#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieb s LYS 2 N 0.00 0.54 -0.34 6.28 2.20 -1.26 -5.14 119.74 122.03 1ieb s LYS 2 Ca 0.00 1.17 -0.16 0.00 -0.36 0.00 0.00 55.97 56.62 1ieb s LYS 2 Cb 0.00 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1ieb s LYS 2 CO 0.00 -0.18 0.41 -1.21 -0.36 0.00 0.00 175.35 174.01 1ieb s GLU 3 N 2.09 3.62 -0.21 4.03 0.41 -1.26 -5.06 118.70 122.32 1ieb s GLU 3 Ca -0.07 -0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.15 1ieb s GLU 3 Cb -0.09 -3.79 -0.01 0.00 -1.78 0.00 0.00 34.13 28.46 1ieb s GLU 3 CO -0.17 -0.54 -0.05 -2.00 -0.49 0.00 0.00 175.26 172.01 1ieb s GLU 4 N 2.13 3.41 0.19 1.61 2.12 -1.26 -5.09 118.70 121.81 1ieb s GLU 4 Ca 0.14 -0.62 -0.14 0.00 0.36 0.00 0.00 54.97 54.72 1ieb s GLU 4 Cb -0.16 -2.97 0.01 0.00 0.26 0.00 0.00 34.13 31.27 1ieb s GLU 4 CO 0.12 -0.11 0.43 -1.01 -0.54 0.00 0.00 175.26 174.14 1ieb s HIS 5 N 1.26 0.11 -0.11 5.30 3.76 -1.26 -5.07 115.29 119.29 1ieb s HIS 5 Ca 0.03 -0.47 -0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1ieb s HIS 5 Cb -0.14 0.21 0.05 0.00 1.11 0.00 0.00 32.58 33.80 1ieb s HIS 5 CO -0.02 -0.85 0.24 0.99 -0.85 0.00 0.00 174.74 174.26 1ieb s THR 6 N -3.92 -0.14 -0.08 1.30 2.01 -1.26 -5.00 115.64 108.54 1ieb s THR 6 Ca 0.13 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1ieb s THR 6 Cb 0.01 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1ieb s THR 6 CO -0.01 0.08 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.27 1ieb s ILE 7 N 1.58 3.45 -0.02 1.82 1.01 -1.26 -0.93 121.20 126.86 1ieb s ILE 7 Ca -0.06 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1ieb s ILE 7 Cb -0.11 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 1ieb s ILE 7 CO -0.08 0.57 -0.14 -0.63 0.00 0.00 0.00 174.94 174.66 1ieb s ILE 8 N -0.46 1.13 -0.41 2.92 1.01 -0.73 -4.94 121.20 119.73 1ieb s ILE 8 Ca 0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 1ieb s ILE 8 Cb -0.12 -0.96 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1ieb s ILE 8 CO 0.02 0.33 0.22 -1.58 0.00 0.00 0.00 174.94 173.93 1ieb s GLN 9 N -0.10 2.24 -0.13 2.79 0.74 -1.26 -0.63 119.66 123.31 1ieb s GLN 9 Ca 0.01 -1.69 -0.04 0.00 0.05 0.00 0.00 55.36 53.69 1ieb s GLN 9 Cb -0.08 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 1ieb s GLN 9 CO 0.00 -1.03 0.01 0.00 -0.55 0.00 0.00 175.29 173.73 1ieb s ALA 10 N 1.24 3.26 0.01 1.58 0.00 -0.67 -4.98 121.76 122.21 1ieb s ALA 10 Ca 0.05 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1ieb s ALA 10 Cb -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1ieb s ALA 10 CO -0.02 0.39 0.15 -1.83 0.00 0.00 0.00 175.76 174.46 1ieb s GLU 11 N -0.26 0.56 0.21 0.00 -1.05 -1.26 -1.46 118.70 115.43 1ieb s GLU 11 Ca 0.06 -0.49 -0.18 0.00 -0.15 0.00 0.00 54.97 54.22 1ieb s GLU 11 Cb -0.12 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1ieb s GLU 11 CO 0.02 -0.14 0.54 -0.59 0.95 0.00 0.00 175.26 176.04 1ieb s PHE 12 N -1.80 -0.10 -0.04 4.83 -0.12 -0.69 -4.98 117.98 115.08 1ieb s PHE 12 Ca -0.11 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.50 1ieb s PHE 12 Cb -0.05 0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1ieb s PHE 12 CO -0.00 -0.95 0.08 -0.47 -0.05 0.00 0.00 175.22 173.83 1ieb s TYR 13 N -3.88 -0.03 -0.13 3.49 5.04 -1.26 -1.51 117.35 119.06 1ieb s TYR 13 Ca 0.10 0.30 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 1ieb s TYR 13 Cb -0.01 -0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.04 1ieb s TYR 13 CO -0.01 -0.16 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.68 1ieb s LEU 14 N 1.52 1.93 0.19 6.97 2.96 -0.77 -4.97 118.68 126.51 1ieb s LEU 14 Ca -0.04 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1ieb s LEU 14 Cb -0.12 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1ieb s LEU 14 CO -0.04 0.05 0.19 -0.76 -1.32 0.00 0.00 176.35 174.47 1ieb s LEU 15 N 0.90 3.93 0.34 -0.68 1.43 -1.26 -0.66 118.68 122.67 1ieb s LEU 15 Ca -0.07 -0.11 0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1ieb s LEU 15 Cb -0.15 -2.50 0.57 0.00 0.03 0.00 0.00 46.19 44.14 1ieb s LEU 15 CO -0.02 0.02 1.70 1.55 0.23 0.00 0.00 176.35 179.83 1ieb h PRO 16 N 1.99 0.00 0.00 1.29 0.13 -2.01 -3.46 132.00 129.94 1ieb h PRO 16 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ieb h PRO 16 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ieb h PRO 16 CO 0.63 0.46 0.69 -0.25 -0.23 0.00 0.00 178.00 179.30 1ieb n ASP 17 N -3.68 0.02 -4.04 1.44 9.92 -1.23 -4.79 116.55 114.19 1ieb n ASP 17 Ca -0.01 0.23 -0.44 0.00 -0.53 0.00 0.00 54.79 54.04 1ieb n ASP 17 Cb 0.54 -0.02 0.02 0.00 -0.64 0.00 0.00 41.12 41.01 1ieb n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ieb n LYS 18 N -1.66 -0.43 -3.66 -1.24 5.02 0.16 -4.96 118.16 111.40 1ieb n LYS 18 Ca -0.00 0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 1ieb n LYS 18 Cb 0.69 -2.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.11 1ieb n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ieb s ARG 19 N -7.07 0.04 0.00 1.97 1.70 -1.04 -4.99 118.95 109.56 1ieb s ARG 19 Ca 0.42 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 56.21 1ieb s ARG 19 Cb -0.23 -0.35 0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1ieb s ARG 19 CO 0.96 -0.33 0.00 0.41 -1.08 0.00 0.00 175.30 175.26 1ieb n GLY 20 N 5.32 1.75 3.65 3.88 0.00 -1.26 -1.86 105.19 116.68 1ieb n GLY 20 Ca -0.05 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 1ieb n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ieb s GLU 21 N 2.74 0.06 -0.16 1.61 2.12 -0.57 -4.91 118.70 119.59 1ieb s GLU 21 Ca 0.00 0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 1ieb s GLU 21 Cb 0.00 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.47 1ieb s GLU 21 CO 0.00 -0.01 0.08 0.12 -0.54 0.00 0.00 175.26 174.91 1ieb s PHE 22 N 0.39 0.25 0.16 5.30 2.19 -1.26 -1.70 117.98 123.31 1ieb s PHE 22 Ca 0.02 -0.31 -0.02 0.00 0.33 0.00 0.00 56.93 56.95 1ieb s PHE 22 Cb -0.04 -0.70 -0.04 0.00 -1.31 0.00 0.00 43.02 40.93 1ieb s PHE 22 CO -0.14 -0.49 0.12 0.00 1.83 0.00 0.00 175.22 176.54 1ieb s MET 23 N 2.12 1.05 0.05 10.12 0.23 -0.53 -1.06 119.30 131.28 1ieb s MET 23 Ca 0.02 -1.47 0.09 0.00 -1.03 0.00 0.00 55.69 53.31 1ieb s MET 23 Cb -0.16 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 1ieb s MET 23 CO -0.08 -0.33 -0.26 -0.06 -2.03 0.00 0.00 175.02 172.26 1ieb s PHE 24 N -4.07 2.28 -0.02 3.16 0.40 -0.59 -1.67 117.98 117.47 1ieb s PHE 24 Ca 0.28 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1ieb s PHE 24 Cb 0.07 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1ieb s PHE 24 CO 0.05 0.14 -0.22 0.34 0.70 0.00 0.00 175.22 176.23 1ieb s ASP 25 N -1.32 2.61 -0.23 1.36 -1.08 0.19 -0.55 116.67 117.66 1ieb s ASP 25 Ca 0.12 -0.41 0.02 0.00 -0.52 0.00 0.00 52.55 51.75 1ieb s ASP 25 Cb -0.10 -0.35 0.05 0.00 -1.46 0.00 0.00 42.92 41.07 1ieb s ASP 25 CO 0.02 0.26 -0.09 0.12 0.52 0.00 0.00 175.17 176.01 1ieb s PHE 26 N -0.46 2.71 -0.73 -5.34 5.36 0.77 -1.77 117.98 118.53 1ieb s PHE 26 Ca 0.07 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 54.13 1ieb s PHE 26 Cb -0.09 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1ieb s PHE 26 CO -0.00 -0.80 0.00 -0.25 -1.46 0.00 0.00 175.22 172.70 1ieb n ASP 27 N 4.59 -2.89 0.00 6.13 9.92 -0.10 -1.15 116.55 133.05 1ieb n ASP 27 Ca -0.14 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1ieb n ASP 27 Cb 0.44 -2.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.39 1ieb n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ieb n GLY 28 N -0.65 2.06 3.67 0.44 0.00 -1.26 -5.03 105.19 104.42 1ieb n GLY 28 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1ieb n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ieb s ASP 29 N -1.66 5.17 0.12 1.61 1.01 -0.30 -5.00 116.67 117.62 1ieb s ASP 29 Ca 0.00 0.11 -0.31 0.00 0.71 0.00 0.00 52.55 53.06 1ieb s ASP 29 Cb 0.00 -1.43 -0.10 0.00 1.01 0.00 0.00 42.92 42.40 1ieb s ASP 29 CO 0.00 0.36 1.79 -0.70 0.21 0.00 0.00 175.17 176.83 1ieb s GLU 30 N -0.97 4.15 -0.08 8.23 2.12 -1.26 -0.16 118.70 130.73 1ieb s GLU 30 Ca 0.14 2.54 -0.21 0.00 0.36 0.00 0.00 54.97 57.80 1ieb s GLU 30 Cb -0.11 -3.57 -0.29 0.00 0.26 0.00 0.00 34.13 30.42 1ieb s GLU 30 CO 0.03 -0.82 0.78 0.82 -0.54 0.00 0.00 175.26 175.53 1ieb h ILE 31 N 4.66 1.42 -1.87 -3.70 2.04 -1.15 -3.40 117.51 115.51 1ieb h ILE 31 Ca -0.45 -2.47 0.29 0.00 1.00 0.00 0.00 64.86 63.23 1ieb h ILE 31 Cb 1.21 3.08 -0.09 0.00 -0.74 0.00 0.00 36.82 40.28 1ieb h ILE 31 CO 0.94 0.69 0.78 0.72 0.00 0.00 0.00 178.15 181.28 1ieb s PHE 32 N -2.41 -0.02 0.07 1.37 -0.12 -1.22 -1.27 117.98 114.38 1ieb s PHE 32 Ca -0.16 -0.15 -0.16 0.00 -0.05 0.00 0.00 56.93 56.41 1ieb s PHE 32 Cb 0.01 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1ieb s PHE 32 CO 0.79 -0.42 0.38 -3.38 -0.05 0.00 0.00 175.22 172.54 1ieb s HIS 33 N -2.37 -0.20 0.11 3.49 -3.43 -1.01 -1.53 115.29 110.35 1ieb s HIS 33 Ca 0.19 0.04 -0.01 0.00 -0.80 0.00 0.00 55.06 54.48 1ieb s HIS 33 Cb 0.02 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 1ieb s HIS 33 CO -0.01 -0.59 0.29 0.08 -2.00 0.00 0.00 174.74 172.51 1ieb s VAL 34 N -2.92 5.29 -0.66 -5.38 1.01 -0.22 0.38 120.40 117.90 1ieb s VAL 34 Ca -0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1ieb s VAL 34 Cb 0.00 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.88 1ieb s VAL 34 CO -0.06 0.05 0.68 -0.62 0.00 0.00 0.00 175.10 175.15 1ieb s ASP 35 N -2.65 6.38 0.56 3.32 -1.08 -0.05 -4.53 116.67 118.63 1ieb s ASP 35 Ca 0.37 -1.98 0.29 0.00 -0.52 0.00 0.00 52.55 50.71 1ieb s ASP 35 Cb -0.12 -2.25 1.46 0.00 -1.46 0.00 0.00 42.92 40.55 1ieb s ASP 35 CO 0.27 -0.86 1.92 0.40 0.52 0.00 0.00 175.17 177.43 1ieb h ILE 36 N 5.58 0.53 0.00 4.11 1.08 -1.94 0.70 117.51 127.57 1ieb h ILE 36 Ca -0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1ieb h ILE 36 Cb 1.07 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1ieb h ILE 36 CO 0.98 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.65 1ieb n GLU 37 N -4.07 0.00 0.23 2.37 2.13 -1.26 -4.02 120.64 116.01 1ieb n GLU 37 Ca 0.12 0.31 0.13 0.00 0.66 0.00 0.00 57.16 58.38 1ieb n GLU 37 Cb 0.75 -0.80 0.72 0.00 0.27 0.00 0.00 31.44 32.37 1ieb n GLU 37 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ieb h LYS 38 N 0.00 0.00 -5.34 5.31 6.56 -1.99 -3.45 116.57 117.66 1ieb h LYS 38 Ca 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.31 1ieb h LYS 38 Cb 0.00 0.00 0.16 0.00 -0.57 0.00 0.00 32.23 31.82 1ieb h LYS 38 CO 0.00 0.00 -0.73 0.45 -2.06 0.00 0.00 179.45 177.11 1ieb n SER 39 N -2.48 -3.17 -3.88 0.86 2.88 0.24 -5.02 113.62 103.05 1ieb n SER 39 Ca -0.02 -0.59 -0.11 0.00 -1.33 0.00 0.00 58.87 56.82 1ieb n SER 39 Cb 0.14 -4.79 -0.13 0.00 -0.75 0.00 0.00 64.21 58.69 1ieb n SER 39 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1ieb s GLU 40 N -5.00 0.16 0.06 -1.46 -1.05 -1.10 -4.79 118.70 105.53 1ieb s GLU 40 Ca 0.11 -0.13 -0.31 0.00 -0.15 0.00 0.00 54.97 54.50 1ieb s GLU 40 Cb -0.01 0.07 -0.06 0.00 -0.44 0.00 0.00 34.13 33.69 1ieb s GLU 40 CO 0.68 -0.03 1.22 0.99 0.95 0.00 0.00 175.26 179.07 1ieb s THR 41 N -0.46 3.98 -0.52 1.83 2.01 -1.26 -0.87 115.64 120.34 1ieb s THR 41 Ca -0.05 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.40 1ieb s THR 41 Cb -0.03 -3.91 0.13 0.00 0.01 0.00 0.00 72.50 68.70 1ieb s THR 41 CO -0.00 0.10 0.26 -0.63 -0.69 0.00 0.00 174.62 173.67 1ieb s ILE 42 N 1.13 2.63 0.63 1.82 -1.09 0.16 -4.97 121.20 121.51 1ieb s ILE 42 Ca 0.59 -3.31 -0.18 0.00 -2.23 0.00 0.00 60.65 55.52 1ieb s ILE 42 Cb -0.30 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1ieb s ILE 42 CO 0.29 -0.80 1.11 0.79 -1.23 0.00 0.00 174.94 175.10 1ieb n TRP 43 N 3.12 1.31 -0.15 3.97 7.02 -1.26 -2.41 117.44 129.05 1ieb n TRP 43 Ca 0.05 0.43 -0.11 0.00 -1.02 0.00 0.00 57.50 56.85 1ieb n TRP 43 Cb 0.32 -2.19 -0.01 0.00 -2.42 0.00 0.00 31.31 27.01 1ieb n TRP 43 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1ieb h ARG 44 N 0.47 0.83 -4.59 -0.99 9.65 -1.40 -3.41 114.38 114.95 1ieb h ARG 44 Ca -0.50 -0.31 -0.59 0.00 -1.10 0.00 0.00 59.98 57.49 1ieb h ARG 44 Cb 1.35 -0.05 -0.36 0.00 -1.39 0.00 0.00 29.97 29.52 1ieb h ARG 44 CO 0.52 0.94 -0.83 -0.51 2.80 0.00 0.00 179.97 182.88 1ieb s LEU 45 N -9.26 1.59 0.47 3.80 1.43 -1.26 -5.03 118.68 110.42 1ieb s LEU 45 Ca -0.12 -0.45 0.29 0.00 -1.03 0.00 0.00 54.13 52.82 1ieb s LEU 45 Cb 0.11 -1.11 1.37 0.00 0.03 0.00 0.00 46.19 46.59 1ieb s LEU 45 CO 0.83 -0.06 1.75 -0.08 0.23 0.00 0.00 176.35 179.01 1ieb h GLU 46 N 8.03 0.16 -0.04 1.70 4.57 -1.98 -0.76 114.58 126.26 1ieb h GLU 46 Ca -0.36 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 1ieb h GLU 46 Cb 1.14 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1ieb h GLU 46 CO 0.50 0.11 0.17 1.05 -1.18 0.00 0.00 179.01 179.66 1ieb h GLU 47 N 0.16 0.00 -0.23 1.92 4.11 -1.97 -1.26 114.58 117.31 1ieb h GLU 47 Ca 0.64 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.05 1ieb h GLU 47 Cb 2.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1ieb h GLU 47 CO -0.19 0.00 0.08 0.74 0.07 0.00 0.00 179.01 179.71 1ieb h PHE 48 N 0.00 0.37 -1.50 2.06 0.04 -1.54 -3.09 116.94 113.29 1ieb h PHE 48 Ca 0.02 -0.04 0.43 0.00 2.80 0.00 0.00 57.97 61.19 1ieb h PHE 48 Cb 0.36 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 1ieb h PHE 48 CO 0.00 0.43 1.25 0.00 -0.60 0.00 0.00 178.31 179.39 1ieb h ALA 49 N 0.90 3.41 -0.13 2.45 0.00 -1.41 0.89 119.26 125.38 1ieb h ALA 49 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ieb h ALA 49 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ieb h ALA 49 CO -0.00 -2.03 0.00 0.36 0.00 0.00 0.00 179.25 177.58 1ieb n LYS 50 N -3.70 1.42 0.00 0.00 2.85 -1.17 -4.13 118.16 113.43 1ieb n LYS 50 Ca 0.33 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 1ieb n LYS 50 Cb 1.71 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1ieb n LYS 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ieb n PHE 51 N -0.08 0.00 -3.93 5.58 3.72 0.31 -5.09 117.46 117.97 1ieb n PHE 51 Ca 0.12 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.42 1ieb n PHE 51 Cb 0.19 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.67 1ieb n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ieb s ALA 52 N -1.71 -0.21 -0.08 4.37 0.00 -1.20 -5.16 121.76 117.77 1ieb s ALA 52 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1ieb s ALA 52 Cb 0.00 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1ieb s ALA 52 CO 0.00 -0.72 0.18 -1.54 0.00 0.00 0.00 175.76 173.68 1ieb s SER 53 N -2.96 -0.00 -0.20 0.00 1.04 -1.26 -4.65 113.70 105.67 1ieb s SER 53 Ca 0.17 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 1ieb s SER 53 Cb 0.02 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1ieb s SER 53 CO 0.01 -0.17 -0.04 0.12 0.98 0.00 0.00 173.24 174.14 1ieb s PHE 54 N 1.42 2.96 -0.61 5.02 5.36 -1.26 -5.04 117.98 125.83 1ieb s PHE 54 Ca -0.07 -0.77 -0.27 0.00 -0.96 0.00 0.00 56.93 54.86 1ieb s PHE 54 Cb -0.11 -2.06 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1ieb s PHE 54 CO -0.07 -0.42 1.68 -2.00 -1.46 0.00 0.00 175.22 172.95 1ieb s GLU 55 N 1.20 2.88 0.36 10.12 2.56 -1.26 -4.74 118.70 129.82 1ieb s GLU 55 Ca 0.02 0.47 0.15 0.00 0.00 0.00 0.00 54.97 55.61 1ieb s GLU 55 Cb -0.14 -4.30 0.83 0.00 2.00 0.00 0.00 34.13 32.52 1ieb s GLU 55 CO -0.01 -2.45 1.38 0.00 -0.56 0.00 0.00 175.26 173.63 1ieb h ALA 56 N 13.29 1.21 -0.53 6.30 0.00 -1.96 -0.08 119.26 137.50 1ieb h ALA 56 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1ieb h ALA 56 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ieb h ALA 56 CO 1.21 -0.21 -0.06 1.96 0.00 0.00 0.00 179.25 182.16 1ieb h GLN 57 N 0.00 0.94 -0.85 0.00 1.08 -1.88 -3.08 115.11 111.32 1ieb h GLN 57 Ca 0.00 -0.31 0.20 0.00 -1.45 0.00 0.00 58.65 57.09 1ieb h GLN 57 Cb 0.59 -0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 27.78 1ieb h GLN 57 CO 0.00 0.97 -0.04 0.78 -0.95 0.00 0.00 178.83 179.59 1ieb h GLY 58 N 0.98 0.91 0.85 3.46 0.00 -1.40 0.82 103.07 108.68 1ieb h GLY 58 Ca 0.15 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1ieb h GLY 58 CO 0.04 -0.36 -0.41 0.00 0.00 0.00 0.00 176.54 175.81 1ieb h ALA 59 N 1.83 -1.23 -1.29 3.60 0.00 -1.72 -2.69 119.26 117.75 1ieb h ALA 59 Ca 0.47 -0.25 0.46 0.00 0.00 0.00 0.00 54.91 55.59 1ieb h ALA 59 Cb 0.85 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1ieb h ALA 59 CO -0.79 -1.15 0.81 1.28 0.00 0.00 0.00 179.25 179.40 1ieb n LEU 60 N -5.24 0.24 -0.06 0.00 4.77 0.17 0.47 117.00 117.35 1ieb n LEU 60 Ca -0.14 1.43 -0.14 0.00 -0.03 0.00 0.00 56.01 57.13 1ieb n LEU 60 Cb 0.45 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1ieb n LEU 60 CO 0.34 -1.56 0.55 0.00 -1.33 0.00 0.00 177.39 175.38 1ieb h ALA 61 N 1.66 0.28 -0.57 -1.18 0.00 -0.95 -2.45 119.26 116.04 1ieb h ALA 61 Ca 0.87 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 1ieb h ALA 61 Cb 2.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.41 1ieb h ALA 61 CO -0.52 0.25 0.08 -0.91 0.00 0.00 0.00 179.25 178.16 1ieb h ASN 62 N 0.14 0.91 -0.15 0.00 4.21 0.33 -1.92 115.58 119.11 1ieb h ASN 62 Ca 0.02 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.24 1ieb h ASN 62 Cb 0.82 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 1ieb h ASN 62 CO 0.06 0.95 0.03 0.40 -1.29 0.00 0.00 177.43 177.57 1ieb h ILE 63 N 0.84 1.14 -0.37 2.81 1.08 -1.31 0.97 117.51 122.67 1ieb h ILE 63 Ca 0.17 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1ieb h ILE 63 Cb 0.43 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 1ieb h ILE 63 CO 0.01 0.17 0.13 0.00 -0.69 0.00 0.00 178.15 177.78 1ieb h ALA 64 N 1.70 0.43 -0.35 1.87 0.00 -0.85 0.17 119.26 122.22 1ieb h ALA 64 Ca 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1ieb h ALA 64 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ieb h ALA 64 CO 0.00 -0.26 -0.30 0.28 0.00 0.00 0.00 179.25 178.98 1ieb h VAL 65 N 0.29 1.28 0.00 0.00 2.07 -1.10 -2.44 116.25 116.35 1ieb h VAL 65 Ca 0.16 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1ieb h VAL 65 Cb 0.13 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1ieb h VAL 65 CO -0.16 0.48 0.00 0.44 0.02 0.00 0.00 177.57 178.35 1ieb h ASP 66 N 0.61 0.00 0.02 0.57 3.32 -0.07 0.12 116.42 120.99 1ieb h ASP 66 Ca 0.06 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.89 1ieb h ASP 66 Cb 0.88 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.45 1ieb h ASP 66 CO 0.08 0.00 -0.90 0.50 -1.72 0.00 0.00 179.24 177.20 1ieb h LYS 67 N 0.00 0.58 0.83 3.56 3.11 -0.24 -2.71 116.57 121.70 1ieb h LYS 67 Ca 0.00 -0.65 -0.04 0.00 -2.81 0.00 0.00 60.65 57.15 1ieb h LYS 67 Cb 0.15 0.19 0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1ieb h LYS 67 CO 0.00 1.25 -0.40 0.00 -2.81 0.00 0.00 179.45 177.49 1ieb h ALA 68 N 0.35 -1.11 -0.90 5.00 0.00 -0.47 -3.19 119.26 118.94 1ieb h ALA 68 Ca -0.12 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1ieb h ALA 68 Cb 1.58 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 1ieb h ALA 68 CO 0.18 -1.04 0.35 -0.91 0.00 0.00 0.00 179.25 177.82 1ieb h ASN 69 N -1.28 0.21 -0.35 0.00 2.35 -1.06 0.27 115.58 115.72 1ieb h ASN 69 Ca -0.11 0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1ieb h ASN 69 Cb 0.86 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1ieb h ASN 69 CO 0.19 -0.08 0.24 0.25 -1.65 0.00 0.00 177.43 176.37 1ieb h LEU 70 N 0.31 0.33 -0.38 1.61 5.85 -1.47 0.56 115.31 122.13 1ieb h LEU 70 Ca 0.57 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 59.11 1ieb h LEU 70 Cb 1.14 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1ieb h LEU 70 CO -0.59 0.23 -0.82 0.44 -0.34 0.00 0.00 178.44 177.37 1ieb h ASP 71 N 0.39 0.05 0.54 1.25 3.32 -0.49 0.10 116.42 121.58 1ieb h ASP 71 Ca 0.14 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1ieb h ASP 71 Cb 0.09 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1ieb h ASP 71 CO -0.03 0.84 -0.26 0.58 -1.72 0.00 0.00 179.24 178.65 1ieb h VAL 72 N 0.02 0.20 -0.95 -1.35 2.07 -0.34 -2.88 116.25 113.02 1ieb h VAL 72 Ca -0.01 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1ieb h VAL 72 Cb 1.43 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1ieb h VAL 72 CO 0.11 0.03 0.61 0.24 0.02 0.00 0.00 177.57 178.59 1ieb h MET 73 N -1.10 1.00 0.00 1.57 2.86 0.02 0.12 114.93 119.40 1ieb h MET 73 Ca -0.07 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1ieb h MET 73 Cb 0.61 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1ieb h MET 73 CO 0.12 0.66 -0.25 -0.22 1.06 0.00 0.00 176.91 178.29 1ieb h LYS 74 N 1.03 0.00 0.18 1.72 3.64 -0.86 -2.52 116.57 119.76 1ieb h LYS 74 Ca 0.43 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.53 1ieb h LYS 74 Cb 0.30 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1ieb h LYS 74 CO -0.18 0.25 -1.29 1.49 -2.27 0.00 0.00 179.45 177.44 1ieb h GLU 75 N 0.00 0.38 0.00 1.90 4.81 -0.70 0.23 114.58 121.19 1ieb h GLU 75 Ca -0.00 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1ieb h GLU 75 Cb 0.59 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1ieb h GLU 75 CO 0.03 1.31 0.00 -2.13 -0.73 0.00 0.00 179.01 177.49 1ieb n ARG 76 N -3.88 0.01 -1.36 1.92 0.63 0.21 -2.52 116.66 111.68 1ieb n ARG 76 Ca -0.19 0.41 0.02 0.00 -0.92 0.00 0.00 57.85 57.17 1ieb n ARG 76 Cb 0.97 -1.50 0.09 0.00 0.45 0.00 0.00 32.46 32.47 1ieb n ARG 76 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1ieb n SER 77 N -1.45 1.60 -1.83 6.15 3.41 -1.09 -4.98 113.62 115.43 1ieb n SER 77 Ca 0.01 -2.80 -0.19 0.00 -0.26 0.00 0.00 58.87 55.63 1ieb n SER 77 Cb 0.03 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 1ieb n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ieb n ASN 78 N -0.27 -5.43 -2.84 4.04 2.85 -1.05 -1.84 115.26 110.73 1ieb n ASN 78 Ca 0.14 0.23 -0.20 0.00 -0.11 0.00 0.00 54.58 54.64 1ieb n ASN 78 Cb 0.94 -4.55 0.01 0.00 1.24 0.00 0.00 39.78 37.42 1ieb n ASN 78 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ieb n ASN 79 N -1.39 -4.97 -4.59 1.20 5.03 0.80 -4.88 115.26 106.46 1ieb n ASN 79 Ca -0.21 -0.14 -0.43 0.00 0.87 0.00 0.00 54.58 54.67 1ieb n ASN 79 Cb 0.65 -4.10 -0.02 0.00 -1.02 0.00 0.00 39.78 35.29 1ieb n ASN 79 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ieb s THR 80 N -2.95 4.09 -0.41 3.41 2.01 -0.76 -4.98 115.64 116.03 1ieb s THR 80 Ca 0.19 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.94 1ieb s THR 80 Cb -0.09 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 67.78 1ieb s THR 80 CO 0.24 -1.18 1.22 -2.16 -0.69 0.00 0.00 174.62 172.05 1ieb s PRO 81 N 4.76 3.77 1.27 4.92 0.04 -1.26 -5.03 135.00 143.47 1ieb s PRO 81 Ca 0.46 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 1ieb s PRO 81 Cb -0.07 -3.91 0.29 0.00 0.04 0.00 0.00 34.50 30.85 1ieb s PRO 81 CO 0.29 -1.32 0.75 -3.47 0.04 0.00 0.00 177.00 173.29 1ieb n ASP 82 N 7.91 -2.89 -4.85 6.66 -0.08 -1.26 -5.00 116.55 117.04 1ieb n ASP 82 Ca 0.13 -0.45 -0.29 0.00 -1.51 0.00 0.00 54.79 52.67 1ieb n ASP 82 Cb 0.48 -1.07 0.11 0.00 2.34 0.00 0.00 41.12 42.97 1ieb n ASP 82 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ieb s ALA 83 N -2.24 2.31 -0.19 -1.67 0.00 -1.26 -5.06 121.76 113.65 1ieb s ALA 83 Ca 0.63 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 1ieb s ALA 83 Cb -0.17 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1ieb s ALA 83 CO 0.60 -1.90 0.02 -0.80 0.00 0.00 0.00 175.76 173.68 1ieb s ASN 84 N -4.35 5.13 -0.52 0.00 -0.87 -1.26 -4.75 114.94 108.31 1ieb s ASN 84 Ca 0.63 -0.10 -0.19 0.00 -1.57 0.00 0.00 52.86 51.62 1ieb s ASN 84 Cb -0.13 -1.88 0.07 0.00 -0.02 0.00 0.00 41.25 39.29 1ieb s ASN 84 CO 0.51 0.10 0.64 -0.69 -2.57 0.00 0.00 177.10 175.09 1ieb s VAL 85 N 0.79 4.87 0.28 1.60 1.01 0.57 -4.72 120.40 124.80 1ieb s VAL 85 Ca 0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1ieb s VAL 85 Cb -0.14 -4.33 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 1ieb s VAL 85 CO 0.02 -0.85 1.43 0.00 0.00 0.00 0.00 175.10 175.70 1ieb n ALA 86 N 6.19 1.59 -1.70 5.51 0.00 -1.25 -2.54 120.51 128.30 1ieb n ALA 86 Ca -0.07 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1ieb n ALA 86 Cb 0.45 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.58 1ieb n ALA 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ieb s PRO 87 N -0.85 3.40 -0.21 0.00 0.04 -1.26 -4.70 135.00 131.42 1ieb s PRO 87 Ca 0.63 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1ieb s PRO 87 Cb -0.58 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1ieb s PRO 87 CO 0.53 -0.73 0.03 -2.00 0.04 0.00 0.00 177.00 174.87 1ieb s GLU 88 N -4.37 3.72 0.12 4.56 2.12 0.61 -4.92 118.70 120.53 1ieb s GLU 88 Ca 0.61 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.51 1ieb s GLU 88 Cb -0.14 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1ieb s GLU 88 CO 0.41 0.03 0.07 0.08 -0.54 0.00 0.00 175.26 175.32 1ieb s VAL 89 N 0.98 4.34 -0.30 3.70 1.01 -1.26 -0.71 120.40 128.16 1ieb s VAL 89 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1ieb s VAL 89 Cb -0.14 -3.14 0.16 0.00 0.00 0.00 0.00 36.38 33.26 1ieb s VAL 89 CO 0.02 0.02 0.78 -0.89 0.00 0.00 0.00 175.10 175.03 1ieb s THR 90 N -1.53 -0.78 -0.23 3.92 2.01 -1.10 -4.97 115.64 112.95 1ieb s THR 90 Ca 0.29 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 1ieb s THR 90 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1ieb s THR 90 CO 0.21 0.00 0.47 -0.69 -0.69 0.00 0.00 174.62 173.92 1ieb s VAL 91 N 2.77 5.12 0.06 3.82 1.01 -1.26 -2.22 120.40 129.71 1ieb s VAL 91 Ca 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.77 1ieb s VAL 91 Cb -0.11 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1ieb s VAL 91 CO -0.18 0.16 0.07 -1.48 0.00 0.00 0.00 175.10 173.67 1ieb s LEU 92 N 1.84 1.96 0.45 3.92 2.34 -0.18 -4.91 118.68 124.11 1ieb s LEU 92 Ca 0.21 -0.76 -0.20 0.00 0.06 0.00 0.00 54.13 53.44 1ieb s LEU 92 Cb -0.15 0.57 -0.10 0.00 -0.56 0.00 0.00 46.19 45.94 1ieb s LEU 92 CO 0.09 -0.61 0.97 -0.94 -1.06 0.00 0.00 176.35 174.80 1ieb s SER 93 N -2.66 6.82 0.50 1.48 1.04 -1.26 0.32 113.70 119.94 1ieb s SER 93 Ca 0.03 1.71 0.29 0.00 0.48 0.00 0.00 55.95 58.45 1ieb s SER 93 Cb 0.04 -2.54 0.93 0.00 0.10 0.00 0.00 66.02 64.56 1ieb s SER 93 CO -0.09 -0.44 1.83 -0.09 0.98 0.00 0.00 173.24 175.43 1ieb h ARG 94 N 1.75 0.00 -2.62 4.02 2.43 -1.30 -3.45 114.38 115.21 1ieb h ARG 94 Ca -0.49 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1ieb h ARG 94 Cb 1.19 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.64 1ieb h ARG 94 CO 0.61 0.03 0.37 -1.54 -1.51 0.00 0.00 179.97 177.92 1ieb s SER 95 N -5.93 -0.32 0.03 -3.80 1.04 -1.26 -5.02 113.70 98.43 1ieb s SER 95 Ca 0.03 -0.27 -0.38 0.00 0.48 0.00 0.00 55.95 55.81 1ieb s SER 95 Cb 0.08 0.54 -0.19 0.00 0.10 0.00 0.00 66.02 66.55 1ieb s SER 95 CO 0.60 -0.96 1.06 -2.65 0.98 0.00 0.00 173.24 172.28 1ieb n PRO 96 N -0.40 0.19 -3.13 4.02 -0.02 -1.26 -4.90 135.00 129.51 1ieb n PRO 96 Ca -0.09 0.07 -0.44 0.00 -2.02 0.00 0.00 63.50 61.03 1ieb n PRO 96 Cb 0.61 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.49 1ieb n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ieb s VAL 97 N -0.02 4.83 0.03 -1.45 1.01 -1.26 -5.01 120.40 118.52 1ieb s VAL 97 Ca 0.87 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1ieb s VAL 97 Cb -1.19 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 30.83 1ieb s VAL 97 CO 0.55 -0.84 0.10 0.20 0.00 0.00 0.00 175.10 175.11 1ieb s ASN 98 N 2.74 5.72 0.06 3.32 0.01 -1.26 -5.06 114.94 120.47 1ieb s ASN 98 Ca 0.16 0.11 -0.31 0.00 -0.71 0.00 0.00 52.86 52.12 1ieb s ASN 98 Cb -0.19 -1.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.77 1ieb s ASN 98 CO 0.12 0.23 1.51 -0.76 -1.51 0.00 0.00 177.10 176.70 1ieb s LEU 99 N -2.02 4.35 0.00 0.60 1.43 -1.26 -3.12 118.68 118.65 1ieb s LEU 99 Ca 0.26 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1ieb s LEU 99 Cb -0.12 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1ieb s LEU 99 CO 0.18 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.59 1ieb n GLY 100 N 3.76 3.15 3.63 -3.19 0.00 0.32 -4.99 105.19 107.87 1ieb n GLY 100 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1ieb n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ieb s GLU 101 N -0.40 4.12 0.28 1.61 -1.05 -1.18 -4.81 118.70 117.27 1ieb s GLU 101 Ca 0.00 0.44 -0.27 0.00 -0.15 0.00 0.00 54.97 54.99 1ieb s GLU 101 Cb 0.00 -3.62 -0.15 0.00 -0.44 0.00 0.00 34.13 29.92 1ieb s GLU 101 CO 0.00 -0.31 0.75 -0.35 0.95 0.00 0.00 175.26 176.30 1ieb n PRO 102 N 5.36 0.72 -1.50 -4.83 -0.04 -1.26 -4.36 135.00 129.09 1ieb n PRO 102 Ca -0.03 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ieb n PRO 102 Cb 0.50 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1ieb n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ieb n ASN 103 N 1.53 0.00 -3.81 3.54 2.85 -0.87 -4.99 115.26 113.50 1ieb n ASN 103 Ca 0.13 -0.94 -0.12 0.00 -0.11 0.00 0.00 54.58 53.54 1ieb n ASN 103 Cb 0.31 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.20 1ieb n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ieb s ILE 104 N -2.37 -0.00 -0.23 -1.44 1.01 -1.26 -2.24 121.20 114.66 1ieb s ILE 104 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1ieb s ILE 104 Cb 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 1ieb s ILE 104 CO 0.00 0.01 0.13 -0.76 0.00 0.00 0.00 174.94 174.32 1ieb s LEU 105 N 0.16 3.99 -0.20 2.97 1.43 0.34 -0.75 118.68 126.63 1ieb s LEU 105 Ca -0.01 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1ieb s LEU 105 Cb -0.02 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1ieb s LEU 105 CO -0.00 0.07 0.42 -0.63 0.23 0.00 0.00 176.35 176.44 1ieb s ILE 106 N 1.01 5.19 -0.45 -0.59 1.01 0.15 -1.96 121.20 125.56 1ieb s ILE 106 Ca 0.07 0.75 -0.07 0.00 0.00 0.00 0.00 60.65 61.39 1ieb s ILE 106 Cb -0.14 -3.75 0.12 0.00 0.01 0.00 0.00 42.46 38.70 1ieb s ILE 106 CO 0.04 0.25 0.30 0.00 0.00 0.00 0.00 174.94 175.52 1ieb s PHE 108 N 1.28 3.02 -0.24 0.00 5.36 -0.94 -1.04 117.98 125.42 1ieb s PHE 108 Ca 0.07 -0.73 -0.18 0.00 -0.96 0.00 0.00 56.93 55.13 1ieb s PHE 108 Cb -0.25 -3.76 -0.03 0.00 -0.34 0.00 0.00 43.02 38.65 1ieb s PHE 108 CO -0.02 -1.16 0.53 0.42 -1.46 0.00 0.00 175.22 173.53 1ieb s ILE 109 N 2.67 5.07 0.15 3.12 1.09 -0.87 -2.72 121.20 129.72 1ieb s ILE 109 Ca 0.14 0.93 0.06 0.00 -1.10 0.00 0.00 60.65 60.67 1ieb s ILE 109 Cb -0.21 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1ieb s ILE 109 CO 0.09 0.11 -0.13 -0.62 -0.10 0.00 0.00 174.94 174.29 1ieb s ASP 110 N 1.41 2.06 -1.59 3.58 2.15 0.12 -0.37 116.67 124.02 1ieb s ASP 110 Ca 0.22 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 1ieb s ASP 110 Cb -0.16 -0.07 0.01 0.00 -0.30 0.00 0.00 42.92 42.40 1ieb s ASP 110 CO 0.09 -0.20 0.18 0.29 -0.17 0.00 0.00 175.17 175.36 1ieb n LYS 111 N 0.13 -2.69 -3.71 4.34 5.02 -0.35 -0.29 118.16 120.62 1ieb n LYS 111 Ca -0.12 0.89 -0.22 0.00 -2.02 0.00 0.00 58.31 56.84 1ieb n LYS 111 Cb 0.59 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.96 1ieb n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ieb s PHE 112 N -3.01 2.48 0.00 2.13 -0.12 -0.58 -4.62 117.98 114.27 1ieb s PHE 112 Ca 0.10 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.41 1ieb s PHE 112 Cb -0.05 -2.09 0.00 0.00 -0.63 0.00 0.00 43.02 40.25 1ieb s PHE 112 CO 0.12 -0.15 0.00 0.45 -0.05 0.00 0.00 175.22 175.59 1ieb n SER 113 N -1.54 0.00 -4.49 1.98 2.88 -1.05 -0.84 113.62 110.55 1ieb n SER 113 Ca 0.02 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.26 1ieb n SER 113 Cb 0.63 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.28 1ieb n SER 113 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ieb n PRO 114 N -0.09 -1.36 -2.59 -1.46 -0.04 -1.26 -0.32 135.00 127.89 1ieb n PRO 114 Ca 0.00 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.67 1ieb n PRO 114 Cb 0.00 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1ieb n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ieb n PRO 115 N -3.70 3.21 -3.64 0.54 -0.04 -1.26 -4.81 135.00 125.30 1ieb n PRO 115 Ca 0.06 -3.34 -0.05 0.00 -0.04 0.00 0.00 63.50 60.13 1ieb n PRO 115 Cb 0.55 -3.40 -0.07 0.00 -0.04 0.00 0.00 33.50 30.54 1ieb n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ieb s VAL 116 N 3.67 -0.00 0.12 0.52 -7.23 -1.26 -5.07 120.40 111.16 1ieb s VAL 116 Ca 0.52 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.57 1ieb s VAL 116 Cb 0.03 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.99 1ieb s VAL 116 CO 0.06 0.00 0.30 0.68 -0.31 0.00 0.00 175.10 175.82 1ieb s VAL 117 N 1.51 0.10 -0.25 1.32 -7.23 -1.26 -4.65 120.40 109.94 1ieb s VAL 117 Ca -0.10 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1ieb s VAL 117 Cb -0.04 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.58 1ieb s VAL 117 CO -0.18 -0.45 -0.06 0.20 -0.31 0.00 0.00 175.10 174.30 1ieb s ASN 118 N -2.86 4.04 -0.07 4.85 0.01 -0.39 -4.98 114.94 115.55 1ieb s ASN 118 Ca 0.06 -1.28 0.03 0.00 -0.71 0.00 0.00 52.86 50.97 1ieb s ASN 118 Cb 0.03 -1.29 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 1ieb s ASN 118 CO -0.09 -0.23 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.41 1ieb s VAL 119 N 1.30 2.84 -0.03 1.60 1.01 -1.25 -0.39 120.40 125.49 1ieb s VAL 119 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1ieb s VAL 119 Cb -0.19 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1ieb s VAL 119 CO -0.06 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1ieb s THR 120 N -0.38 0.71 -0.12 3.92 2.01 0.76 -4.92 115.64 117.61 1ieb s THR 120 Ca 0.04 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 1ieb s THR 120 Cb -0.12 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1ieb s THR 120 CO 0.02 0.24 0.23 0.26 -0.69 0.00 0.00 174.62 174.68 1ieb s TRP 121 N 0.43 3.56 -0.15 4.92 0.52 -1.26 0.80 118.94 127.76 1ieb s TRP 121 Ca -0.07 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.67 1ieb s TRP 121 Cb -0.11 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1ieb s TRP 121 CO 0.01 0.51 -0.17 -0.51 0.02 0.00 0.00 176.95 176.80 1ieb s LEU 122 N -0.39 1.86 -0.29 2.99 1.43 0.33 -0.26 118.68 124.35 1ieb s LEU 122 Ca 0.16 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1ieb s LEU 122 Cb -0.13 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1ieb s LEU 122 CO 0.05 -0.01 0.13 -0.60 0.23 0.00 0.00 176.35 176.15 1ieb s ARG 123 N 1.25 3.49 -1.49 1.70 3.52 0.15 -0.83 118.95 126.72 1ieb s ARG 123 Ca 0.01 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.88 1ieb s ARG 123 Cb -0.14 -3.51 0.07 0.00 -1.56 0.00 0.00 34.95 29.81 1ieb s ARG 123 CO -0.08 -0.33 1.01 0.09 -0.81 0.00 0.00 175.30 175.18 1ieb n ASN 124 N 4.97 -4.92 0.00 -2.12 3.02 0.73 -1.90 115.26 115.04 1ieb n ASN 124 Ca -0.14 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1ieb n ASN 124 Cb 0.50 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1ieb n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ieb n GLY 125 N -1.74 2.84 3.90 7.41 0.00 -1.26 -5.05 105.19 111.29 1ieb n GLY 125 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ieb n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ieb s ARG 126 N 0.00 3.62 0.25 1.61 1.81 -0.80 -4.96 118.95 120.49 1ieb s ARG 126 Ca 0.00 -0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.63 1ieb s ARG 126 Cb 0.00 -2.83 -0.09 0.00 -0.45 0.00 0.00 34.95 31.58 1ieb s ARG 126 CO 0.00 0.45 1.29 -2.14 -0.68 0.00 0.00 175.30 174.22 1ieb s PRO 127 N -2.75 4.40 -0.22 3.54 0.02 -1.26 -0.68 135.00 138.06 1ieb s PRO 127 Ca 0.41 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 1ieb s PRO 127 Cb -0.12 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 1ieb s PRO 127 CO 0.25 -0.19 -0.02 0.08 -0.33 0.00 0.00 177.00 176.79 1ieb s VAL 128 N -0.42 3.57 -0.11 3.83 1.01 0.64 -4.86 120.40 124.07 1ieb s VAL 128 Ca 0.53 -0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.23 1ieb s VAL 128 Cb -0.37 -2.63 -0.22 0.00 0.00 0.00 0.00 36.38 33.15 1ieb s VAL 128 CO 0.43 0.41 0.37 0.35 0.00 0.00 0.00 175.10 176.66 1ieb n THR 129 N 4.74 0.00 -3.76 3.92 -2.24 -1.26 -4.54 114.28 111.14 1ieb n THR 129 Ca -0.18 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1ieb n THR 129 Cb 0.51 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 1ieb n THR 129 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ieb s GLU 130 N -2.96 3.59 -0.42 -0.78 0.41 -1.26 -4.28 118.70 113.01 1ieb s GLU 130 Ca -0.04 0.04 -0.01 0.00 -0.41 0.00 0.00 54.97 54.55 1ieb s GLU 130 Cb 0.10 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 1ieb s GLU 130 CO 0.62 0.75 0.13 0.41 -0.49 0.00 0.00 175.26 176.68 1ieb n GLY 131 N 1.94 0.32 3.16 -1.39 0.00 -1.26 -4.82 105.19 103.15 1ieb n GLY 131 Ca -0.18 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1ieb n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ieb s VAL 132 N -2.62 1.28 0.10 1.61 -7.23 -1.26 -0.11 120.40 112.17 1ieb s VAL 132 Ca 0.06 -0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 59.21 1ieb s VAL 132 Cb -0.03 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.82 1ieb s VAL 132 CO 0.08 0.19 0.29 -0.94 -0.31 0.00 0.00 175.10 174.40 1ieb s SER 133 N -0.84 -0.05 0.08 4.85 1.04 -0.43 -4.99 113.70 113.36 1ieb s SER 133 Ca 0.05 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 1ieb s SER 133 Cb -0.07 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1ieb s SER 133 CO 0.01 -0.77 0.08 -1.83 0.98 0.00 0.00 173.24 171.71 1ieb s GLU 134 N -3.70 0.76 0.38 4.02 -1.05 -1.26 0.32 118.70 118.17 1ieb s GLU 134 Ca 0.03 -1.14 0.07 0.00 -0.15 0.00 0.00 54.97 53.78 1ieb s GLU 134 Cb 0.03 0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1ieb s GLU 134 CO -0.11 -0.20 0.51 0.95 0.95 0.00 0.00 175.26 177.36 1ieb s THR 135 N -3.91 3.48 0.57 1.83 -4.23 0.13 -5.00 115.64 108.51 1ieb s THR 135 Ca 0.09 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 59.48 1ieb s THR 135 Cb 0.06 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.86 1ieb s THR 135 CO -0.09 -0.07 0.58 1.33 -0.54 0.00 0.00 174.62 175.83 1ieb n VAL 136 N -1.74 0.00 -2.62 2.29 0.24 -1.26 -4.66 118.33 110.57 1ieb n VAL 136 Ca 0.04 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 1ieb n VAL 136 Cb 0.59 -1.30 -0.03 0.00 -1.47 0.00 0.00 33.84 31.63 1ieb n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ieb s PHE 137 N -2.12 2.68 0.26 6.34 0.08 -1.26 -4.64 117.98 119.32 1ieb s PHE 137 Ca 0.36 0.42 -0.25 0.00 0.12 0.00 0.00 56.93 57.58 1ieb s PHE 137 Cb -0.03 -4.43 -0.09 0.00 -0.57 0.00 0.00 43.02 37.90 1ieb s PHE 137 CO 0.27 -1.48 0.86 -0.51 -0.10 0.00 0.00 175.22 174.26 1ieb s LEU 138 N 4.70 4.44 0.87 -0.37 1.43 0.09 -4.93 118.68 124.92 1ieb s LEU 138 Ca 0.42 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 1ieb s LEU 138 Cb -0.08 -3.72 0.11 0.00 0.03 0.00 0.00 46.19 42.53 1ieb s LEU 138 CO 0.26 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 1ieb s PRO 139 N -1.73 1.46 0.35 1.29 0.04 -1.26 -2.25 135.00 132.91 1ieb s PRO 139 Ca 0.44 0.51 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1ieb s PRO 139 Cb -0.20 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1ieb s PRO 139 CO 0.25 -2.02 0.09 1.03 0.04 0.00 0.00 177.00 176.39 1ieb s ARG 140 N -5.16 1.74 0.19 4.56 0.52 -1.20 -4.68 118.95 114.93 1ieb s ARG 140 Ca 0.63 -2.01 -0.09 0.00 -0.52 0.00 0.00 55.73 53.74 1ieb s ARG 140 Cb -0.15 -0.71 0.09 0.00 0.52 0.00 0.00 34.95 34.70 1ieb s ARG 140 CO 0.54 -0.32 1.67 -0.44 0.02 0.00 0.00 175.30 176.78 1ieb h ASP 141 N 2.00 1.07 0.00 0.23 3.32 -1.98 -3.43 116.42 117.62 1ieb h ASP 141 Ca -0.38 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1ieb h ASP 141 Cb 1.26 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ieb h ASP 141 CO 0.64 1.08 0.00 -0.90 -1.72 0.00 0.00 179.24 178.33 1ieb n ASP 142 N -4.20 0.00 -0.21 6.45 5.68 -1.26 -4.97 116.55 118.04 1ieb n ASP 142 Ca 0.04 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.36 1ieb n ASP 142 Cb 0.32 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1ieb n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ieb n HIS 143 N 0.00 0.00 -2.68 2.11 1.44 -1.26 -5.03 115.22 109.80 1ieb n HIS 143 Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 1ieb n HIS 143 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1ieb n HIS 143 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ieb s LEU 144 N -0.84 3.31 0.26 2.39 1.43 -1.26 -4.99 118.68 118.98 1ieb s LEU 144 Ca 0.07 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.26 1ieb s LEU 144 Cb 0.05 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1ieb s LEU 144 CO 0.11 -1.10 -0.17 -0.36 0.23 0.00 0.00 176.35 175.06 1ieb s PHE 145 N -2.73 2.38 0.07 0.29 0.40 -0.02 -3.24 117.98 115.13 1ieb s PHE 145 Ca 0.57 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 1ieb s PHE 145 Cb -0.10 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1ieb s PHE 145 CO 0.38 0.65 -0.06 -0.98 0.70 0.00 0.00 175.22 175.91 1ieb s ARG 146 N -3.35 0.67 -0.27 0.44 1.70 -0.95 -1.21 118.95 115.99 1ieb s ARG 146 Ca 0.28 -1.08 -0.18 0.00 -0.47 0.00 0.00 55.73 54.29 1ieb s ARG 146 Cb -0.06 -0.18 0.07 0.00 -0.57 0.00 0.00 34.95 34.22 1ieb s ARG 146 CO 0.15 -0.00 0.67 0.21 -1.08 0.00 0.00 175.30 175.25 1ieb s LYS 147 N -2.91 0.72 -0.06 3.89 2.20 0.50 -0.73 119.74 123.35 1ieb s LYS 147 Ca 0.02 1.12 -0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1ieb s LYS 147 Cb -0.01 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1ieb s LYS 147 CO -0.03 -0.13 0.16 -0.06 -0.36 0.00 0.00 175.35 174.92 1ieb s PHE 148 N 1.24 3.57 -0.02 4.03 0.40 -1.26 -2.05 117.98 123.88 1ieb s PHE 148 Ca -0.07 0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.75 1ieb s PHE 148 Cb -0.05 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1ieb s PHE 148 CO -0.13 0.69 -0.19 -1.01 0.70 0.00 0.00 175.22 175.28 1ieb s HIS 149 N -1.18 1.69 0.08 0.36 3.76 -0.21 -0.69 115.29 119.10 1ieb s HIS 149 Ca 0.21 -0.35 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 1ieb s HIS 149 Cb -0.12 -1.10 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 1ieb s HIS 149 CO 0.12 -0.06 -0.15 0.71 -0.85 0.00 0.00 174.74 174.51 1ieb s TYR 150 N -0.35 1.32 -0.08 1.40 1.51 0.15 0.84 117.35 122.15 1ieb s TYR 150 Ca 0.05 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1ieb s TYR 150 Cb -0.08 -0.74 0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1ieb s TYR 150 CO -0.00 0.08 0.15 -1.17 -1.11 0.00 0.00 175.55 173.51 1ieb s LEU 151 N -1.77 0.32 -0.04 -1.29 2.96 -0.83 -1.32 118.68 116.72 1ieb s LEU 151 Ca -0.00 0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 1ieb s LEU 151 Cb -0.10 0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 1ieb s LEU 151 CO 0.03 -0.20 1.00 -0.89 -1.32 0.00 0.00 176.35 174.97 1ieb s THR 152 N 1.73 4.81 0.03 3.68 2.01 0.84 -0.50 115.64 128.24 1ieb s THR 152 Ca -0.03 2.03 -0.01 0.00 0.31 0.00 0.00 61.69 64.00 1ieb s THR 152 Cb -0.12 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1ieb s THR 152 CO -0.06 0.10 -0.02 0.72 -0.69 0.00 0.00 174.62 174.67 1ieb s PHE 153 N 1.37 0.34 -0.39 4.92 -0.71 -0.95 -4.91 117.98 117.65 1ieb s PHE 153 Ca 0.51 -0.69 -0.12 0.00 -1.04 0.00 0.00 56.93 55.59 1ieb s PHE 153 Cb -0.20 -0.25 0.03 0.00 -1.21 0.00 0.00 43.02 41.39 1ieb s PHE 153 CO 0.24 -0.25 0.23 -1.17 -1.34 0.00 0.00 175.22 172.93 1ieb s LEU 154 N -1.92 4.83 -0.79 -1.99 2.96 -1.26 -2.06 118.68 118.44 1ieb s LEU 154 Ca -0.09 -1.03 -0.25 0.00 -0.22 0.00 0.00 54.13 52.55 1ieb s LEU 154 Cb -0.04 -2.04 -0.18 0.00 0.50 0.00 0.00 46.19 44.43 1ieb s LEU 154 CO -0.04 -0.41 2.48 -2.65 -1.32 0.00 0.00 176.35 174.41 1ieb n PRO 155 N 5.02 0.44 -4.15 0.98 -0.02 -1.26 -4.85 135.00 131.16 1ieb n PRO 155 Ca -0.12 -0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 60.96 1ieb n PRO 155 Cb 0.46 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 1ieb n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ieb s SER 156 N 9.03 5.05 0.27 2.55 1.04 -1.26 -0.52 113.70 129.86 1ieb s SER 156 Ca 1.16 -0.28 0.25 0.00 0.48 0.00 0.00 55.95 57.56 1ieb s SER 156 Cb -0.66 -1.18 0.59 0.00 0.10 0.00 0.00 66.02 64.87 1ieb s SER 156 CO 0.36 0.09 1.66 0.71 0.98 0.00 0.00 173.24 177.04 1ieb h THR 157 N 2.38 0.00 0.00 2.02 1.35 -1.99 -3.34 112.91 113.33 1ieb h THR 157 Ca -0.47 -0.66 -0.16 0.00 -0.55 0.00 0.00 66.41 64.56 1ieb h THR 157 Cb 1.20 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 69.20 1ieb h THR 157 CO 0.60 0.00 -1.39 -0.67 -0.25 0.00 0.00 175.52 173.81 1ieb n ASP 158 N -2.53 0.87 -4.05 5.36 2.03 -1.26 -5.01 116.55 111.95 1ieb n ASP 158 Ca 0.05 0.38 -0.20 0.00 0.52 0.00 0.00 54.79 55.53 1ieb n ASP 158 Cb 0.47 0.16 0.11 0.00 -0.72 0.00 0.00 41.12 41.14 1ieb n ASP 158 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ieb n ASP 159 N -2.88 0.97 -3.55 1.67 8.00 -1.25 -5.07 116.55 114.44 1ieb n ASP 159 Ca -0.09 -1.87 -0.15 0.00 0.71 0.00 0.00 54.79 53.39 1ieb n ASP 159 Cb 0.83 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1ieb n ASP 159 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ieb s PHE 160 N -2.69 -0.56 0.10 1.24 -0.12 -1.26 -4.63 117.98 110.06 1ieb s PHE 160 Ca 0.57 1.03 0.05 0.00 -0.05 0.00 0.00 56.93 58.53 1ieb s PHE 160 Cb -0.03 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1ieb s PHE 160 CO 0.38 -0.48 -0.13 0.71 -0.05 0.00 0.00 175.22 175.65 1ieb s TYR 161 N -0.97 1.26 0.07 3.49 1.51 -0.11 -0.20 117.35 122.40 1ieb s TYR 161 Ca -0.06 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1ieb s TYR 161 Cb -0.01 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1ieb s TYR 161 CO 0.06 0.08 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.02 1ieb s ASP 162 N -2.26 0.79 -0.05 2.29 1.01 -0.01 0.24 116.67 118.67 1ieb s ASP 162 Ca 0.05 -0.87 0.05 0.00 0.71 0.00 0.00 52.55 52.48 1ieb s ASP 162 Cb -0.06 0.12 -0.00 0.00 1.01 0.00 0.00 42.92 43.99 1ieb s ASP 162 CO 0.02 -0.45 -0.18 0.00 0.21 0.00 0.00 175.17 174.77 1ieb s GLU 164 N 0.03 2.85 -0.14 0.00 2.56 0.24 -2.30 118.70 121.94 1ieb s GLU 164 Ca -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 54.97 53.97 1ieb s GLU 164 Cb -0.12 -2.81 -0.01 0.00 2.00 0.00 0.00 34.13 33.18 1ieb s GLU 164 CO 0.03 -0.33 -0.12 0.08 -0.56 0.00 0.00 175.26 174.36 1ieb s VAL 165 N 1.29 3.12 -0.12 3.70 1.01 0.97 -0.17 120.40 130.20 1ieb s VAL 165 Ca 0.01 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ieb s VAL 165 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1ieb s VAL 165 CO -0.08 0.51 -0.13 -0.62 0.00 0.00 0.00 175.10 174.79 1ieb s ASP 166 N 0.47 2.44 0.01 3.32 2.15 0.48 0.74 116.67 126.28 1ieb s ASP 166 Ca -0.09 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.49 1ieb s ASP 166 Cb -0.16 -1.05 -0.01 0.00 -0.30 0.00 0.00 42.92 41.41 1ieb s ASP 166 CO 0.04 -0.05 -0.04 -2.28 -0.17 0.00 0.00 175.17 172.67 1ieb s HIS 167 N 1.37 0.38 -1.12 -5.34 5.65 -1.26 -1.26 115.29 113.70 1ieb s HIS 167 Ca 0.01 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.14 1ieb s HIS 167 Cb -0.13 -0.24 0.00 0.00 -1.18 0.00 0.00 32.58 31.03 1ieb s HIS 167 CO -0.07 -0.04 0.26 0.91 -0.65 0.00 0.00 174.74 175.16 1ieb n TRP 168 N 2.60 0.00 -0.46 3.88 5.03 -1.26 0.03 117.44 127.26 1ieb n TRP 168 Ca -0.15 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.41 1ieb n TRP 168 Cb 0.58 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.90 1ieb n TRP 168 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1ieb n GLY 169 N -0.75 3.17 3.43 6.99 0.00 -1.26 -4.83 105.19 111.93 1ieb n GLY 169 Ca 0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1ieb n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ieb s LEU 170 N -1.51 2.70 0.15 0.99 1.43 0.10 -3.94 118.68 118.61 1ieb s LEU 170 Ca 0.10 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1ieb s LEU 170 Cb 0.09 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1ieb s LEU 170 CO 0.01 0.27 1.68 -0.08 0.23 0.00 0.00 176.35 178.46 1ieb h GLU 171 N 5.91 0.73 -4.00 1.70 4.57 -1.95 -3.44 114.58 118.11 1ieb h GLU 171 Ca -0.38 -0.15 -0.25 0.00 -1.18 0.00 0.00 59.36 57.40 1ieb h GLU 171 Cb 1.18 -0.11 -0.27 0.00 -0.16 0.00 0.00 28.75 29.39 1ieb h GLU 171 CO 0.52 0.68 -0.73 -1.83 -1.18 0.00 0.00 179.01 176.47 1ieb s GLU 172 N -5.46 0.21 0.32 1.92 -1.05 -1.26 -5.12 118.70 108.25 1ieb s GLU 172 Ca -0.13 -0.19 -0.27 0.00 -0.15 0.00 0.00 54.97 54.22 1ieb s GLU 172 Cb 0.11 -0.13 -0.13 0.00 -0.44 0.00 0.00 34.13 33.54 1ieb s GLU 172 CO 0.78 0.03 1.02 -2.30 0.95 0.00 0.00 175.26 175.74 1ieb n PRO 173 N 2.72 1.41 -3.15 -4.83 -0.02 -1.26 -4.94 135.00 124.93 1ieb n PRO 173 Ca -0.15 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 1ieb n PRO 173 Cb 0.58 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 1ieb n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ieb s LEU 174 N 0.20 4.32 -0.29 2.45 2.96 0.23 -4.88 118.68 123.66 1ieb s LEU 174 Ca 0.59 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.82 1ieb s LEU 174 Cb -0.66 -3.57 0.11 0.00 0.50 0.00 0.00 46.19 42.57 1ieb s LEU 174 CO 0.60 0.03 0.17 -0.60 -1.32 0.00 0.00 176.35 175.22 1ieb s ARG 175 N -2.05 0.23 -0.14 1.98 3.52 -1.26 -0.02 118.95 121.21 1ieb s ARG 175 Ca 0.43 -0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 55.33 1ieb s ARG 175 Cb -0.16 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.14 1ieb s ARG 175 CO 0.20 -1.03 0.64 0.15 -0.81 0.00 0.00 175.30 174.45 1ieb s LYS 176 N 2.11 4.31 -0.11 5.12 -0.14 -0.97 -4.86 119.74 125.20 1ieb s LYS 176 Ca 0.09 0.69 -0.08 0.00 -1.36 0.00 0.00 55.97 55.32 1ieb s LYS 176 Cb -0.16 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.44 1ieb s LYS 176 CO -0.35 -0.08 0.17 -0.08 -0.76 0.00 0.00 175.35 174.25 1ieb s THR 177 N 1.35 5.46 0.17 2.17 -1.32 -1.26 -1.87 115.64 120.35 1ieb s THR 177 Ca 0.32 0.27 0.10 0.00 -1.21 0.00 0.00 61.69 61.16 1ieb s THR 177 Cb -0.16 -3.43 -0.04 0.00 -1.51 0.00 0.00 72.50 67.35 1ieb s THR 177 CO 0.13 0.61 -0.21 0.86 -2.21 0.00 0.00 174.62 173.80 1ieb s TRP 178 N -1.01 2.02 -0.29 9.09 -0.00 0.14 -4.96 118.94 123.92 1ieb s TRP 178 Ca 0.16 -0.42 -0.19 0.00 -0.00 0.00 0.00 56.10 55.65 1ieb s TRP 178 Cb -0.12 -1.01 0.18 0.00 -0.00 0.00 0.00 33.47 32.51 1ieb s TRP 178 CO 0.05 0.40 1.19 -2.00 -0.00 0.00 0.00 176.95 176.58 1ieb s GLU 179 N -2.69 0.20 0.36 5.86 2.12 -1.26 -0.93 118.70 122.35 1ieb s GLU 179 Ca 0.17 0.31 -0.25 0.00 0.36 0.00 0.00 54.97 55.56 1ieb s GLU 179 Cb -0.07 0.06 -0.13 0.00 0.26 0.00 0.00 34.13 34.25 1ieb s GLU 179 CO 0.08 -0.04 0.77 0.34 -0.54 0.00 0.00 175.26 175.87 1ieb n PHE 180 N 2.85 0.35 -3.58 5.30 7.35 -1.26 -4.99 117.46 123.48 1ieb n PHE 180 Ca -0.16 0.66 -0.20 0.00 -0.76 0.00 0.00 57.45 57.00 1ieb n PHE 180 Cb 0.57 -2.11 -0.15 0.00 0.35 0.00 0.00 39.48 38.14 1ieb n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1ieb s GLU 181 N -1.60 0.10 0.00 -4.13 4.04 -1.26 -5.10 118.70 110.75 1ieb s GLU 181 Ca 0.62 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.85 1ieb s GLU 181 Cb -0.66 -1.13 0.00 0.00 0.02 0.00 0.00 34.13 32.37 1ieb s GLU 181 CO 0.58 -0.56 0.00 -0.85 -1.84 0.00 0.00 175.26 172.60