 0.01 0.00 0.02 0.00 0.00 34.50 30.73 2ixl s PRO 27 CO 0.02 -0.72 -0.18 0.08 -0.33 0.00 0.00 177.00 175.88 2ixl s VAL 28 N 2.78 1.55 -0.17 3.83 1.01 -1.26 -4.30 120.40 123.84 2ixl s VAL 28 Ca 0.72 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2ixl s VAL 28 Cb -0.37 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2ixl s VAL 28 CO 0.31 0.45 -0.18 -1.00 0.00 0.00 0.00 175.10 174.68 2ixl s HIS 29 N 0.47 2.78 0.14 5.22 3.76 -0.47 -1.45 115.29 125.74 2ixl s HIS 29 Ca -0.15 -1.42 0.06 0.00 -0.15 0.00 0.00 55.06 53.39 2ixl s HIS 29 Cb -0.16 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 2ixl s HIS 29 CO 0.06 -0.70 0.05 0.20 -0.85 0.00 0.00 174.74 173.50 2ixl s GLY 30 N 1.17 1.81 0.00 -2.22 0.00 -1.26 -1.49 107.32 105.32 2ixl s GLY 30 Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2ixl s GLY 30 CO -0.08 -1.22 0.00 2.09 0.00 0.00 0.00 173.10 173.89 2ixl n ASP 31 N 0.06 0.00 -0.07 1.64 5.68 -0.33 -5.00 116.55 118.54 2ixl n ASP 31 Ca -0.09 -0.79 0.16 0.00 -0.50 0.00 0.00 54.79 53.56 2ixl n ASP 31 Cb 0.54 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.10 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 0.22 1.33 -1.12 -1.07 -2.05 -2.35 115.58 110.54 2ixl h ASN 32 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2ixl h ASN 32 Cb 0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.21 2ixl h ASN 32 CO 0.00 0.12 -0.27 0.03 0.07 0.00 0.00 177.43 177.39 2ixl h ARG 33 N 0.24 0.00 0.00 4.14 3.08 -2.02 -3.50 114.38 116.32 2ixl h ARG 33 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2ixl h ARG 33 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2ixl h ARG 33 CO -0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.25 2ixl n GLY 34 N 1.28 0.50 3.46 0.04 0.00 -0.89 -5.14 105.19 104.45 2ixl n GLY 34 Ca 0.04 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.21 0.38 0.01 1.61 1.48 -1.26 -1.18 118.94 117.77 2ixl s TRP 35 Ca 0.00 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 2ixl s TRP 35 Cb 0.00 0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.37 2ixl s TRP 35 CO 0.00 -0.86 -0.03 0.12 -4.06 0.00 0.00 176.95 172.11 2ixl s PHE 36 N -4.00 0.29 -0.03 1.66 5.36 -0.56 -4.99 117.98 115.73 2ixl s PHE 36 Ca 0.20 -0.21 -0.06 0.00 -0.96 0.00 0.00 56.93 55.90 2ixl s PHE 36 Cb 0.01 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.51 2ixl s PHE 36 CO 0.05 -0.05 0.15 -1.59 -1.46 0.00 0.00 175.22 172.31 2ixl s LYS 37 N -0.58 0.35 -0.73 10.12 -2.85 -1.26 -1.37 119.74 123.42 2ixl s LYS 37 Ca -0.04 -0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.53 2ixl s LYS 37 Cb -0.04 0.15 0.03 0.00 -2.06 0.00 0.00 37.83 35.91 2ixl s LYS 37 CO -0.00 -0.07 1.32 -1.21 0.10 0.00 0.00 175.35 175.48 2ixl s GLU 38 N -0.72 3.16 0.17 1.78 2.02 -1.26 -4.90 118.70 118.95 2ixl s GLU 38 Ca -0.08 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2ixl s GLU 38 Cb -0.05 -4.19 0.06 0.00 0.10 0.00 0.00 34.13 30.06 2ixl s GLU 38 CO 0.01 -2.17 1.47 -0.97 0.02 0.00 0.00 175.26 173.62 2ixl h ASN 39 N 10.35 0.69 -3.55 -0.19 -0.73 -1.98 -3.44 115.58 116.74 2ixl h ASN 39 Ca -0.28 -0.38 -0.25 0.00 1.87 0.00 0.00 56.30 57.27 2ixl h ASN 39 Cb 1.06 -0.20 -0.31 0.00 0.27 0.00 0.00 38.32 39.14 2ixl h ASN 39 CO 1.27 1.11 -0.64 0.12 -0.37 0.00 0.00 177.43 178.92 2ixl s PHE 40 N -3.99 -0.09 -0.22 0.67 5.36 -1.26 -5.05 117.98 113.41 2ixl s PHE 40 Ca -0.08 0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 56.15 2ixl s PHE 40 Cb 0.11 -0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.77 2ixl s PHE 40 CO 0.85 -0.11 0.10 -1.14 -1.46 0.00 0.00 175.22 173.47 2ixl s GLN 41 N 0.82 0.14 0.15 10.12 -0.44 -1.26 -5.06 119.66 124.13 2ixl s GLN 41 Ca -0.06 -0.27 -0.17 0.00 -2.50 0.00 0.00 55.36 52.35 2ixl s GLN 41 Cb -0.09 -1.59 0.04 0.00 -1.64 0.00 0.00 33.01 29.73 2ixl s GLN 41 CO -0.03 -0.81 1.76 -0.22 0.50 0.00 0.00 175.29 176.49 2ixl h LYS 42 N 8.41 0.28 -0.63 1.67 3.64 -2.00 -1.32 116.57 126.63 2ixl h LYS 42 Ca -0.17 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2ixl h LYS 42 Cb 1.09 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2ixl h LYS 42 CO 0.35 0.19 0.28 1.49 -2.27 0.00 0.00 179.45 179.49 2ixl h GLU 43 N 0.29 0.89 0.00 1.90 4.81 -2.02 -2.34 114.58 118.11 2ixl h GLU 43 Ca 0.15 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 2ixl h GLU 43 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2ixl h GLU 43 CO -0.13 0.70 -0.76 0.87 -0.73 0.00 0.00 179.01 178.96 2ixl h LYS 44 N 0.89 0.00 0.12 1.92 1.57 -1.92 -3.38 116.57 115.77 2ixl h LYS 44 Ca 0.22 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.71 2ixl h LYS 44 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2ixl h LYS 44 CO -0.03 0.76 -1.38 0.52 -0.57 0.00 0.00 179.45 178.75 2ixl h MET 45 N 0.00 0.26 -0.36 3.15 2.86 -0.88 -3.37 114.93 116.59 2ixl h MET 45 Ca -0.01 -0.44 0.06 0.00 -2.06 0.00 0.00 59.70 57.26 2ixl h MET 45 Cb 1.55 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 33.32 2ixl h MET 45 CO 0.10 1.16 0.00 -0.07 1.06 0.00 0.00 176.91 179.16 2ixl h LEU 46 N 0.07 -0.15 -2.58 1.22 3.38 -1.60 -1.90 115.31 113.75 2ixl h LEU 46 Ca -0.19 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ixl h LEU 46 Cb 1.99 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.89 2ixl h LEU 46 CO 0.18 -0.04 0.00 -0.65 0.09 0.00 0.00 178.44 178.03 2ixl h PRO 47 N 0.10 0.00 -0.01 1.13 0.11 -1.77 -1.66 132.00 129.90 2ixl h PRO 47 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2ixl h PRO 47 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ixl h PRO 47 CO -0.29 0.00 -0.01 1.28 -0.21 0.00 0.00 178.00 178.77 2ixl n LEU 48 N -3.07 1.35 0.00 2.35 4.77 -0.75 -4.93 117.00 116.72 2ixl n LEU 48 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2ixl n LEU 48 Cb 0.13 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2ixl n LEU 48 CO 0.22 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2ixl n GLY 49 N 1.16 0.74 3.67 -0.72 0.00 -0.62 -4.77 105.19 104.64 2ixl n GLY 49 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2ixl n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ixl s PHE 50 N -2.00 1.47 0.21 1.61 5.36 -1.02 -4.88 117.98 118.73 2ixl s PHE 50 Ca 0.00 -0.35 -0.30 0.00 -0.96 0.00 0.00 56.93 55.32 2ixl s PHE 50 Cb 0.00 -4.22 -0.09 0.00 -0.34 0.00 0.00 43.02 38.37 2ixl s PHE 50 CO 0.00 -5.37 1.35 -1.25 -1.46 0.00 0.00 175.22 168.50 2ixl s PRO 51 N 4.13 4.35 0.50 10.12 0.04 -1.26 -4.45 135.00 148.42 2ixl s PRO 51 Ca 0.86 2.13 0.16 0.00 0.04 0.00 0.00 61.00 64.20 2ixl s PRO 51 Cb -0.43 -3.17 1.21 0.00 0.04 0.00 0.00 34.50 32.15 2ixl s PRO 51 CO 0.40 -0.31 2.09 0.93 0.04 0.00 0.00 177.00 180.14 2ixl h GLU 52 N 5.37 0.12 -0.01 4.56 5.08 -1.94 -2.30 114.58 125.47 2ixl h GLU 52 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2ixl h GLU 52 Cb 1.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ixl h GLU 52 CO 0.78 0.08 0.04 0.66 -1.00 0.00 0.00 179.01 179.57 2ixl h SER 53 N 0.13 0.00 -0.50 1.42 4.64 -2.01 -1.53 113.55 115.70 2ixl h SER 53 Ca 0.10 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2ixl h SER 53 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2ixl h SER 53 CO -0.01 0.00 0.33 0.15 -0.87 0.00 0.00 176.83 176.43 2ixl h PHE 54 N 0.00 0.52 -0.02 4.77 3.57 -1.80 -2.84 116.94 121.13 2ixl h PHE 54 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2ixl h PHE 54 Cb 0.09 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2ixl h PHE 54 CO 0.00 0.30 -0.10 1.19 -2.23 0.00 0.00 178.31 177.47 2ixl n PHE 55 N -4.47 0.00 -0.31 0.41 3.01 -0.58 -4.65 117.46 110.87 2ixl n PHE 55 Ca 0.06 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.57 2ixl n PHE 55 Cb 0.17 -0.01 0.25 0.00 -0.01 0.00 0.00 39.48 39.87 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 4.39 1.53 -0.02 4.37 0.00 -1.56 -2.38 119.26 125.60 2ixl h ALA 56 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ixl h ALA 56 Cb 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ixl h ALA 56 CO 0.00 0.31 -0.33 0.39 0.00 0.00 0.00 179.25 179.61 2ixl n GLU 57 N -4.51 1.37 -1.33 0.00 1.02 -1.26 -4.97 120.64 110.95 2ixl n GLU 57 Ca 0.15 -1.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.11 2ixl n GLU 57 Cb 0.24 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.38 1.14 3.82 0.62 0.00 -0.90 -5.02 105.19 106.23 2ixl n GLY 58 Ca 0.11 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.93 3.78 -0.15 1.61 1.02 -1.26 -5.09 119.74 116.72 2ixl s LYS 59 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 2ixl s LYS 59 Cb 0.00 -3.27 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 2ixl s LYS 59 CO 0.00 0.59 0.36 -1.17 -0.92 0.00 0.00 175.35 174.21 2ixl s LEU 60 N -0.55 0.22 -0.08 3.17 2.96 -1.26 -4.40 118.68 118.73 2ixl s LEU 60 Ca 0.15 0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 54.76 2ixl s LEU 60 Cb -0.13 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.77 2ixl s LEU 60 CO 0.05 -0.17 0.21 -1.58 -1.32 0.00 0.00 176.35 173.54 2ixl s GLN 61 N 1.03 0.23 -0.23 1.98 0.74 -0.85 -5.01 119.66 117.55 2ixl s GLN 61 Ca -0.07 0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.67 2ixl s GLN 61 Cb -0.07 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.11 2ixl s GLN 61 CO -0.08 -0.06 -0.09 1.21 -0.55 0.00 0.00 175.29 175.72 2ixl s ASN 62 N 0.40 4.11 0.05 6.67 2.47 -1.26 -1.03 114.94 126.35 2ixl s ASN 62 Ca -0.02 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.47 2ixl s ASN 62 Cb -0.04 -1.64 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 2ixl s ASN 62 CO -0.02 -0.09 0.14 0.20 -3.72 0.00 0.00 177.10 173.61 2ixl s ASN 63 N 1.33 6.00 -0.05 -4.21 0.01 -0.38 -4.96 114.94 112.67 2ixl s ASN 63 Ca 0.01 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 2ixl s ASN 63 Cb -0.16 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.76 2ixl s ASN 63 CO -0.06 0.20 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.00 2ixl s VAL 64 N -1.40 0.54 0.02 1.60 1.01 -1.26 -1.22 120.40 119.70 2ixl s VAL 64 Ca 0.30 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2ixl s VAL 64 Cb -0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2ixl s VAL 64 CO 0.23 0.24 -0.15 -0.94 0.00 0.00 0.00 175.10 174.47 2ixl s SER 65 N 1.09 4.02 -0.15 3.32 1.04 -0.29 -4.98 113.70 117.74 2ixl s SER 65 Ca -0.08 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 2ixl s SER 65 Cb -0.14 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 2ixl s SER 65 CO -0.01 0.28 -0.14 0.12 0.98 0.00 0.00 173.24 174.47 2ixl s PHE 66 N -0.91 2.80 0.03 5.02 5.36 -1.26 -0.97 117.98 128.04 2ixl s PHE 66 Ca 0.15 -0.94 0.01 0.00 -0.96 0.00 0.00 56.93 55.19 2ixl s PHE 66 Cb -0.11 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2ixl s PHE 66 CO 0.05 -0.42 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.23 2ixl s SER 67 N 0.75 0.39 0.43 6.13 0.01 -0.77 -4.99 113.70 115.65 2ixl s SER 67 Ca -0.06 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2ixl s SER 67 Cb -0.15 0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 2ixl s SER 67 CO 0.01 -0.28 0.62 -0.13 0.41 0.00 0.00 173.24 173.88 2ixl s ARG 68 N -1.49 3.04 0.12 12.44 0.52 -1.26 -1.03 118.95 131.29 2ixl s ARG 68 Ca -0.14 -0.65 -0.34 0.00 -0.52 0.00 0.00 55.73 54.08 2ixl s ARG 68 Cb -0.10 -2.62 -0.18 0.00 0.52 0.00 0.00 34.95 32.57 2ixl s ARG 68 CO -0.01 -0.21 0.92 1.17 0.02 0.00 0.00 175.30 177.19 2ixl n LYS 69 N -1.98 0.37 -0.19 3.54 4.81 -0.32 -1.61 118.16 122.78 2ixl n LYS 69 Ca 0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2ixl n LYS 69 Cb 0.58 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.16 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 1.81 0.00 -4.76 3.14 3.02 -0.72 -4.92 115.26 112.83 2ixl n ASN 70 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 2ixl n ASN 70 Cb 0.19 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 2ixl n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ixl s VAL 71 N -2.93 2.12 -0.09 2.41 1.01 -0.63 -1.95 120.40 120.33 2ixl s VAL 71 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2ixl s VAL 71 Cb 0.00 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ixl s VAL 71 CO 0.00 0.02 -0.07 -0.22 0.00 0.00 0.00 175.10 174.83 2ixl s LEU 72 N -1.20 1.23 -0.12 3.92 0.20 -0.75 -1.13 118.68 120.82 2ixl s LEU 72 Ca 0.58 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.17 2ixl s LEU 72 Cb -0.47 -0.75 0.00 0.00 -0.43 0.00 0.00 46.19 44.54 2ixl s LEU 72 CO 0.54 -0.09 -0.22 -0.13 -0.29 0.00 0.00 176.35 176.17 2ixl s ARG 73 N 1.43 3.08 0.00 1.98 0.52 -0.58 -4.49 118.95 120.89 2ixl s ARG 73 Ca -0.01 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2ixl s ARG 73 Cb -0.13 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.94 2ixl s ARG 73 CO -0.05 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2ixl n GLY 74 N 3.74 0.57 3.59 -3.53 0.00 -1.26 -1.05 105.19 107.24 2ixl n GLY 74 Ca -0.19 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 3.80 -0.10 0.99 2.01 -0.98 -4.32 118.68 120.09 2ixl s LEU 75 Ca 0.00 0.00 0.03 0.00 0.01 0.00 0.00 54.13 54.17 2ixl s LEU 75 Cb 0.00 -2.00 0.01 0.00 0.01 0.00 0.00 46.19 44.21 2ixl s LEU 75 CO 0.00 0.07 -0.20 -1.00 1.01 0.00 0.00 176.35 176.23 2ixl s HIS 76 N 1.00 2.22 -0.56 0.29 3.76 -0.52 -1.44 115.29 120.05 2ixl s HIS 76 Ca 0.05 -0.93 0.06 0.00 -0.15 0.00 0.00 55.06 54.09 2ixl s HIS 76 Cb -0.14 -1.52 0.31 0.00 1.11 0.00 0.00 32.58 32.34 2ixl s HIS 76 CO 0.03 -0.41 0.84 0.00 -0.85 0.00 0.00 174.74 174.35 2ixl n ALA 77 N 3.73 4.02 -1.30 -1.40 0.00 0.57 -1.09 120.51 125.04 2ixl n ALA 77 Ca -0.20 -4.47 -0.34 0.00 0.00 0.00 0.00 53.44 48.43 2ixl n ALA 77 Cb 0.52 -0.81 0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.91 2.07 -1.25 0.00 8.01 -1.26 -3.45 118.70 119.91 2ixl s GLU 78 Ca 0.44 1.70 -0.08 0.00 0.01 0.00 0.00 54.97 57.04 2ixl s GLU 78 Cb 0.24 -1.83 -0.10 0.00 -4.31 0.00 0.00 34.13 28.14 2ixl s GLU 78 CO -0.09 -1.88 2.79 -0.35 0.01 0.00 0.00 175.26 175.74 2ixl n PRO 79 N -2.87 3.06 -3.75 0.39 -0.04 -1.26 -4.43 135.00 126.10 2ixl n PRO 79 Ca 0.13 -1.85 -0.09 0.00 -0.04 0.00 0.00 63.50 61.65 2ixl n PRO 79 Cb 0.51 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.37 -0.24 0.41 0.54 -2.14 -1.26 -4.90 118.94 113.71 2ixl s TRP 80 Ca 0.61 -0.15 -0.11 0.00 2.66 0.00 0.00 56.10 59.11 2ixl s TRP 80 Cb 0.17 0.61 -0.07 0.00 -3.10 0.00 0.00 33.47 31.09 2ixl s TRP 80 CO -0.05 -1.10 0.78 -0.51 -2.66 0.00 0.00 176.95 173.41 2ixl s ASP 81 N -2.88 6.53 -0.01 -2.66 1.01 -1.26 -3.78 116.67 113.62 2ixl s ASP 81 Ca 0.09 1.16 0.02 0.00 0.71 0.00 0.00 52.55 54.52 2ixl s ASP 81 Cb -0.04 -2.33 -0.00 0.00 1.01 0.00 0.00 42.92 41.56 2ixl s ASP 81 CO 0.01 -0.40 -0.05 -0.54 0.21 0.00 0.00 175.17 174.40 2ixl s LYS 82 N -3.84 0.49 -0.26 8.23 1.02 -0.74 -3.43 119.74 121.21 2ixl s LYS 82 Ca 0.52 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.31 2ixl s LYS 82 Cb -0.10 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.76 2ixl s LYS 82 CO 0.31 0.10 -0.06 -0.47 -0.92 0.00 0.00 175.35 174.31 2ixl s TYR 83 N -0.00 3.13 -0.10 3.18 5.04 0.04 -0.64 117.35 127.99 2ixl s TYR 83 Ca 0.01 -1.77 -0.01 0.00 -2.44 0.00 0.00 57.07 52.86 2ixl s TYR 83 Cb -0.04 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 2ixl s TYR 83 CO -0.00 -0.78 -0.05 0.42 -1.34 0.00 0.00 175.55 173.80 2ixl s ILE 84 N 1.27 3.79 0.36 3.14 1.01 -0.15 -1.19 121.20 129.44 2ixl s ILE 84 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 2ixl s ILE 84 Cb -0.18 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2ixl s ILE 84 CO -0.04 0.56 0.60 -0.55 0.00 0.00 0.00 174.94 175.50 2ixl s SER 85 N -0.34 0.62 -0.14 3.58 0.15 -0.71 -1.44 113.70 115.43 2ixl s SER 85 Ca 0.05 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.30 2ixl s SER 85 Cb -0.12 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2ixl s SER 85 CO 0.02 -1.45 -0.05 -0.69 1.20 0.00 0.00 173.24 172.26 2ixl s VAL 86 N -2.73 3.76 -1.07 4.45 1.01 -1.26 -1.30 120.40 123.26 2ixl s VAL 86 Ca 0.25 -0.41 0.21 0.00 0.00 0.00 0.00 61.98 62.03 2ixl s VAL 86 Cb -0.02 -2.62 -0.21 0.00 0.00 0.00 0.00 36.38 33.53 2ixl s VAL 86 CO 0.17 0.52 0.93 0.00 0.00 0.00 0.00 175.10 176.72 2ixl n ALA 87 N 3.28 4.66 -3.00 5.51 0.00 0.07 -4.22 120.51 126.82 2ixl n ALA 87 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2ixl n ALA 87 Cb 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.40 1.26 -0.56 0.00 5.75 -1.26 -5.00 116.55 115.35 2ixl n ASP 88 Ca 0.04 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.85 2ixl n ASP 88 Cb 0.34 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.53 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 4.11 0.62 2.56 6.12 0.00 -1.26 -4.45 105.19 112.88 2ixl n GLY 89 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 0.63 -0.57 3.26 -0.02 0.00 -1.26 -4.99 105.19 102.24 2ixl n GLY 90 Ca 0.07 -1.82 -0.12 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 -4.63 0.40 0.13 1.61 2.20 -1.26 -4.39 119.74 113.79 2ixl s LYS 91 Ca 0.47 0.67 0.06 0.00 -0.36 0.00 0.00 55.97 56.82 2ixl s LYS 91 Cb -0.02 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 2ixl s LYS 91 CO 0.33 -0.12 -0.14 0.14 -0.36 0.00 0.00 175.35 175.19 2ixl s VAL 92 N 0.94 1.36 -0.56 4.02 -7.23 -0.63 -1.33 120.40 116.97 2ixl s VAL 92 Ca -0.06 -1.74 -0.24 0.00 -1.81 0.00 0.00 61.98 58.13 2ixl s VAL 92 Cb -0.06 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.36 2ixl s VAL 92 CO -0.07 -0.41 0.93 -0.22 -0.31 0.00 0.00 175.10 175.01 2ixl s LEU 93 N -2.48 4.17 0.31 1.32 2.96 0.04 -0.96 118.68 124.04 2ixl s LEU 93 Ca 0.10 -0.45 -0.27 0.00 -0.22 0.00 0.00 54.13 53.28 2ixl s LEU 93 Cb -0.05 -2.76 -0.09 0.00 0.50 0.00 0.00 46.19 43.79 2ixl s LEU 93 CO 0.03 -1.24 1.00 -0.83 -1.32 0.00 0.00 176.35 174.00 2ixl s GLY 94 N 2.93 2.93 -0.04 7.98 0.00 0.53 -1.72 107.32 119.94 2ixl s GLY 94 Ca 0.29 0.68 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 2ixl s GLY 94 CO 0.18 1.18 0.09 -1.59 0.00 0.00 0.00 173.10 172.96 2ixl s THR 95 N -1.41 -0.02 -0.00 0.90 2.01 -0.66 -1.85 115.64 114.61 2ixl s THR 95 Ca 0.48 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2ixl s THR 95 Cb -0.24 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.12 2ixl s THR 95 CO 0.31 0.03 -0.04 0.26 -0.69 0.00 0.00 174.62 174.49 2ixl s TRP 96 N 0.43 0.36 -0.08 4.92 0.51 -0.58 -1.40 118.94 123.09 2ixl s TRP 96 Ca -0.03 -0.08 -0.00 0.00 -2.12 0.00 0.00 56.10 53.87 2ixl s TRP 96 Cb -0.05 -0.23 0.02 0.00 -0.81 0.00 0.00 33.47 32.41 2ixl s TRP 96 CO -0.02 -0.01 -0.05 0.08 -0.51 0.00 0.00 176.95 176.44 2ixl s VAL 97 N -0.14 0.76 -0.13 4.03 1.01 -0.87 -2.30 120.40 122.75 2ixl s VAL 97 Ca 0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2ixl s VAL 97 Cb -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2ixl s VAL 97 CO -0.00 0.31 1.35 -0.62 0.00 0.00 0.00 175.10 176.14 2ixl s ASP 98 N 1.54 6.88 -0.03 3.32 -1.08 -0.30 -0.75 116.67 126.26 2ixl s ASP 98 Ca 0.00 1.83 0.16 0.00 -0.52 0.00 0.00 52.55 54.02 2ixl s ASP 98 Cb -0.13 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 2ixl s ASP 98 CO -0.05 -0.80 1.40 0.18 0.52 0.00 0.00 175.17 176.43 2ixl n LEU 99 N 6.68 3.55 -4.73 -1.34 4.77 -0.44 -0.35 117.00 125.14 2ixl n LEU 99 Ca 0.15 -2.13 -0.41 0.00 -0.03 0.00 0.00 56.01 53.59 2ixl n LEU 99 Cb 0.44 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2ixl n LEU 99 CO 0.57 0.82 0.65 -0.13 -1.33 0.00 0.00 177.39 177.97 2ixl s ARG 100 N -1.24 4.68 0.17 3.23 0.52 -1.20 -1.14 118.95 123.98 2ixl s ARG 100 Ca 0.36 1.41 -0.33 0.00 -0.52 0.00 0.00 55.73 56.65 2ixl s ARG 100 Cb 0.20 -3.38 -0.14 0.00 0.52 0.00 0.00 34.95 32.16 2ixl s ARG 100 CO 0.22 0.21 1.53 -1.91 0.02 0.00 0.00 175.30 175.37 2ixl n GLU 101 N 2.82 2.08 0.00 3.54 2.13 -0.08 -3.66 120.64 127.46 2ixl n GLU 101 Ca 0.02 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2ixl n GLU 101 Cb 0.49 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 3.11 0.78 0.30 8.31 0.00 -1.26 -4.89 105.19 111.54 2ixl n GLY 102 Ca 0.16 -2.03 0.20 0.00 0.00 0.00 0.00 46.02 44.35 2ixl n GLY 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ixl h GLU 103 N 4.90 0.00 -0.26 1.61 4.11 -2.04 -2.45 114.58 120.44 2ixl h GLU 103 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ixl h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ixl h GLU 103 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 2ixl n THR 104 N -3.00 0.41 -1.68 -1.06 -2.24 -1.26 -4.96 114.28 100.50 2ixl n THR 104 Ca -0.02 -0.71 -0.46 0.00 -2.27 0.00 0.00 64.05 60.59 2ixl n THR 104 Cb 0.15 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.14 2.36 -0.40 4.78 7.35 -0.93 -1.13 117.46 130.63 2ixl n PHE 105 Ca 0.15 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2ixl n PHE 105 Cb 0.51 -2.64 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 4.03 1.31 3.73 7.13 0.00 0.52 -5.01 105.19 116.90 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 -3.14 4.66 0.09 1.61 -0.87 -0.29 -4.70 114.94 112.32 2ixl s ASN 107 Ca 0.00 2.59 0.04 0.00 -1.57 0.00 0.00 52.86 53.92 2ixl s ASN 107 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 2ixl s ASN 107 CO 0.00 -1.96 -0.10 0.42 -2.57 0.00 0.00 177.10 172.88 2ixl s THR 108 N -1.42 0.93 -0.04 1.60 -4.23 -1.26 -1.15 115.64 110.07 2ixl s THR 108 Ca 0.82 -1.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 2ixl s THR 108 Cb -0.37 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.17 2ixl s THR 108 CO 0.39 -0.54 0.24 -0.47 -0.54 0.00 0.00 174.62 173.70 2ixl s TYR 109 N -2.36 -0.15 0.01 3.99 5.04 -0.97 -4.94 117.35 117.97 2ixl s TYR 109 Ca 0.05 0.31 0.01 0.00 -2.44 0.00 0.00 57.07 55.00 2ixl s TYR 109 Cb -0.03 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 2ixl s TYR 109 CO 0.00 -0.26 -0.05 -0.65 -1.34 0.00 0.00 175.55 173.25 2ixl s GLN 110 N -0.79 0.38 0.09 4.97 -0.21 -1.26 -1.52 119.66 121.32 2ixl s GLN 110 Ca -0.09 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.67 2ixl s GLN 110 Cb -0.05 -0.25 0.06 0.00 1.00 0.00 0.00 33.01 33.78 2ixl s GLN 110 CO 0.02 0.06 0.58 -0.08 -2.12 0.00 0.00 175.29 173.75 2ixl s THR 111 N -0.64 0.01 0.02 -0.19 -1.32 -0.77 -5.01 115.64 107.75 2ixl s THR 111 Ca -0.04 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.11 2ixl s THR 111 Cb -0.05 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2ixl s THR 111 CO -0.00 -0.05 0.72 -0.69 -2.21 0.00 0.00 174.62 172.38 2ixl s VAL 112 N -3.00 4.80 -0.13 5.08 1.01 -1.26 -0.35 120.40 126.55 2ixl s VAL 112 Ca -0.02 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.49 2ixl s VAL 112 Cb -0.00 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2ixl s VAL 112 CO -0.06 0.37 -0.17 -0.63 0.00 0.00 0.00 175.10 174.60 2ixl s ILE 113 N -0.01 2.59 0.04 2.22 1.01 -0.13 -4.92 121.20 121.99 2ixl s ILE 113 Ca 0.37 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2ixl s ILE 113 Cb -0.20 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2ixl s ILE 113 CO 0.21 0.53 0.01 -0.90 0.00 0.00 0.00 174.94 174.79 2ixl n ASP 114 N 3.77 1.40 0.12 3.58 5.68 -1.26 -1.60 116.55 128.24 2ixl n ASP 114 Ca -0.19 -1.18 0.10 0.00 -0.50 0.00 0.00 54.79 53.02 2ixl n ASP 114 Cb 0.52 0.06 0.47 0.00 -1.14 0.00 0.00 41.12 41.04 2ixl n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ixl n ALA 115 N -2.85 1.23 0.74 2.12 0.00 -1.26 -1.93 120.51 118.56 2ixl n ALA 115 Ca -0.01 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2ixl n ALA 115 Cb 0.05 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.49 2ixl n ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ixl n SER 116 N -2.11 2.65 -3.97 0.00 3.41 -1.26 -4.83 113.62 107.51 2ixl n SER 116 Ca -0.00 -1.88 -0.15 0.00 -0.26 0.00 0.00 58.87 56.58 2ixl n SER 116 Cb 0.09 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.64 0.44 0.21 4.33 2.20 -0.81 -1.52 119.74 122.95 2ixl s LYS 117 Ca 0.35 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 2ixl s LYS 117 Cb 0.20 -0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2ixl s LYS 117 CO 0.29 0.10 0.02 -1.54 -0.36 0.00 0.00 175.35 173.87 2ixl s SER 118 N -0.31 1.35 -0.02 1.43 1.04 -0.89 -4.49 113.70 111.80 2ixl s SER 118 Ca 0.00 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.20 2ixl s SER 118 Cb -0.03 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.21 2ixl s SER 118 CO -0.00 -0.60 -0.01 -0.63 0.98 0.00 0.00 173.24 172.98 2ixl s ILE 119 N -3.62 0.21 -0.21 -1.02 -1.09 -0.52 -1.20 121.20 113.74 2ixl s ILE 119 Ca 0.28 0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.57 2ixl s ILE 119 Cb 0.06 -0.27 -0.04 0.00 -1.58 0.00 0.00 42.46 40.64 2ixl s ILE 119 CO 0.07 0.13 0.39 0.12 -1.23 0.00 0.00 174.94 174.42 2ixl s PHE 120 N 0.76 3.36 -0.29 3.97 5.36 0.13 -0.98 117.98 130.29 2ixl s PHE 120 Ca -0.08 0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 56.45 2ixl s PHE 120 Cb -0.11 -2.53 0.04 0.00 -0.34 0.00 0.00 43.02 40.08 2ixl s PHE 120 CO -0.01 -0.03 0.00 0.08 -1.46 0.00 0.00 175.22 173.80 2ixl s VAL 121 N 1.39 3.14 0.49 3.12 1.01 0.18 -2.29 120.40 127.45 2ixl s VAL 121 Ca 0.18 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 2ixl s VAL 121 Cb -0.15 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 2ixl s VAL 121 CO 0.08 -0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.10 2ixl s PRO 122 N 1.31 3.68 0.17 2.72 0.04 -1.26 -1.80 135.00 139.86 2ixl s PRO 122 Ca -0.03 1.54 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 2ixl s PRO 122 Cb -0.19 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.03 2ixl s PRO 122 CO -0.01 -0.57 1.29 2.89 0.04 0.00 0.00 177.00 180.64 2ixl n ARG 123 N -0.89 1.45 0.00 4.56 1.85 -1.25 -2.30 116.66 120.09 2ixl n ARG 123 Ca 0.09 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 2ixl n ARG 123 Cb 0.51 -2.11 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 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 2.26 1.10 3.50 2.89 0.00 -1.26 -5.01 105.19 108.67 2ixl n GLY 124 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.19 5.00 0.26 1.61 1.01 -0.97 -1.33 120.40 123.79 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 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2ixl s VAL 125 CO 0.00 0.05 1.40 0.00 0.00 0.00 0.00 175.10 176.55 2ixl s ALA 126 N 1.68 3.59 -0.04 5.51 0.00 0.07 -4.71 121.76 127.87 2ixl s ALA 126 Ca 0.06 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.33 2ixl s ALA 126 Cb -0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2ixl s ALA 126 CO 0.09 -0.70 -0.07 1.21 0.00 0.00 0.00 175.76 176.28 2ixl s ASN 127 N 0.21 4.58 0.27 0.00 2.47 -0.25 -2.06 114.94 120.16 2ixl s ASN 127 Ca 0.57 -0.09 -0.21 0.00 0.42 0.00 0.00 52.86 53.55 2ixl s ASN 127 Cb -0.41 -1.10 0.04 0.00 -1.45 0.00 0.00 41.25 38.33 2ixl s ASN 127 CO 0.45 0.33 0.79 -0.83 -3.72 0.00 0.00 177.10 174.11 2ixl s GLY 128 N -1.07 -0.02 0.08 1.21 0.00 -0.49 -1.44 107.32 105.60 2ixl s GLY 128 Ca 0.14 -0.32 -0.26 0.00 0.00 0.00 0.00 44.72 44.29 2ixl s GLY 128 CO 0.04 -0.01 0.66 -0.11 0.00 0.00 0.00 173.10 173.68 2ixl s PHE 129 N -3.44 -0.54 -0.04 1.90 -0.12 -0.22 -1.65 117.98 113.87 2ixl s PHE 129 Ca 0.12 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.56 2ixl s PHE 129 Cb -0.05 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 2ixl s PHE 129 CO 0.07 -0.75 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.15 2ixl s GLN 130 N -3.03 1.91 -0.06 1.99 0.74 -0.70 -1.53 119.66 118.98 2ixl s GLN 130 Ca -0.01 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 2ixl s GLN 130 Cb -0.01 -1.70 -0.02 0.00 1.10 0.00 0.00 33.01 32.38 2ixl s GLN 130 CO -0.07 0.34 0.99 0.08 -0.55 0.00 0.00 175.29 176.08 2ixl s VAL 131 N -0.17 4.82 -0.20 1.34 1.01 -0.29 -0.78 120.40 126.13 2ixl s VAL 131 Ca -0.00 2.04 0.12 0.00 0.00 0.00 0.00 61.98 64.14 2ixl s VAL 131 Cb -0.11 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.73 2ixl s VAL 131 CO 0.02 0.07 0.05 0.18 0.00 0.00 0.00 175.10 175.41 2ixl n LEU 132 N 4.55 1.03 -4.92 3.92 4.77 -0.44 -1.75 117.00 124.16 2ixl n LEU 132 Ca 0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2ixl n LEU 132 Cb 0.50 0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.72 2ixl n LEU 132 CO 0.52 0.63 0.81 -0.94 -1.33 0.00 0.00 177.39 177.08 2ixl s SER 133 N -5.90 3.98 0.31 -1.43 1.04 -1.12 -4.90 113.70 105.68 2ixl s SER 133 Ca -0.17 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2ixl s SER 133 Cb 0.07 -0.86 0.52 0.00 0.10 0.00 0.00 66.02 65.84 2ixl s SER 133 CO 0.76 -2.21 1.94 0.44 0.98 0.00 0.00 173.24 175.15 2ixl h ASP 134 N -1.25 0.90 -5.14 7.02 3.32 -1.94 -3.20 116.42 116.14 2ixl h ASP 134 Ca -0.45 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2ixl h ASP 134 Cb 1.29 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 2ixl h ASP 134 CO 0.54 0.61 0.01 0.72 -1.72 0.00 0.00 179.24 179.40 2ixl s PHE 135 N -5.90 0.11 -0.08 4.55 -0.12 -1.26 -1.17 117.98 114.10 2ixl s PHE 135 Ca -0.11 -0.50 -0.20 0.00 -0.05 0.00 0.00 56.93 56.07 2ixl s PHE 135 Cb 0.19 0.38 0.04 0.00 -0.63 0.00 0.00 43.02 43.01 2ixl s PHE 135 CO 0.79 -1.05 0.48 0.54 -0.05 0.00 0.00 175.22 175.93 2ixl s VAL 136 N -3.96 0.02 -0.32 -2.49 0.11 -0.20 -4.33 120.40 109.22 2ixl s VAL 136 Ca 0.16 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 2ixl s VAL 136 Cb -0.02 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2ixl s VAL 136 CO 0.06 -0.10 0.12 0.00 -3.33 0.00 0.00 175.10 171.85 2ixl s ALA 137 N -0.74 3.12 -0.31 1.54 0.00 -1.26 -1.85 121.76 122.26 2ixl s ALA 137 Ca -0.08 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.21 2ixl s ALA 137 Cb -0.03 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2ixl s ALA 137 CO 0.05 -1.13 0.12 -0.47 0.00 0.00 0.00 175.76 174.33 2ixl s TYR 138 N 1.49 3.17 -0.09 0.00 5.04 -0.15 -0.75 117.35 126.06 2ixl s TYR 138 Ca 0.01 -0.79 0.04 0.00 -2.44 0.00 0.00 57.07 53.89 2ixl s TYR 138 Cb -0.18 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.82 2ixl s TYR 138 CO 0.04 -0.52 -0.21 0.45 -1.34 0.00 0.00 175.55 173.96 2ixl s SER 139 N 1.55 2.79 0.03 4.32 0.15 -0.42 -1.14 113.70 120.99 2ixl s SER 139 Ca 0.03 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.17 2ixl s SER 139 Cb -0.17 -1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 2ixl s SER 139 CO 0.04 0.14 0.01 -0.72 1.20 0.00 0.00 173.24 173.92 2ixl s TYR 140 N 0.36 0.28 -0.13 3.44 -0.85 -0.36 -1.74 117.35 118.35 2ixl s TYR 140 Ca -0.17 -0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 55.77 2ixl s TYR 140 Cb -0.17 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 41.94 2ixl s TYR 140 CO 0.07 -0.27 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.29 2ixl s LEU 141 N -1.86 3.28 0.15 -3.49 1.43 -0.33 -1.25 118.68 116.61 2ixl s LEU 141 Ca -0.09 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2ixl s LEU 141 Cb -0.05 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2ixl s LEU 141 CO -0.03 0.24 -0.04 0.68 0.23 0.00 0.00 176.35 177.43 2ixl s VAL 142 N -0.05 0.78 -0.16 -1.59 -7.23 -0.19 -0.78 120.40 111.18 2ixl s VAL 142 Ca 0.01 -1.98 0.15 0.00 -1.81 0.00 0.00 61.98 58.35 2ixl s VAL 142 Cb -0.13 -1.95 0.35 0.00 0.56 0.00 0.00 36.38 35.20 2ixl s VAL 142 CO 0.03 -0.63 1.18 -0.46 -0.31 0.00 0.00 175.10 174.90 2ixl n ASN 143 N -0.18 1.83 -3.93 4.85 6.94 -1.22 -2.00 115.26 121.54 2ixl n ASN 143 Ca -0.09 -3.38 -0.08 0.00 -0.02 0.00 0.00 54.58 51.01 2ixl n ASN 143 Cb 0.62 -0.46 -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 -2.91 -0.16 -0.25 0.53 -1.08 -1.26 -4.59 116.67 106.95 2ixl s ASP 144 Ca 0.34 -0.78 -0.05 0.00 -0.52 0.00 0.00 52.55 51.53 2ixl s ASP 144 Cb 0.32 0.64 -0.01 0.00 -1.46 0.00 0.00 42.92 42.41 2ixl s ASP 144 CO -0.03 -1.21 0.02 -0.31 0.52 0.00 0.00 175.17 174.16 2ixl s TYR 145 N -3.97 3.05 0.40 -5.34 4.12 -1.26 -4.85 117.35 109.49 2ixl s TYR 145 Ca 0.17 -0.84 -0.25 0.00 0.02 0.00 0.00 57.07 56.17 2ixl s TYR 145 Cb -0.03 -2.18 -0.08 0.00 -1.52 0.00 0.00 41.96 38.15 2ixl s TYR 145 CO 0.07 -0.51 1.18 -0.46 0.02 0.00 0.00 175.55 175.85 2ixl s TRP 146 N 1.51 3.04 -0.01 2.71 -0.00 -1.26 -5.07 118.94 119.86 2ixl s TRP 146 Ca 0.05 1.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.70 2ixl s TRP 146 Cb -0.15 -3.41 0.01 0.00 -0.00 0.00 0.00 33.47 29.91 2ixl s TRP 146 CO -0.00 -1.39 -0.02 0.00 -0.00 0.00 0.00 176.95 175.54 2ixl s ALA 147 N -1.41 0.31 0.25 5.86 0.00 -1.26 -5.06 121.76 120.45 2ixl s ALA 147 Ca 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 2ixl s ALA 147 Cb -0.31 -0.18 0.42 0.00 0.00 0.00 0.00 23.12 23.05 2ixl s ALA 147 CO 0.39 0.01 1.80 1.25 0.00 0.00 0.00 175.76 179.21 2ixl h LEU 148 N 6.57 0.63 -0.99 0.00 5.85 -2.03 -1.34 115.31 123.99 2ixl h LEU 148 Ca -0.33 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2ixl h LEU 148 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2ixl h LEU 148 CO 0.49 0.34 0.00 -0.62 -0.34 0.00 0.00 178.44 178.31 2ixl n GLU 149 N -4.78 0.19 0.00 1.25 4.71 -1.26 -2.37 120.64 118.38 2ixl n GLU 149 Ca 0.14 0.50 0.13 0.00 -0.01 0.00 0.00 57.16 57.92 2ixl n GLU 149 Cb 0.31 -1.92 0.28 0.00 -1.01 0.00 0.00 31.44 29.10 2ixl n GLU 149 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ixl n LEU 150 N -2.29 2.23 -0.31 -4.62 7.99 -0.51 -4.45 117.00 115.05 2ixl n LEU 150 Ca 0.01 -0.74 0.15 0.00 -0.01 0.00 0.00 56.01 55.42 2ixl n LEU 150 Cb 0.17 -0.01 0.40 0.00 -0.11 0.00 0.00 43.42 43.87 2ixl n LEU 150 CO 0.17 0.37 1.21 0.11 -1.51 0.00 0.00 177.39 177.74 2ixl h LYS 151 N 3.43 0.61 0.00 3.23 1.57 -1.53 0.16 116.57 124.03 2ixl h LYS 151 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ixl h LYS 151 Cb 0.76 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2ixl h LYS 151 CO 0.00 0.40 0.10 -1.35 -0.57 0.00 0.00 179.45 178.03 2ixl h PRO 152 N 0.63 0.00 -0.00 3.15 0.11 -1.85 -1.35 132.00 132.69 2ixl h PRO 152 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2ixl h PRO 152 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2ixl h PRO 152 CO -0.28 0.00 -0.57 1.63 -0.21 0.00 0.00 178.00 178.57 2ixl n LYS 153 N -2.83 0.15 -3.19 1.05 4.76 0.55 -4.94 118.16 113.72 2ixl n LYS 153 Ca -0.02 -0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.06 2ixl n LYS 153 Cb 0.15 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2ixl n LYS 153 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2ixl s TYR 154 N -2.92 3.51 -0.11 2.13 2.02 -0.51 -4.97 117.35 116.51 2ixl s TYR 154 Ca 0.12 0.51 -0.09 0.00 -0.37 0.00 0.00 57.07 57.24 2ixl s TYR 154 Cb 0.17 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2ixl s TYR 154 CO 0.71 0.03 0.19 0.00 -1.57 0.00 0.00 175.55 174.91 2ixl s ALA 155 N -2.39 3.82 0.01 3.71 0.00 -1.22 -5.02 121.76 120.67 2ixl s ALA 155 Ca 0.42 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2ixl s ALA 155 Cb -0.10 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 2ixl s ALA 155 CO 0.37 0.54 0.09 -0.06 0.00 0.00 0.00 175.76 176.71 2ixl s PHE 156 N -0.87 0.09 0.00 0.00 0.40 -1.26 -0.32 117.98 116.03 2ixl s PHE 156 Ca 0.16 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2ixl s PHE 156 Cb -0.13 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.31 2ixl s PHE 156 CO 0.05 -0.25 -0.07 0.54 0.70 0.00 0.00 175.22 176.19 2ixl s VAL 157 N -1.35 0.52 0.10 -0.44 0.11 -0.52 -4.53 120.40 114.29 2ixl s VAL 157 Ca -0.14 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 2ixl s VAL 157 Cb -0.08 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.23 2ixl s VAL 157 CO 0.01 0.06 1.49 0.21 -3.33 0.00 0.00 175.10 173.54 2ixl s ASN 158 N -0.37 6.73 0.57 3.54 3.84 -0.03 -2.32 114.94 126.90 2ixl s ASN 158 Ca 0.01 2.39 0.25 0.00 0.21 0.00 0.00 52.86 55.71 2ixl s ASN 158 Cb -0.04 -2.58 1.60 0.00 -0.55 0.00 0.00 41.25 39.68 2ixl s ASN 158 CO -0.00 -0.75 2.17 0.10 -2.79 0.00 0.00 177.10 175.83 2ixl h TYR 159 N 7.30 0.00 -0.68 0.43 -0.00 -1.79 -2.63 116.97 119.59 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 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.86 2ixl n ALA 160 N -2.41 2.57 -1.85 0.10 0.00 -1.26 -4.92 120.51 112.74 2ixl n ALA 160 Ca -0.01 -1.39 -0.43 0.00 0.00 0.00 0.00 53.44 51.61 2ixl n ALA 160 Cb 0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.99 5.93 0.00 0.00 -1.08 -0.99 -4.85 116.67 114.69 2ixl s ASP 161 Ca 0.48 1.77 0.18 0.00 -0.52 0.00 0.00 52.55 54.46 2ixl s ASP 161 Cb 0.27 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 40.03 2ixl s ASP 161 CO 0.29 -1.60 1.57 -0.81 0.52 0.00 0.00 175.17 175.15 2ixl n PRO 162 N 8.23 0.08 0.08 4.34 -0.04 -1.26 -2.54 135.00 143.90 2ixl n PRO 162 Ca 0.24 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2ixl n PRO 162 Cb 0.45 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 2ixl n PRO 162 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ixl n SER 163 N -1.43 0.61 -4.75 3.54 3.41 -1.26 -4.82 113.62 108.92 2ixl n SER 163 Ca 0.06 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.82 2ixl n SER 163 Cb 0.19 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 2ixl n SER 163 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ixl s LEU 164 N -4.15 4.48 -1.42 1.04 1.43 -1.05 -4.93 118.68 114.07 2ixl s LEU 164 Ca 0.11 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 2ixl s LEU 164 Cb 0.14 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2ixl s LEU 164 CO 0.58 -0.32 2.28 -0.67 0.23 0.00 0.00 176.35 178.45 2ixl n ASP 165 N 1.90 5.61 -4.08 2.29 2.03 -1.26 -4.85 116.55 118.18 2ixl n ASP 165 Ca 0.02 -2.91 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 2ixl n ASP 165 Cb 0.44 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 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 1.66 0.34 -0.14 5.18 -4.36 -1.26 -4.83 121.20 117.79 2ixl s ILE 166 Ca 0.50 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.29 2ixl s ILE 166 Cb 0.14 -1.22 0.04 0.00 1.25 0.00 0.00 42.46 42.67 2ixl s ILE 166 CO -0.06 -0.81 -0.03 -0.75 0.24 0.00 0.00 174.94 173.53 2ixl s LYS 167 N -3.18 1.14 0.65 0.37 2.47 -1.26 -5.10 119.74 114.82 2ixl s LYS 167 Ca 0.02 -0.32 -0.11 0.00 -1.56 0.00 0.00 55.97 54.00 2ixl s LYS 167 Cb 0.02 -1.73 -0.02 0.00 -1.46 0.00 0.00 37.83 34.64 2ixl s LYS 167 CO -0.06 -0.41 1.05 -1.58 0.16 0.00 0.00 175.35 174.51 2ixl s TRP 168 N 1.76 3.52 0.16 4.03 0.52 -1.26 -5.00 118.94 122.67 2ixl s TRP 168 Ca 0.02 1.23 -0.08 0.00 0.02 0.00 0.00 56.10 57.29 2ixl s TRP 168 Cb -0.14 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.36 2ixl s TRP 168 CO -0.07 -0.85 1.46 1.49 0.02 0.00 0.00 176.95 178.99 2ixl h GLU 169 N -0.43 0.76 -1.82 4.98 4.57 -1.98 -3.41 114.58 117.26 2ixl h GLU 169 Ca -0.44 -0.47 -0.30 0.00 -1.18 0.00 0.00 59.36 56.97 2ixl h GLU 169 Cb 1.21 0.05 -0.29 0.00 -0.16 0.00 0.00 28.75 29.55 2ixl h GLU 169 CO 0.62 1.10 -0.63 1.21 -1.18 0.00 0.00 179.01 180.12 2ixl s ASN 170 N -6.92 0.77 -0.02 1.04 3.84 -1.26 -5.04 114.94 107.35 2ixl s ASN 170 Ca -0.09 -1.24 -0.24 0.00 0.21 0.00 0.00 52.86 51.49 2ixl s ASN 170 Cb 0.11 0.80 -0.20 0.00 -0.55 0.00 0.00 41.25 41.41 2ixl s ASN 170 CO 0.87 -0.27 1.17 0.25 -2.79 0.00 0.00 177.10 176.33 2ixl h LEU 171 N 7.32 0.19 -1.00 3.21 5.85 -1.99 -2.78 115.31 126.10 2ixl h LEU 171 Ca 0.01 -0.62 -0.10 0.00 0.84 0.00 0.00 57.88 58.01 2ixl h LEU 171 Cb 1.08 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2ixl h LEU 171 CO 0.21 0.77 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.28 2ixl h GLU 172 N -0.39 0.05 -0.43 1.25 3.07 -1.98 -2.96 114.58 113.18 2ixl h GLU 172 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2ixl h GLU 172 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2ixl h GLU 172 CO 0.03 0.52 0.00 0.39 -1.40 0.00 0.00 179.01 178.55 2ixl n GLU 173 N -3.97 3.71 -1.80 2.33 1.02 -1.25 -5.01 120.64 115.67 2ixl n GLU 173 Ca -0.02 -2.91 -0.41 0.00 -0.02 0.00 0.00 57.16 53.81 2ixl n GLU 173 Cb 0.50 -1.96 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.54 3.70 -0.41 0.62 0.00 -1.05 -4.92 121.76 117.15 2ixl s ALA 174 Ca 0.46 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 2ixl s ALA 174 Cb 0.35 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2ixl s ALA 174 CO 0.14 -0.98 0.44 -2.00 0.00 0.00 0.00 175.76 173.36 2ixl s GLU 175 N -0.87 3.15 0.16 0.00 2.56 -0.82 -4.94 118.70 117.94 2ixl s GLU 175 Ca 0.60 -0.71 0.03 0.00 0.00 0.00 0.00 54.97 54.90 2ixl s GLU 175 Cb -0.47 -3.95 -0.05 0.00 2.00 0.00 0.00 34.13 31.66 2ixl s GLU 175 CO 0.51 -0.82 -0.06 0.14 -0.56 0.00 0.00 175.26 174.47 2ixl s VAL 176 N 2.15 0.99 0.67 3.70 -7.23 -1.26 -1.81 120.40 117.60 2ixl s VAL 176 Ca 0.12 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 2ixl s VAL 176 Cb -0.17 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 2ixl s VAL 176 CO 0.14 -0.63 1.06 -0.94 -0.31 0.00 0.00 175.10 174.41 2ixl s SER 177 N -3.18 5.76 0.30 4.85 1.04 -1.26 -4.97 113.70 116.24 2ixl s SER 177 Ca 0.20 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 58.00 2ixl s SER 177 Cb 0.04 -2.33 0.44 0.00 0.10 0.00 0.00 66.02 64.28 2ixl s SER 177 CO 0.02 -1.17 1.95 -0.08 0.98 0.00 0.00 173.24 174.94 2ixl h GLU 178 N -0.53 1.05 -0.44 4.02 4.81 -2.01 -2.48 114.58 119.00 2ixl h GLU 178 Ca -0.44 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ixl h GLU 178 Cb 1.21 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2ixl h GLU 178 CO 0.61 0.72 0.23 0.00 -0.73 0.00 0.00 179.01 179.84 2ixl h ALA 179 N 1.47 0.57 0.00 2.92 0.00 -1.98 -2.48 119.26 119.75 2ixl h ALA 179 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ixl h ALA 179 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2ixl h ALA 179 CO -0.06 0.10 -0.12 -0.44 0.00 0.00 0.00 179.25 178.74 2ixl h ASP 180 N 0.57 0.00 0.91 0.00 3.32 -1.80 -1.22 116.42 118.21 2ixl h ASP 180 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2ixl h ASP 180 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2ixl h ASP 180 CO -0.02 0.12 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.11 2ixl h GLU 181 N 0.00 0.00 -0.03 3.56 5.08 -1.01 -3.36 114.58 118.82 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 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2ixl h GLU 181 CO 0.02 0.18 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 2ixl n ASN 182 N -3.35 1.58 -4.74 1.42 3.02 -0.50 -5.03 115.26 107.66 2ixl n ASN 182 Ca 0.00 -1.35 -0.35 0.00 -0.03 0.00 0.00 54.58 52.85 2ixl n ASN 182 Cb 0.40 -0.02 0.07 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.51 2.20 0.60 3.10 3.76 -0.93 -4.97 115.29 118.54 2ixl s HIS 183 Ca 0.06 1.54 -0.17 0.00 -0.15 0.00 0.00 55.06 56.34 2ixl s HIS 183 Cb 0.04 -3.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.19 2ixl s HIS 183 CO 0.06 -2.50 1.12 -1.25 -0.85 0.00 0.00 174.74 171.32 2ixl s PRO 184 N -3.61 3.06 0.85 8.40 0.04 -1.26 -4.19 135.00 138.29 2ixl s PRO 184 Ca 0.77 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2ixl s PRO 184 Cb -0.31 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.35 2ixl s PRO 184 CO 0.40 -1.06 1.09 -0.06 0.04 0.00 0.00 177.00 177.41 2ixl s PHE 185 N -2.05 2.43 0.41 0.56 0.40 -1.26 -0.85 117.98 117.63 2ixl s PHE 185 Ca 0.70 1.37 0.10 0.00 -0.60 0.00 0.00 56.93 58.50 2ixl s PHE 185 Cb -0.22 -3.11 0.91 0.00 0.51 0.00 0.00 43.02 41.10 2ixl s PHE 185 CO 0.34 -2.14 1.98 1.25 0.70 0.00 0.00 175.22 177.35 2ixl h LEU 186 N -1.37 0.48 -2.84 -0.37 5.85 -1.94 -1.05 115.31 114.07 2ixl h LEU 186 Ca -0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2ixl h LEU 186 Cb 1.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2ixl h LEU 186 CO 0.53 0.30 0.01 0.07 -0.34 0.00 0.00 178.44 179.02 2ixl h LYS 187 N 0.54 0.00 -0.37 1.25 2.10 -2.02 -2.09 116.57 115.98 2ixl h LYS 187 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2ixl h LYS 187 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2ixl h LYS 187 CO -0.08 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.12 2ixl n ASP 188 N -3.27 3.05 -4.68 7.07 8.00 -0.40 -4.94 116.55 121.38 2ixl n ASP 188 Ca -0.03 -1.91 -0.38 0.00 0.71 0.00 0.00 54.79 53.18 2ixl n ASP 188 Cb 0.08 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.07 5.21 -0.21 2.53 1.01 -0.79 -4.96 120.40 122.12 2ixl s VAL 189 Ca 0.29 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2ixl s VAL 189 Cb 0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2ixl s VAL 189 CO 0.21 0.26 1.22 -0.75 0.00 0.00 0.00 175.10 176.05 2ixl s LYS 190 N 1.22 4.18 0.37 2.72 2.20 -1.26 -4.99 119.74 124.18 2ixl s LYS 190 Ca 0.19 1.51 -0.27 0.00 -0.36 0.00 0.00 55.97 57.05 2ixl s LYS 190 Cb -0.15 -3.76 -0.11 0.00 -1.51 0.00 0.00 37.83 32.30 2ixl s LYS 190 CO 0.08 -0.77 1.26 -2.30 -0.36 0.00 0.00 175.35 173.26 2ixl n PRO 191 N 6.69 2.01 -2.78 4.03 -0.02 -1.26 -4.89 135.00 138.77 2ixl n PRO 191 Ca 0.14 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 2ixl n PRO 191 Cb 0.45 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.21 3.95 0.74 2.45 1.43 -0.29 -4.62 118.68 121.12 2ixl s LEU 192 Ca 0.58 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 2ixl s LEU 192 Cb -0.55 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.43 2ixl s LEU 192 CO 0.60 -0.96 1.11 -0.13 0.23 0.00 0.00 176.35 177.20 2ixl s ARG 193 N 3.68 2.45 0.26 1.70 0.52 -1.26 -0.90 118.95 125.40 2ixl s ARG 193 Ca 0.39 0.22 -0.02 0.00 -0.52 0.00 0.00 55.73 55.81 2ixl s ARG 193 Cb -0.11 -2.03 0.55 0.00 0.52 0.00 0.00 34.95 33.88 2ixl s ARG 193 CO 0.22 -1.25 1.71 0.87 0.02 0.00 0.00 175.30 176.88 2ixl h LYS 194 N -0.77 0.40 0.00 3.54 1.79 -1.95 0.90 116.57 120.48 2ixl h LYS 194 Ca -0.45 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2ixl h LYS 194 Cb 1.29 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2ixl h LYS 194 CO 0.64 0.27 0.00 -0.85 -1.08 0.00 0.00 179.45 178.43 2ixl n GLU 195 N -5.03 0.12 0.00 3.15 0.00 -1.26 -2.22 120.64 115.40 2ixl n GLU 195 Ca 0.17 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.58 2ixl n GLU 195 Cb 0.50 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.71 2ixl n GLU 195 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ixl n ASP 196 N -1.41 0.67 0.00 -1.84 8.00 0.30 -5.24 116.55 117.03 2ixl n ASP 196 Ca 0.07 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2ixl n ASP 196 Cb 0.21 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2ixl n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99