#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aeo n THR 2 N 0.00 0.00 -4.11 0.00 -2.24 -1.26 -4.59 114.28 102.08 2aeo n THR 2 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 2aeo n THR 2 Cb 0.00 1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 2aeo n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2aeo s LYS 3 N -2.20 0.36 0.12 -0.78 1.02 -1.26 -0.95 119.74 116.05 2aeo s LYS 3 Ca 0.11 -0.17 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 2aeo s LYS 3 Cb 0.13 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.08 2aeo s LYS 3 CO 0.52 0.09 0.16 0.00 -0.92 0.00 0.00 175.35 175.20 2aeo s ALA 4 N -0.13 0.20 0.01 5.17 0.00 -0.53 -1.53 121.76 124.95 2aeo s ALA 4 Ca 0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 2aeo s ALA 4 Cb -0.02 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2aeo s ALA 4 CO -0.00 -0.53 0.26 0.54 0.00 0.00 0.00 175.76 176.03 2aeo s VAL 5 N -3.95 0.08 -0.06 0.00 0.11 0.15 -1.24 120.40 115.49 2aeo s VAL 5 Ca 0.13 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2aeo s VAL 5 Cb 0.05 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2aeo s VAL 5 CO -0.05 -0.36 0.14 0.00 -3.33 0.00 0.00 175.10 171.51 2aeo s VAL 7 N 1.24 5.12 -0.18 0.00 1.01 -1.26 -0.73 120.40 125.61 2aeo s VAL 7 Ca -0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2aeo s VAL 7 Cb -0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2aeo s VAL 7 CO -0.06 0.18 0.68 -0.76 0.00 0.00 0.00 175.10 175.15 2aeo s LEU 8 N 1.72 4.17 0.06 3.92 1.43 0.35 -3.85 118.68 126.48 2aeo s LEU 8 Ca 0.06 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2aeo s LEU 8 Cb -0.16 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 2aeo s LEU 8 CO 0.10 -0.28 -0.09 -0.54 0.23 0.00 0.00 176.35 175.76 2aeo s LYS 9 N 1.82 0.64 0.00 1.70 1.02 -0.02 -2.21 119.74 122.69 2aeo s LYS 9 Ca 0.32 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.42 2aeo s LYS 9 Cb -0.16 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 2aeo s LYS 9 CO 0.12 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 2aeo n GLY 10 N 1.19 3.94 0.05 -3.33 0.00 -1.23 -0.92 105.19 104.89 2aeo n GLY 10 Ca -0.21 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2aeo n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aeo n ASP 11 N -1.80 0.66 0.00 1.61 8.00 -1.26 -4.88 116.55 118.88 2aeo n ASP 11 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2aeo n ASP 11 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2aeo n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aeo n GLY 12 N 1.36 2.88 0.03 0.44 0.00 -1.26 -5.03 105.19 103.61 2aeo n GLY 12 Ca 0.03 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.23 2aeo n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aeo n PRO 13 N 0.00 0.33 -2.37 1.61 -0.04 -1.26 -4.87 135.00 128.40 2aeo n PRO 13 Ca 0.00 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 2aeo n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2aeo n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aeo s VAL 14 N -2.71 3.95 0.20 0.52 1.01 -1.26 -4.59 120.40 117.51 2aeo s VAL 14 Ca 0.23 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.42 2aeo s VAL 14 Cb 0.20 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2aeo s VAL 14 CO 0.50 0.06 0.48 0.00 0.00 0.00 0.00 175.10 176.15 2aeo s GLN 15 N 1.56 1.37 0.00 2.72 -2.07 -1.10 -3.56 119.66 118.57 2aeo s GLN 15 Ca 0.60 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2aeo s GLN 15 Cb -0.30 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 2aeo s GLN 15 CO 0.27 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 2aeo n GLY 16 N -0.32 -0.41 2.99 2.60 0.00 -0.94 -0.66 105.19 108.45 2aeo n GLY 16 Ca -0.09 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 2aeo n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aeo s THR 17 N -2.00 0.86 -0.11 2.61 -1.32 -0.59 -0.50 115.64 114.59 2aeo s THR 17 Ca 0.00 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 2aeo s THR 17 Cb 0.00 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.18 2aeo s THR 17 CO 0.00 0.28 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.94 2aeo s ILE 18 N 0.51 3.16 0.06 5.08 -1.09 0.09 -1.94 121.20 127.07 2aeo s ILE 18 Ca -0.09 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2aeo s ILE 18 Cb -0.12 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2aeo s ILE 18 CO 0.02 0.54 -0.07 -1.00 -1.23 0.00 0.00 174.94 173.20 2aeo s HIS 19 N 0.03 2.84 -0.02 3.97 3.76 0.28 -0.57 115.29 125.58 2aeo s HIS 19 Ca -0.04 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 2aeo s HIS 19 Cb -0.14 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.04 2aeo s HIS 19 CO 0.04 0.41 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.24 2aeo s PHE 20 N -1.15 0.56 -0.07 1.40 0.40 -0.37 -1.25 117.98 117.49 2aeo s PHE 20 Ca 0.21 -0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.39 2aeo s PHE 20 Cb -0.11 -0.44 0.04 0.00 0.51 0.00 0.00 43.02 43.02 2aeo s PHE 20 CO 0.12 -0.08 0.16 -2.00 0.70 0.00 0.00 175.22 174.13 2aeo s GLU 21 N 0.33 0.10 -0.01 0.44 2.12 -0.54 -1.46 118.70 119.69 2aeo s GLU 21 Ca -0.04 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 2aeo s GLU 21 Cb -0.08 -0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.08 2aeo s GLU 21 CO -0.00 -0.19 1.41 0.00 -0.54 0.00 0.00 175.26 175.93 2aeo s ALA 22 N 1.38 3.59 -0.07 6.30 0.00 -0.12 -0.60 121.76 132.24 2aeo s ALA 22 Ca -0.07 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2aeo s ALA 22 Cb -0.12 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2aeo s ALA 22 CO -0.06 -0.94 0.06 0.21 0.00 0.00 0.00 175.76 175.03 2aeo s LYS 23 N 2.48 0.03 5.31 0.00 2.20 -0.46 -4.95 119.74 124.35 2aeo s LYS 23 Ca 0.64 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 2aeo s LYS 23 Cb -0.31 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 2aeo s LYS 23 CO 0.26 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2aeo n GLY 24 N 5.28 3.27 2.16 5.54 0.00 -1.26 -1.00 105.19 119.18 2aeo n GLY 24 Ca -0.04 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2aeo n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2aeo n ASP 25 N 3.68 4.00 -4.47 1.61 3.85 -1.26 -4.95 116.55 119.01 2aeo n ASP 25 Ca 0.00 -3.52 -0.23 0.00 -0.71 0.00 0.00 54.79 50.33 2aeo n ASP 25 Cb 0.00 -0.83 -0.11 0.00 -1.35 0.00 0.00 41.12 38.83 2aeo n ASP 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2aeo s THR 26 N -3.20 1.64 -0.10 2.12 -4.23 -0.17 -4.56 115.64 107.14 2aeo s THR 26 Ca 0.54 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2aeo s THR 26 Cb 0.45 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 2aeo s THR 26 CO 0.09 -0.18 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.09 2aeo s VAL 27 N -3.00 2.25 -0.29 2.29 1.01 0.35 -1.35 120.40 121.66 2aeo s VAL 27 Ca 0.32 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 2aeo s VAL 27 Cb 0.06 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2aeo s VAL 27 CO 0.14 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.26 2aeo s VAL 28 N 0.28 4.87 -0.21 2.92 1.01 0.23 -1.41 120.40 128.09 2aeo s VAL 28 Ca -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2aeo s VAL 28 Cb -0.17 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2aeo s VAL 28 CO 0.08 0.20 -0.07 -0.69 0.00 0.00 0.00 175.10 174.61 2aeo s VAL 29 N 1.68 3.16 0.22 2.92 1.01 0.76 -1.46 120.40 128.69 2aeo s VAL 29 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 2aeo s VAL 29 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2aeo s VAL 29 CO 0.08 0.45 0.11 0.42 0.00 0.00 0.00 175.10 176.16 2aeo s THR 30 N 1.34 0.22 -4.64 3.92 -4.23 -0.38 -0.64 115.64 111.24 2aeo s THR 30 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2aeo s THR 30 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2aeo s THR 30 CO -0.04 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2aeo n GLY 31 N -0.34 0.95 3.27 3.99 0.00 -1.02 -0.56 105.19 111.47 2aeo n GLY 31 Ca 0.01 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 2aeo n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aeo s SER 32 N -4.00 -0.18 -0.05 1.61 1.04 -0.82 -0.15 113.70 111.15 2aeo s SER 32 Ca 0.00 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2aeo s SER 32 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2aeo s SER 32 CO 0.00 -0.61 -0.03 -0.63 0.98 0.00 0.00 173.24 172.95 2aeo s ILE 33 N -2.35 0.47 0.33 -1.02 1.01 -0.09 -1.54 121.20 118.02 2aeo s ILE 33 Ca -0.06 -0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.61 2aeo s ILE 33 Cb -0.01 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 2aeo s ILE 33 CO -0.02 0.22 0.03 0.42 0.00 0.00 0.00 174.94 175.59 2aeo s THR 34 N 1.09 2.73 0.00 2.92 -4.23 0.17 -0.22 115.64 118.11 2aeo s THR 34 Ca -0.08 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2aeo s THR 34 Cb -0.14 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.88 2aeo s THR 34 CO -0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2aeo n GLY 35 N -0.98 0.57 3.87 3.99 0.00 -0.88 -2.73 105.19 109.03 2aeo n GLY 35 Ca -0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2aeo n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aeo s LEU 36 N 0.00 4.08 0.44 0.99 1.43 -0.59 -4.49 118.68 120.54 2aeo s LEU 36 Ca 0.00 1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.88 2aeo s LEU 36 Cb 0.00 -3.81 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 2aeo s LEU 36 CO 0.00 -0.16 1.12 0.42 0.23 0.00 0.00 176.35 177.95 2aeo s THR 37 N -1.96 3.37 0.41 5.49 -4.23 -1.26 -4.03 115.64 113.44 2aeo s THR 37 Ca 0.49 1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 61.79 2aeo s THR 37 Cb -0.11 -3.52 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 2aeo s THR 37 CO 0.22 -0.01 1.09 1.21 -0.54 0.00 0.00 174.62 176.59 2aeo n GLU 38 N -0.33 1.52 0.00 3.99 2.13 -1.26 -4.67 120.64 122.02 2aeo n GLU 38 Ca 0.06 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2aeo n GLU 38 Cb 0.49 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2aeo n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aeo n GLY 39 N 1.08 -0.45 3.81 8.31 0.00 -0.04 -4.92 105.19 112.98 2aeo n GLY 39 Ca 0.09 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 2aeo n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aeo s ASP 40 N -4.00 7.04 -0.03 1.61 1.11 -1.26 -0.96 116.67 120.17 2aeo s ASP 40 Ca 0.00 1.64 -0.01 0.00 0.18 0.00 0.00 52.55 54.36 2aeo s ASP 40 Cb 0.00 -2.51 0.03 0.00 1.07 0.00 0.00 42.92 41.51 2aeo s ASP 40 CO 0.00 -0.22 0.06 -1.00 1.18 0.00 0.00 175.17 175.19 2aeo s HIS 41 N -1.93 0.00 0.38 4.23 3.76 0.11 -2.90 115.29 118.95 2aeo s HIS 41 Ca 0.56 0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 55.44 2aeo s HIS 41 Cb -0.13 -0.28 -0.11 0.00 1.11 0.00 0.00 32.58 33.17 2aeo s HIS 41 CO 0.17 -0.13 1.08 0.41 -0.85 0.00 0.00 174.74 175.42 2aeo n GLY 42 N 4.53 -0.00 2.67 -2.22 0.00 -0.26 -1.37 105.19 108.54 2aeo n GLY 42 Ca -0.20 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2aeo n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aeo s PHE 43 N -1.20 -0.08 0.01 1.61 5.36 -0.58 0.21 117.98 123.32 2aeo s PHE 43 Ca 0.61 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 2aeo s PHE 43 Cb -0.58 -0.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.50 2aeo s PHE 43 CO 0.58 -0.73 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.57 2aeo s HIS 44 N 2.24 0.27 -0.22 10.12 3.76 -0.67 -2.60 115.29 128.19 2aeo s HIS 44 Ca 0.07 -0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 2aeo s HIS 44 Cb -0.15 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.36 2aeo s HIS 44 CO -0.23 -0.09 0.94 0.08 -0.85 0.00 0.00 174.74 174.59 2aeo s VAL 45 N -0.79 4.76 0.32 -0.90 1.01 0.43 -0.98 120.40 124.25 2aeo s VAL 45 Ca -0.07 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.75 2aeo s VAL 45 Cb -0.06 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2aeo s VAL 45 CO -0.00 -0.11 0.50 -1.00 0.00 0.00 0.00 175.10 174.49 2aeo s HIS 46 N 2.86 3.48 0.17 5.22 3.76 0.21 -1.31 115.29 129.69 2aeo s HIS 46 Ca 0.41 0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 55.45 2aeo s HIS 46 Cb -0.16 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.79 2aeo s HIS 46 CO 0.08 0.21 1.66 0.37 -0.85 0.00 0.00 174.74 176.21 2aeo h GLN 47 N 0.87 1.01 -6.26 1.40 4.15 -0.23 -2.70 115.11 113.35 2aeo h GLN 47 Ca -0.50 -0.28 -0.69 0.00 0.77 0.00 0.00 58.65 57.94 2aeo h GLN 47 Cb 1.22 -0.11 -0.28 0.00 0.21 0.00 0.00 27.48 28.53 2aeo h GLN 47 CO 0.61 0.96 -0.83 -0.06 -1.93 0.00 0.00 178.83 177.58 2aeo s PHE 48 N -5.16 2.54 -0.77 3.99 0.08 -0.43 -4.70 117.98 113.53 2aeo s PHE 48 Ca -0.12 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 2aeo s PHE 48 Cb 0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 2aeo s PHE 48 CO 0.84 -0.01 2.93 0.41 -0.10 0.00 0.00 175.22 179.28 2aeo n GLY 49 N 2.60 4.21 3.16 4.36 0.00 -0.86 -3.81 105.19 114.85 2aeo n GLY 49 Ca -0.17 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2aeo n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aeo s ASP 50 N 1.09 4.94 -0.22 1.61 -1.08 -1.26 -4.96 116.67 116.79 2aeo s ASP 50 Ca 0.62 -1.40 0.15 0.00 -0.52 0.00 0.00 52.55 51.40 2aeo s ASP 50 Cb 0.28 -1.73 0.60 0.00 -1.46 0.00 0.00 42.92 40.61 2aeo s ASP 50 CO -0.11 -0.30 1.52 -3.20 0.52 0.00 0.00 175.17 173.60 2aeo n ASN 51 N 4.61 4.10 -0.11 -0.34 5.15 -1.26 -2.84 115.26 124.57 2aeo n ASN 51 Ca -0.11 -3.12 0.01 0.00 -0.60 0.00 0.00 54.58 50.76 2aeo n ASN 51 Cb 0.43 -0.60 0.31 0.00 -0.53 0.00 0.00 39.78 39.39 2aeo n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2aeo h THR 52 N 2.11 1.16 -0.73 -0.44 1.35 -1.93 -1.65 112.91 112.79 2aeo h THR 52 Ca 0.06 -0.37 -0.51 0.00 -0.55 0.00 0.00 66.41 65.04 2aeo h THR 52 Cb 1.66 0.36 -0.35 0.00 -1.73 0.00 0.00 68.15 68.09 2aeo h THR 52 CO 0.35 0.17 -0.40 0.00 -0.25 0.00 0.00 175.52 175.39 2aeo n GLN 53 N -4.42 3.17 0.00 4.72 6.02 -1.26 -5.08 117.38 120.53 2aeo n GLN 53 Ca 0.05 -3.86 0.00 0.00 -0.01 0.00 0.00 57.00 53.18 2aeo n GLN 53 Cb 0.08 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.13 2aeo n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aeo n GLY 54 N -0.81 -0.98 0.26 1.08 0.00 -0.62 -3.99 105.19 100.13 2aeo n GLY 54 Ca 0.46 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 45.37 2aeo n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aeo h THR 56 N 0.00 1.09 0.00 0.00 2.02 -1.90 -1.81 112.91 112.31 2aeo h THR 56 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2aeo h THR 56 Cb 0.17 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2aeo h THR 56 CO 0.01 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 2aeo n SER 57 N -4.46 0.00 0.09 4.18 3.41 -0.96 -2.47 113.62 113.40 2aeo n SER 57 Ca 0.07 -0.88 0.11 0.00 -0.26 0.00 0.00 58.87 57.91 2aeo n SER 57 Cb 0.13 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.52 2aeo n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aeo n ALA 58 N -0.97 1.77 -0.28 7.33 0.00 -0.68 -4.44 120.51 123.24 2aeo n ALA 58 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2aeo n ALA 58 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2aeo n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aeo n GLY 59 N 0.23 -0.75 2.26 0.00 0.00 -1.03 -1.32 105.19 104.58 2aeo n GLY 59 Ca 0.03 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 2aeo n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aeo n PRO 60 N 0.00 -0.62 -1.73 1.61 -0.04 -1.26 -4.57 135.00 128.39 2aeo n PRO 60 Ca 0.00 -1.26 -0.42 0.00 -0.04 0.00 0.00 63.50 61.78 2aeo n PRO 60 Cb 0.00 -0.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 2aeo n PRO 60 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2aeo n HIS 61 N -2.95 2.70 -1.68 0.54 8.25 -1.26 -0.17 115.22 120.65 2aeo n HIS 61 Ca 0.10 0.32 -0.46 0.00 -0.26 0.00 0.00 57.72 57.42 2aeo n HIS 61 Cb 0.34 -2.56 -0.04 0.00 1.12 0.00 0.00 29.99 28.85 2aeo n HIS 61 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2aeo n PHE 62 N 1.85 2.42 -2.99 4.41 7.35 -0.43 -4.55 117.46 125.52 2aeo n PHE 62 Ca 0.08 -0.10 -0.14 0.00 -0.76 0.00 0.00 57.45 56.53 2aeo n PHE 62 Cb 0.36 -2.70 0.02 0.00 0.35 0.00 0.00 39.48 37.51 2aeo n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2aeo n ASN 63 N 6.42 -0.36 0.08 -2.13 5.15 -1.26 -1.59 115.26 121.56 2aeo n ASN 63 Ca 0.21 -3.23 0.11 0.00 -0.60 0.00 0.00 54.58 51.06 2aeo n ASN 63 Cb 0.33 0.35 0.44 0.00 -0.53 0.00 0.00 39.78 40.38 2aeo n ASN 63 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2aeo n PRO 64 N 0.27 0.13 -0.15 1.20 -0.04 -1.26 -1.74 135.00 133.42 2aeo n PRO 64 Ca 0.17 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 2aeo n PRO 64 Cb 0.69 -1.73 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 2aeo n PRO 64 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aeo n LEU 65 N -1.97 2.43 -3.78 1.53 4.77 -1.26 -4.98 117.00 113.74 2aeo n LEU 65 Ca 0.03 -1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 54.65 2aeo n LEU 65 Cb 0.26 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2aeo n LEU 65 CO 0.20 0.53 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.47 2aeo n SER 66 N 0.83 -3.48 -4.87 -1.43 7.64 -0.71 -5.00 113.62 106.60 2aeo n SER 66 Ca 0.17 -1.01 -0.26 0.00 1.01 0.00 0.00 58.87 58.78 2aeo n SER 66 Cb 0.44 -3.27 -0.02 0.00 -1.01 0.00 0.00 64.21 60.34 2aeo n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2aeo s LYS 67 N -6.20 2.28 0.67 1.43 1.02 -1.26 -5.14 119.74 112.53 2aeo s LYS 67 Ca 0.30 -1.97 -0.06 0.00 0.02 0.00 0.00 55.97 54.27 2aeo s LYS 67 Cb -0.11 -2.07 0.05 0.00 -0.52 0.00 0.00 37.83 35.17 2aeo s LYS 67 CO 0.87 -0.48 0.98 0.15 -0.92 0.00 0.00 175.35 175.95 2aeo s LYS 68 N -4.18 2.39 0.27 1.68 1.02 -1.26 -4.76 119.74 114.90 2aeo s LYS 68 Ca 0.35 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 2aeo s LYS 68 Cb -0.01 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 2aeo s LYS 68 CO 0.21 -1.08 1.13 -1.58 -0.92 0.00 0.00 175.35 173.11 2aeo s HIS 69 N -3.16 3.51 0.00 3.18 5.65 -0.45 -2.99 115.29 121.02 2aeo s HIS 69 Ca 0.58 1.63 0.00 0.00 0.25 0.00 0.00 55.06 57.52 2aeo s HIS 69 Cb -0.11 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 27.95 2aeo s HIS 69 CO 0.45 -0.77 0.00 0.41 -0.65 0.00 0.00 174.74 174.17 2aeo n GLY 70 N 1.33 3.23 3.89 1.59 0.00 -1.23 -4.35 105.19 109.64 2aeo n GLY 70 Ca -0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 2aeo n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aeo s GLY 71 N -0.77 1.61 0.57 -0.02 0.00 -1.16 -4.66 107.32 102.88 2aeo s GLY 71 Ca 0.00 -0.30 0.25 0.00 0.00 0.00 0.00 44.72 44.67 2aeo s GLY 71 CO 0.00 -0.03 2.18 -0.56 0.00 0.00 0.00 173.10 174.69 2aeo h PRO 72 N -0.24 0.00 0.00 2.90 0.13 -1.87 -0.52 132.00 132.39 2aeo h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2aeo h PRO 72 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aeo h PRO 72 CO 0.62 0.00 -0.01 1.63 -0.23 0.00 0.00 178.00 180.01 2aeo n LYS 73 N -4.08 0.07 -3.03 0.86 5.02 -1.26 -4.90 118.16 110.84 2aeo n LYS 73 Ca -0.01 0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2aeo n LYS 73 Cb 0.16 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 2aeo n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aeo s ASP 74 N -3.40 7.06 0.04 4.39 1.01 -0.21 -5.00 116.67 120.57 2aeo s ASP 74 Ca 0.13 1.49 -0.21 0.00 0.71 0.00 0.00 52.55 54.67 2aeo s ASP 74 Cb 0.17 -2.45 -0.14 0.00 1.01 0.00 0.00 42.92 41.51 2aeo s ASP 74 CO 0.55 -0.05 1.38 -0.08 0.21 0.00 0.00 175.17 177.19 2aeo h GLU 75 N 3.10 0.30 -6.33 8.23 4.81 -1.90 -3.37 114.58 119.41 2aeo h GLU 75 Ca -0.48 -0.14 -0.54 0.00 -0.13 0.00 0.00 59.36 58.08 2aeo h GLU 75 Cb 1.19 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2aeo h GLU 75 CO 0.65 0.64 1.09 -2.00 -0.73 0.00 0.00 179.01 178.66 2aeo s GLU 76 N -4.51 3.18 0.17 1.92 2.56 -1.26 -4.95 118.70 115.81 2aeo s GLU 76 Ca -0.14 -0.23 -0.22 0.00 0.00 0.00 0.00 54.97 54.38 2aeo s GLU 76 Cb 0.05 -4.22 0.06 0.00 2.00 0.00 0.00 34.13 32.02 2aeo s GLU 76 CO 0.74 -2.18 0.59 -0.98 -0.56 0.00 0.00 175.26 172.86 2aeo s ARG 77 N 5.78 1.30 0.40 4.30 1.70 -1.16 -3.50 118.95 127.77 2aeo s ARG 77 Ca 0.37 -0.54 -0.22 0.00 -0.47 0.00 0.00 55.73 54.88 2aeo s ARG 77 Cb -0.08 0.58 -0.11 0.00 -0.57 0.00 0.00 34.95 34.77 2aeo s ARG 77 CO 0.15 -0.57 0.93 -1.01 -1.08 0.00 0.00 175.30 173.72 2aeo s HIS 78 N -3.77 3.39 0.28 5.89 3.76 -1.20 -4.64 115.29 119.01 2aeo s HIS 78 Ca 0.02 1.61 0.02 0.00 -0.15 0.00 0.00 55.06 56.56 2aeo s HIS 78 Cb -0.01 -2.84 0.59 0.00 1.11 0.00 0.00 32.58 31.43 2aeo s HIS 78 CO -0.11 -0.03 1.81 0.28 -0.85 0.00 0.00 174.74 175.84 2aeo h VAL 79 N 2.06 0.84 0.00 -0.90 2.07 -1.87 -1.87 116.25 116.59 2aeo h VAL 79 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2aeo h VAL 79 Cb 1.18 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2aeo h VAL 79 CO 0.62 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2aeo n GLY 80 N -1.34 -0.64 3.50 2.17 0.00 -0.62 -4.44 105.19 103.82 2aeo n GLY 80 Ca 0.20 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2aeo n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aeo s ASP 81 N -1.83 6.39 -0.05 1.61 1.01 -0.70 -0.43 116.67 122.67 2aeo s ASP 81 Ca 0.22 -1.31 0.17 0.00 0.71 0.00 0.00 52.55 52.34 2aeo s ASP 81 Cb 0.10 -2.48 0.56 0.00 1.01 0.00 0.00 42.92 42.11 2aeo s ASP 81 CO 0.17 -1.43 1.47 0.18 0.21 0.00 0.00 175.17 175.78 2aeo n LEU 82 N 8.01 3.89 0.00 1.23 4.77 -1.07 -3.59 117.00 130.24 2aeo n LEU 82 Ca 0.15 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2aeo n LEU 82 Cb 0.49 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2aeo n LEU 82 CO 0.62 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 2aeo n GLY 83 N 0.97 0.38 3.28 -0.72 0.00 -1.22 -4.81 105.19 103.07 2aeo n GLY 83 Ca 0.21 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2aeo n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aeo s ASN 84 N -4.00 2.86 0.11 1.61 0.01 -1.26 -1.52 114.94 112.75 2aeo s ASN 84 Ca 0.00 -0.45 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 2aeo s ASN 84 Cb 0.00 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2aeo s ASN 84 CO 0.00 0.29 0.23 0.68 -1.51 0.00 0.00 177.10 176.80 2aeo s VAL 85 N -0.59 5.24 -0.22 1.60 -7.23 -0.47 -4.90 120.40 113.83 2aeo s VAL 85 Ca 0.09 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 2aeo s VAL 85 Cb -0.09 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.25 2aeo s VAL 85 CO -0.01 0.01 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.76 2aeo s THR 86 N -1.64 2.26 0.06 5.32 2.01 -1.26 -0.71 115.64 121.69 2aeo s THR 86 Ca 0.34 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 2aeo s THR 86 Cb -0.12 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 2aeo s THR 86 CO 0.28 0.26 0.61 0.00 -0.69 0.00 0.00 174.62 175.08 2aeo s ALA 87 N 1.23 3.53 0.89 7.40 0.00 -0.14 -4.22 121.76 130.45 2aeo s ALA 87 Ca -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 2aeo s ALA 87 Cb -0.16 -2.72 0.09 0.00 0.00 0.00 0.00 23.12 20.33 2aeo s ALA 87 CO -0.08 0.31 0.57 -0.40 0.00 0.00 0.00 175.76 176.15 2aeo n ASP 88 N 2.02 0.19 0.32 0.00 5.68 -0.20 -0.86 116.55 123.69 2aeo n ASP 88 Ca -0.08 -1.29 0.21 0.00 -0.50 0.00 0.00 54.79 53.12 2aeo n ASP 88 Cb 0.50 -0.42 1.08 0.00 -1.14 0.00 0.00 41.12 41.15 2aeo n ASP 88 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2aeo h LYS 89 N 0.00 0.00 -0.01 0.11 1.57 -1.96 -1.30 116.57 114.98 2aeo h LYS 89 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2aeo h LYS 89 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2aeo h LYS 89 CO 0.14 0.01 -0.02 0.09 -0.57 0.00 0.00 179.45 179.10 2aeo n ASN 90 N -3.15 1.39 0.00 0.86 3.02 -1.26 -4.88 115.26 111.24 2aeo n ASN 90 Ca -0.02 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 2aeo n ASN 90 Cb 0.13 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2aeo n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aeo n GLY 91 N 1.18 0.66 3.54 7.41 0.00 -0.49 -4.72 105.19 112.77 2aeo n GLY 91 Ca 0.19 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2aeo n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aeo s VAL 92 N -2.00 4.29 -0.14 1.61 1.01 -1.26 -1.54 120.40 122.38 2aeo s VAL 92 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2aeo s VAL 92 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2aeo s VAL 92 CO 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 2aeo s ALA 93 N 0.58 2.55 -0.17 5.51 0.00 0.70 -1.04 121.76 129.89 2aeo s ALA 93 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 2aeo s ALA 93 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2aeo s ALA 93 CO 0.02 0.14 0.46 0.42 0.00 0.00 0.00 175.76 176.80 2aeo s ILE 94 N 0.54 5.17 -0.21 0.00 -1.09 -1.26 -0.91 121.20 123.43 2aeo s ILE 94 Ca -0.09 0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 59.05 2aeo s ILE 94 Cb -0.16 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2aeo s ILE 94 CO 0.04 0.25 0.28 -0.69 -1.23 0.00 0.00 174.94 173.60 2aeo s VAL 95 N 1.18 5.28 -0.35 2.92 1.01 0.78 -4.73 120.40 126.49 2aeo s VAL 95 Ca 0.23 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2aeo s VAL 95 Cb -0.15 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.76 2aeo s VAL 95 CO 0.09 0.31 0.37 -0.62 0.00 0.00 0.00 175.10 175.25 2aeo s ASP 96 N 0.97 1.12 -0.01 3.32 2.15 -1.23 -2.45 116.67 120.54 2aeo s ASP 96 Ca 0.14 -1.31 0.06 0.00 0.43 0.00 0.00 52.55 51.87 2aeo s ASP 96 Cb -0.14 0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2aeo s ASP 96 CO 0.06 -0.29 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.96 2aeo s ILE 97 N 1.71 1.43 -0.15 4.11 1.01 0.19 -5.00 121.20 124.49 2aeo s ILE 97 Ca 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2aeo s ILE 97 Cb -0.14 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.15 2aeo s ILE 97 CO -0.11 0.38 -0.16 -0.69 0.00 0.00 0.00 174.94 174.35 2aeo s VAL 98 N -0.46 1.70 -0.04 2.92 1.01 -1.26 -0.17 120.40 124.10 2aeo s VAL 98 Ca 0.07 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2aeo s VAL 98 Cb -0.07 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2aeo s VAL 98 CO -0.00 0.48 -0.11 -0.62 0.00 0.00 0.00 175.10 174.85 2aeo s ASP 99 N 1.35 1.50 0.33 3.32 2.15 -0.50 -4.97 116.67 119.84 2aeo s ASP 99 Ca 0.03 -0.24 0.21 0.00 0.43 0.00 0.00 52.55 52.98 2aeo s ASP 99 Cb -0.13 -0.54 0.18 0.00 -0.30 0.00 0.00 42.92 42.13 2aeo s ASP 99 CO -0.10 0.05 1.38 1.55 -0.17 0.00 0.00 175.17 177.89 2aeo h PRO 100 N 6.65 0.00 0.02 4.34 0.13 -1.87 0.10 132.00 141.37 2aeo h PRO 100 Ca -0.33 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.58 2aeo h PRO 100 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2aeo h PRO 100 CO 0.48 0.09 -1.20 1.25 -0.23 0.00 0.00 178.00 178.39 2aeo h LEU 101 N 0.00 0.07-10.26 1.56 6.46 -1.93 -3.44 115.31 107.77 2aeo h LEU 101 Ca -0.01 -0.63 -0.52 0.00 -0.12 0.00 0.00 57.88 56.59 2aeo h LEU 101 Cb 1.09 -0.02 0.19 0.00 -0.73 0.00 0.00 40.66 41.19 2aeo h LEU 101 CO 0.01 1.48 0.25 0.27 -0.62 0.00 0.00 178.44 179.83 2aeo s ILE 102 N -2.37 2.08 0.09 4.05 -4.36 -1.26 -4.85 121.20 114.57 2aeo s ILE 102 Ca -0.26 0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 2aeo s ILE 102 Cb 0.05 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.65 2aeo s ILE 102 CO 0.63 -0.03 0.26 -0.55 0.24 0.00 0.00 174.94 175.49 2aeo s SER 103 N -2.60 -0.01 0.00 4.36 0.15 -1.08 -4.46 113.70 110.07 2aeo s SER 103 Ca 0.68 -0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.00 2aeo s SER 103 Cb -0.24 0.38 0.35 0.00 -1.71 0.00 0.00 66.02 64.80 2aeo s SER 103 CO 0.57 -0.74 1.27 0.18 1.20 0.00 0.00 173.24 175.71 2aeo n LEU 104 N -0.00 3.08 -3.60 3.45 4.77 -1.26 -0.88 117.00 122.55 2aeo n LEU 104 Ca -0.16 -1.62 -0.12 0.00 -0.03 0.00 0.00 56.01 54.08 2aeo n LEU 104 Cb 0.62 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2aeo n LEU 104 CO 0.21 0.70 0.22 -0.94 -1.33 0.00 0.00 177.39 176.25 2aeo s SER 105 N -1.17 -0.34 0.12 -1.43 1.04 -1.26 -4.40 113.70 106.26 2aeo s SER 105 Ca 0.30 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2aeo s SER 105 Cb 0.17 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2aeo s SER 105 CO 0.24 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2aeo n GLY 106 N 0.06 -1.48 0.37 7.32 0.00 -1.26 -4.05 105.19 106.15 2aeo n GLY 106 Ca -0.17 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.58 2aeo n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aeo h GLU 107 N 0.00 1.07 -0.65 1.61 4.81 -2.01 -1.84 114.58 117.58 2aeo h GLU 107 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2aeo h GLU 107 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 2aeo h GLU 107 CO 0.00 0.71 0.00 0.66 -0.73 0.00 0.00 179.01 179.65 2aeo n TYR 108 N -4.48 1.56 -1.82 0.92 4.01 -1.26 -4.99 117.16 111.10 2aeo n TYR 108 Ca 0.14 -0.56 -0.41 0.00 -0.16 0.00 0.00 57.90 56.91 2aeo n TYR 108 Cb 0.17 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 38.83 2aeo n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aeo s SER 109 N -0.70 6.37 0.00 7.72 0.15 -0.69 -2.64 113.70 123.91 2aeo s SER 109 Ca 0.44 3.01 0.19 0.00 0.70 0.00 0.00 55.95 60.29 2aeo s SER 109 Cb 0.32 -2.66 0.27 0.00 -1.71 0.00 0.00 66.02 62.24 2aeo s SER 109 CO 0.16 -0.86 1.21 2.30 1.20 0.00 0.00 173.24 177.24 2aeo n ILE 110 N 0.80 0.34 -1.89 6.45 -5.35 -0.06 -4.89 119.36 114.75 2aeo n ILE 110 Ca 0.02 -0.67 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 2aeo n ILE 110 Cb 0.39 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 2aeo n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2aeo s ILE 111 N -1.38 2.76 0.00 7.28 -1.09 -1.26 -1.63 121.20 125.88 2aeo s ILE 111 Ca 0.28 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 2aeo s ILE 111 Cb 0.17 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2aeo s ILE 111 CO 0.25 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 2aeo n GLY 112 N 3.94 0.76 0.46 6.18 0.00 0.66 -5.01 105.19 112.18 2aeo n GLY 112 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2aeo n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aeo n ARG 113 N -2.03 1.02 -4.77 1.61 1.74 -0.64 -2.02 116.66 111.57 2aeo n ARG 113 Ca 0.00 -0.37 -0.31 0.00 -0.77 0.00 0.00 57.85 56.40 2aeo n ARG 113 Cb 0.00 -0.02 -0.17 0.00 -1.02 0.00 0.00 32.46 31.26 2aeo n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2aeo s THR 114 N 0.44 1.92 -0.06 0.55 2.01 -1.02 0.33 115.64 119.81 2aeo s THR 114 Ca 0.07 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 2aeo s THR 114 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2aeo s THR 114 CO 0.04 0.52 0.67 -0.32 -0.69 0.00 0.00 174.62 174.85 2aeo s MET 115 N 0.72 4.42 -0.05 4.92 1.75 -0.70 0.68 119.30 131.04 2aeo s MET 115 Ca -0.10 0.83 0.03 0.00 -1.25 0.00 0.00 55.69 55.20 2aeo s MET 115 Cb -0.16 -3.43 0.01 0.00 2.84 0.00 0.00 34.83 34.08 2aeo s MET 115 CO 0.01 0.11 -0.14 0.08 -0.65 0.00 0.00 175.02 174.44 2aeo s VAL 116 N 0.64 1.20 -0.12 10.11 1.01 -0.15 -2.20 120.40 130.88 2aeo s VAL 116 Ca 0.36 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2aeo s VAL 116 Cb -0.18 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2aeo s VAL 116 CO 0.17 0.36 0.01 0.54 0.00 0.00 0.00 175.10 176.18 2aeo s VAL 117 N 0.34 4.32 0.24 2.92 0.11 -0.75 -1.67 120.40 125.92 2aeo s VAL 117 Ca -0.09 -0.22 0.06 0.00 -2.93 0.00 0.00 61.98 58.80 2aeo s VAL 117 Cb -0.13 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 2aeo s VAL 117 CO 0.03 0.55 0.23 -1.00 -3.33 0.00 0.00 175.10 171.57 2aeo s HIS 118 N -0.30 3.19 0.19 1.54 3.76 0.13 -1.59 115.29 122.22 2aeo s HIS 118 Ca 0.06 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.78 2aeo s HIS 118 Cb -0.12 -1.45 0.20 0.00 1.11 0.00 0.00 32.58 32.31 2aeo s HIS 118 CO 0.02 0.50 1.75 1.49 -0.85 0.00 0.00 174.74 177.65 2aeo h GLU 119 N 1.51 0.35 -5.72 1.40 4.81 -1.05 -3.37 114.58 112.50 2aeo h GLU 119 Ca -0.49 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.12 2aeo h GLU 119 Cb 1.23 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 2aeo h GLU 119 CO 0.61 0.23 -0.64 0.15 -0.73 0.00 0.00 179.01 178.63 2aeo s LYS 120 N -6.12 1.83 0.59 1.92 1.02 0.04 -4.91 119.74 114.11 2aeo s LYS 120 Ca -0.13 -1.99 -0.19 0.00 0.02 0.00 0.00 55.97 53.68 2aeo s LYS 120 Cb 0.15 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 2aeo s LYS 120 CO 0.73 0.03 1.25 -2.14 -0.92 0.00 0.00 175.35 174.30 2aeo s PRO 121 N -3.68 2.96 -0.29 -1.68 0.02 -1.14 -1.10 135.00 130.08 2aeo s PRO 121 Ca 0.33 1.95 -0.26 0.00 0.02 0.00 0.00 61.00 63.05 2aeo s PRO 121 Cb 0.06 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2aeo s PRO 121 CO 0.17 -1.25 0.90 0.34 -0.33 0.00 0.00 177.00 176.82 2aeo s ASP 122 N -1.42 6.82 0.00 2.53 -1.08 -1.26 -3.95 116.67 118.31 2aeo s ASP 122 Ca 0.77 0.93 0.14 0.00 -0.52 0.00 0.00 52.55 53.88 2aeo s ASP 122 Cb -0.34 -2.46 0.87 0.00 -1.46 0.00 0.00 42.92 39.52 2aeo s ASP 122 CO 0.37 -0.67 1.40 -0.90 0.52 0.00 0.00 175.17 175.89 2aeo n ASP 123 N 6.34 0.00 -1.75 -0.34 5.68 0.36 -4.88 116.55 121.97 2aeo n ASP 123 Ca 0.07 -1.10 -0.17 0.00 -0.50 0.00 0.00 54.79 53.09 2aeo n ASP 123 Cb 0.47 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 2aeo n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2aeo n LEU 124 N -0.79 -1.60 0.00 -2.12 4.77 -1.26 -1.95 117.00 114.04 2aeo n LEU 124 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2aeo n LEU 124 Cb 0.05 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 2aeo n LEU 124 CO 0.08 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 2aeo n GLY 125 N -0.96 0.88 1.65 -0.72 0.00 -1.24 -2.97 105.19 101.83 2aeo n GLY 125 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2aeo n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aeo n ARG 126 N -2.10 2.47 0.01 1.61 1.74 -0.82 -4.58 116.66 114.98 2aeo n ARG 126 Ca 0.00 -3.08 0.12 0.00 -0.77 0.00 0.00 57.85 54.13 2aeo n ARG 126 Cb 0.00 -2.02 0.29 0.00 -1.02 0.00 0.00 32.46 29.71 2aeo n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aeo n GLY 127 N -0.87 -1.31 2.09 -0.13 0.00 -1.26 -4.96 105.19 98.74 2aeo n GLY 127 Ca 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2aeo n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aeo n GLY 128 N 1.47 0.60 3.31 -0.02 0.00 -1.26 -5.00 105.19 104.30 2aeo n GLY 128 Ca 0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 2aeo n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aeo s ASN 129 N -2.94 0.09 0.18 1.61 2.20 -1.26 -5.06 114.94 109.75 2aeo s ASN 129 Ca 0.00 -1.23 -0.12 0.00 -0.94 0.00 0.00 52.86 50.57 2aeo s ASN 129 Cb 0.00 0.44 0.09 0.00 -2.00 0.00 0.00 41.25 39.78 2aeo s ASN 129 CO 0.00 -0.92 1.76 -0.08 -2.94 0.00 0.00 177.10 174.92 2aeo h GLU 130 N 2.53 0.90 -0.98 3.55 4.81 -2.00 -2.89 114.58 120.50 2aeo h GLU 130 Ca -0.33 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2aeo h GLU 130 Cb 1.25 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 2aeo h GLU 130 CO 0.48 0.73 0.64 1.49 -0.73 0.00 0.00 179.01 181.62 2aeo h GLU 131 N 0.86 1.24 -0.90 1.92 4.57 -2.00 -2.07 114.58 118.19 2aeo h GLU 131 Ca 0.21 -0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.47 2aeo h GLU 131 Cb 0.13 -0.28 -0.09 0.00 -0.16 0.00 0.00 28.75 28.34 2aeo h GLU 131 CO -0.03 0.82 0.50 1.03 -1.18 0.00 0.00 179.01 180.16 2aeo h SER 132 N 1.28 0.65 0.25 1.04 0.87 -1.84 0.89 113.55 116.68 2aeo h SER 132 Ca 0.38 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2aeo h SER 132 Cb -0.06 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2aeo h SER 132 CO -0.10 0.28 0.00 0.35 -0.53 0.00 0.00 176.83 176.83 2aeo n THR 133 N -4.81 0.19 -0.05 2.23 -2.24 -0.79 -2.18 114.28 106.64 2aeo n THR 133 Ca 0.18 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2aeo n THR 133 Cb 0.44 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2aeo n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aeo n LYS 134 N -1.17 0.22 0.00 -0.78 5.02 0.12 -1.34 118.16 120.22 2aeo n LYS 134 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2aeo n LYS 134 Cb 0.14 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2aeo n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2aeo n THR 135 N -3.39 0.00 -1.47 -0.18 -2.24 -0.11 -4.61 114.28 102.28 2aeo n THR 135 Ca -0.20 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 2aeo n THR 135 Cb 0.65 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.98 2aeo n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aeo n GLY 136 N 0.41 0.71 3.17 3.38 0.00 -0.93 -3.18 105.19 108.76 2aeo n GLY 136 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2aeo n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aeo n ASN 137 N 0.73 -4.30 0.00 1.61 3.02 -1.25 -0.49 115.26 114.58 2aeo n ASN 137 Ca -0.08 -0.29 0.13 0.00 -0.03 0.00 0.00 54.58 54.31 2aeo n ASN 137 Cb 0.33 -3.54 0.66 0.00 -0.61 0.00 0.00 39.78 36.62 2aeo n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aeo n ALA 138 N -3.37 2.32 -0.82 5.41 0.00 -1.19 -4.71 120.51 118.15 2aeo n ALA 138 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2aeo n ALA 138 Cb 0.57 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2aeo n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aeo n GLY 139 N 1.09 1.91 3.77 0.00 0.00 -1.26 -0.78 105.19 109.92 2aeo n GLY 139 Ca 0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2aeo n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aeo s SER 140 N -4.00 3.96 -0.48 1.61 1.04 -1.26 -4.61 113.70 109.96 2aeo s SER 140 Ca 0.00 1.28 -0.16 0.00 0.48 0.00 0.00 55.95 57.55 2aeo s SER 140 Cb 0.00 -1.96 0.07 0.00 0.10 0.00 0.00 66.02 64.22 2aeo s SER 140 CO 0.00 -2.30 0.43 -0.13 0.98 0.00 0.00 173.24 172.22 2aeo s ARG 141 N -5.12 3.00 0.15 4.02 0.52 -1.26 -1.17 118.95 119.10 2aeo s ARG 141 Ca 0.62 -1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 2aeo s ARG 141 Cb -0.16 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.18 2aeo s ARG 141 CO 0.55 -1.06 1.42 -0.07 0.02 0.00 0.00 175.30 176.17 2aeo h LEU 142 N 8.91 0.77 -7.00 2.53 3.38 -1.60 -3.47 115.31 118.82 2aeo h LEU 142 Ca -0.28 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.26 2aeo h LEU 142 Cb 1.11 -0.22 -0.19 0.00 0.09 0.00 0.00 40.66 41.45 2aeo h LEU 142 CO 0.89 1.21 0.35 0.00 0.09 0.00 0.00 178.44 180.98 2aeo s ALA 143 N -3.92 -1.81 0.26 1.53 0.00 -1.22 -4.05 121.76 112.55 2aeo s ALA 143 Ca -0.09 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 2aeo s ALA 143 Cb 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2aeo s ALA 143 CO 0.87 -0.46 0.66 0.00 0.00 0.00 0.00 175.76 176.83 2aeo s GLY 145 N -2.91 -0.49 0.16 0.00 0.00 -0.94 -0.84 107.32 102.30 2aeo s GLY 145 Ca 0.11 1.24 -0.30 0.00 0.00 0.00 0.00 44.72 45.77 2aeo s GLY 145 CO 0.04 0.65 0.99 0.14 0.00 0.00 0.00 173.10 174.93 2aeo s VAL 146 N -2.19 4.23 -0.18 1.40 1.01 -1.26 -1.71 120.40 121.69 2aeo s VAL 146 Ca -0.02 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 2aeo s VAL 146 Cb -0.01 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2aeo s VAL 146 CO -0.02 0.35 1.11 -0.63 0.00 0.00 0.00 175.10 175.92 2aeo s ILE 147 N -0.36 4.54 0.19 2.22 1.01 0.15 -4.53 121.20 124.42 2aeo s ILE 147 Ca 0.46 1.86 0.11 0.00 0.00 0.00 0.00 60.65 63.07 2aeo s ILE 147 Cb -0.26 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2aeo s ILE 147 CO 0.32 -0.13 -0.21 -0.83 0.00 0.00 0.00 174.94 174.08 2aeo s GLY 148 N 1.44 1.72 0.11 6.18 0.00 0.04 -0.24 107.32 116.57 2aeo s GLY 148 Ca 0.49 -1.61 -0.31 0.00 0.00 0.00 0.00 44.72 43.28 2aeo s GLY 148 CO 0.11 -1.64 1.46 -0.42 0.00 0.00 0.00 173.10 172.61 2aeo s ILE 149 N -1.68 3.15 0.16 0.90 1.01 -1.26 -0.67 121.20 122.81 2aeo s ILE 149 Ca 0.22 0.79 0.07 0.00 0.00 0.00 0.00 60.65 61.72 2aeo s ILE 149 Cb -0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2aeo s ILE 149 CO 0.11 0.05 0.01 0.00 0.00 0.00 0.00 174.94 175.11 2aeo s ALA 150 N 1.39 3.25 -2.00 9.38 0.00 -0.58 -4.79 121.76 128.41 2aeo s ALA 150 Ca 0.67 -1.33 0.11 0.00 0.00 0.00 0.00 51.96 51.41 2aeo s ALA 150 Cb -0.38 -1.05 0.66 0.00 0.00 0.00 0.00 23.12 22.34 2aeo s ALA 150 CO 0.30 0.51 1.10 1.17 0.00 0.00 0.00 175.76 178.83