#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 -4.46 0.00 -2.24 -1.26 -4.64 114.28 101.68 2aeo n THR 2 Ca 0.00 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 2aeo n THR 2 Cb 0.00 0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.72 0.86 0.17 -0.78 1.02 -1.26 -0.29 119.74 116.74 2aeo s LYS 3 Ca 0.02 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.66 2aeo s LYS 3 Cb 0.11 -0.83 -0.05 0.00 -0.52 0.00 0.00 37.83 36.55 2aeo s LYS 3 CO 0.66 0.23 -0.04 0.00 -0.92 0.00 0.00 175.35 175.28 2aeo s ALA 4 N -0.26 1.46 0.01 5.17 0.00 -0.49 -1.13 121.76 126.52 2aeo s ALA 4 Ca 0.04 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 2aeo s ALA 4 Cb -0.04 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 2aeo s ALA 4 CO -0.00 -0.22 0.10 0.54 0.00 0.00 0.00 175.76 176.18 2aeo s VAL 5 N -3.48 0.09 -0.04 0.00 0.11 -0.28 -1.41 120.40 115.39 2aeo s VAL 5 Ca 0.21 -0.72 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2aeo s VAL 5 Cb 0.05 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2aeo s VAL 5 CO 0.03 -0.40 -0.04 0.00 -3.33 0.00 0.00 175.10 171.36 2aeo s VAL 7 N 0.81 4.29 -0.15 0.00 1.01 -1.26 -0.97 120.40 124.13 2aeo s VAL 7 Ca -0.10 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2aeo s VAL 7 Cb -0.13 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2aeo s VAL 7 CO 0.00 0.24 0.57 -0.76 0.00 0.00 0.00 175.10 175.16 2aeo s LEU 8 N 1.59 4.22 0.01 3.92 1.43 0.03 -3.85 118.68 126.03 2aeo s LEU 8 Ca 0.05 0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2aeo s LEU 8 Cb -0.16 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2aeo s LEU 8 CO 0.04 -0.13 0.05 -0.54 0.23 0.00 0.00 176.35 175.99 2aeo s LYS 9 N 1.20 0.33 0.00 1.70 1.02 -0.33 -3.10 119.74 120.56 2aeo s LYS 9 Ca 0.29 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2aeo s LYS 9 Cb -0.16 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2aeo s LYS 9 CO 0.12 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2aeo n GLY 10 N 1.80 4.06 0.22 -3.33 0.00 -1.26 -1.31 105.19 105.37 2aeo n GLY 10 Ca -0.22 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.63 2aeo n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aeo h ASP 11 N 0.00 0.00 -1.18 1.61 3.32 -1.91 -3.47 116.42 114.79 2aeo h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aeo h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2aeo h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2aeo n GLY 12 N 0.81 4.65 0.04 2.75 0.00 -1.26 -5.03 105.19 107.16 2aeo n GLY 12 Ca 0.03 -2.00 0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.08 -2.17 1.61 -0.04 -1.26 -4.86 135.00 128.37 2aeo n PRO 13 Ca 0.00 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 2aeo n PRO 13 Cb 0.00 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 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 -3.08 3.64 0.19 0.52 1.01 -1.26 -4.50 120.40 116.92 2aeo s VAL 14 Ca 0.09 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 2aeo s VAL 14 Cb 0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2aeo s VAL 14 CO 0.43 -0.02 0.27 0.00 0.00 0.00 0.00 175.10 175.79 2aeo s GLN 15 N 2.69 1.23 0.00 2.72 -2.07 -0.93 -4.01 119.66 119.30 2aeo s GLN 15 Ca 0.66 -1.32 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 2aeo s GLN 15 Cb -0.32 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 2aeo s GLN 15 CO 0.27 -0.45 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 2aeo n GLY 16 N -0.25 0.70 3.00 2.60 0.00 -1.18 0.21 105.19 110.27 2aeo n GLY 16 Ca -0.04 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2aeo n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aeo s THR 17 N -2.00 1.05 -0.10 2.61 2.01 -0.93 -0.79 115.64 117.49 2aeo s THR 17 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2aeo s THR 17 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 2aeo s THR 17 CO 0.00 0.34 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.45 2aeo s ILE 18 N 0.74 2.53 -0.06 1.82 -1.09 -0.14 -1.95 121.20 123.05 2aeo s ILE 18 Ca -0.13 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 2aeo s ILE 18 Cb -0.15 -2.00 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 2aeo s ILE 18 CO 0.03 0.55 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.25 2aeo s HIS 19 N 0.15 3.03 -0.04 3.97 3.76 0.67 -0.21 115.29 126.61 2aeo s HIS 19 Ca -0.10 0.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.95 2aeo s HIS 19 Cb -0.16 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 2aeo s HIS 19 CO 0.06 0.40 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.09 2aeo s PHE 20 N -0.89 1.97 -0.03 1.40 0.40 -0.50 -1.23 117.98 119.10 2aeo s PHE 20 Ca 0.14 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2aeo s PHE 20 Cb -0.11 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.14 2aeo s PHE 20 CO 0.03 -0.16 0.06 -2.00 0.70 0.00 0.00 175.22 173.85 2aeo s GLU 21 N -0.11 0.01 -0.34 0.44 2.12 -0.22 -1.39 118.70 119.21 2aeo s GLU 21 Ca -0.02 0.20 -0.28 0.00 0.36 0.00 0.00 54.97 55.23 2aeo s GLU 21 Cb -0.12 -0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.11 2aeo s GLU 21 CO 0.02 -0.14 1.05 0.00 -0.54 0.00 0.00 175.26 175.65 2aeo s ALA 22 N 0.88 3.45 -0.08 6.30 0.00 0.61 -1.05 121.76 131.87 2aeo s ALA 22 Ca -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2aeo s ALA 22 Cb -0.10 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.39 2aeo s ALA 22 CO -0.03 -1.57 -0.02 0.15 0.00 0.00 0.00 175.76 174.29 2aeo s LYS 23 N 3.68 0.88 7.97 0.00 1.02 -0.07 -4.96 119.74 128.25 2aeo s LYS 23 Ca 0.44 -0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.43 2aeo s LYS 23 Cb -0.12 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 2aeo s LYS 23 CO 0.17 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2aeo n GLY 24 N 5.03 4.05 0.92 -3.33 0.00 -1.26 -1.59 105.19 109.01 2aeo n GLY 24 Ca -0.09 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2aeo n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aeo n ASP 25 N 7.76 3.19 -4.27 1.61 8.00 -1.26 -5.02 116.55 126.56 2aeo n ASP 25 Ca 0.00 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.28 2aeo n ASP 25 Cb 0.00 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 2aeo n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2aeo s THR 26 N -1.11 0.68 -0.13 -3.53 -1.32 -0.62 -5.05 115.64 104.55 2aeo s THR 26 Ca 0.32 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 2aeo s THR 26 Cb 0.18 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.97 2aeo s THR 26 CO 0.24 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.75 2aeo s VAL 27 N -3.09 1.96 -0.20 5.08 1.01 -1.23 -0.89 120.40 123.04 2aeo s VAL 27 Ca 0.16 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 2aeo s VAL 27 Cb 0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2aeo s VAL 27 CO 0.11 0.53 0.11 -0.69 0.00 0.00 0.00 175.10 175.15 2aeo s VAL 28 N 0.85 5.13 -0.22 2.92 1.01 -0.22 -1.77 120.40 128.10 2aeo s VAL 28 Ca -0.07 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2aeo s VAL 28 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2aeo s VAL 28 CO -0.02 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.74 2aeo s VAL 29 N 0.53 2.93 0.35 2.92 1.01 0.18 -1.05 120.40 127.26 2aeo s VAL 29 Ca 0.06 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2aeo s VAL 29 Cb -0.12 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2aeo s VAL 29 CO 0.00 0.39 0.07 0.42 0.00 0.00 0.00 175.10 175.99 2aeo s THR 30 N 1.39 1.02 -4.44 3.92 -4.23 -0.37 -1.02 115.64 111.92 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 -0.15 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2aeo s THR 30 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2aeo n GLY 31 N -0.75 0.93 3.34 3.99 0.00 -1.09 -0.24 105.19 111.37 2aeo n GLY 31 Ca -0.04 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.35 -0.02 1.61 1.04 -0.82 -0.38 113.70 110.78 2aeo s SER 32 Ca 0.00 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.72 2aeo s SER 32 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2aeo s SER 32 CO 0.00 -0.55 -0.14 -0.63 0.98 0.00 0.00 173.24 172.90 2aeo s ILE 33 N -1.58 1.18 0.30 -1.02 1.01 -0.16 -2.19 121.20 118.75 2aeo s ILE 33 Ca -0.11 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 59.99 2aeo s ILE 33 Cb -0.03 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 2aeo s ILE 33 CO 0.04 0.34 -0.02 0.42 0.00 0.00 0.00 174.94 175.72 2aeo s THR 34 N -0.13 1.55 -0.08 2.92 -4.23 0.13 -0.52 115.64 115.28 2aeo s THR 34 Ca 0.01 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2aeo s THR 34 Cb -0.08 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2aeo s THR 34 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2aeo n GLY 35 N -0.63 0.47 3.88 3.99 0.00 -0.92 -2.18 105.19 109.79 2aeo n GLY 35 Ca -0.05 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.17 3.47 0.38 0.99 1.43 -0.72 -4.30 118.68 119.75 2aeo s LEU 36 Ca 0.00 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 2aeo s LEU 36 Cb 0.00 -4.27 -0.10 0.00 0.03 0.00 0.00 46.19 41.85 2aeo s LEU 36 CO 0.00 -0.69 0.99 0.42 0.23 0.00 0.00 176.35 177.30 2aeo s THR 37 N -2.88 4.06 0.27 5.49 -4.23 -1.26 -4.05 115.64 113.04 2aeo s THR 37 Ca 0.53 1.53 -0.29 0.00 -1.18 0.00 0.00 61.69 62.28 2aeo s THR 37 Cb -0.11 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.83 2aeo s THR 37 CO 0.45 -0.04 1.13 1.21 -0.54 0.00 0.00 174.62 176.84 2aeo n GLU 38 N -0.04 1.52 0.00 3.99 2.13 -1.26 -4.55 120.64 122.43 2aeo n GLU 38 Ca 0.05 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2aeo n GLU 38 Cb 0.51 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 1.43 -0.95 3.83 8.31 0.00 0.07 -4.90 105.19 112.98 2aeo n GLY 39 Ca 0.10 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 6.95 -0.02 1.61 1.11 -1.26 -0.20 116.67 120.86 2aeo s ASP 40 Ca 0.00 1.31 0.00 0.00 0.18 0.00 0.00 52.55 54.04 2aeo s ASP 40 Cb 0.00 -2.38 0.03 0.00 1.07 0.00 0.00 42.92 41.64 2aeo s ASP 40 CO 0.00 0.01 0.02 -1.00 1.18 0.00 0.00 175.17 175.38 2aeo s HIS 41 N -1.58 0.09 0.41 4.23 3.76 -0.17 -2.65 115.29 119.37 2aeo s HIS 41 Ca 0.44 0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 55.18 2aeo s HIS 41 Cb -0.15 -0.26 -0.10 0.00 1.11 0.00 0.00 32.58 33.18 2aeo s HIS 41 CO 0.20 -0.09 1.28 0.41 -0.85 0.00 0.00 174.74 175.69 2aeo n GLY 42 N 4.09 0.57 2.64 -2.22 0.00 -0.30 -1.41 105.19 108.56 2aeo n GLY 42 Ca -0.27 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.18 0.69 0.01 1.61 5.36 0.22 -0.42 117.98 124.27 2aeo s PHE 43 Ca 0.60 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 2aeo s PHE 43 Cb -0.52 -1.00 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 2aeo s PHE 43 CO 0.59 -0.68 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.63 2aeo s HIS 44 N 1.97 0.22 -0.37 10.12 3.76 -0.73 -2.70 115.29 127.56 2aeo s HIS 44 Ca 0.04 -0.27 -0.25 0.00 -0.15 0.00 0.00 55.06 54.43 2aeo s HIS 44 Cb -0.16 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.39 2aeo s HIS 44 CO -0.19 -0.08 0.88 0.08 -0.85 0.00 0.00 174.74 174.58 2aeo s VAL 45 N -0.73 4.63 0.30 -0.90 1.01 0.06 -1.28 120.40 123.49 2aeo s VAL 45 Ca -0.07 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 2aeo s VAL 45 Cb -0.05 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2aeo s VAL 45 CO -0.00 -0.52 0.59 -1.00 0.00 0.00 0.00 175.10 174.17 2aeo s HIS 46 N 3.36 3.47 0.12 5.22 3.76 0.21 -1.10 115.29 130.34 2aeo s HIS 46 Ca 0.36 0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 55.82 2aeo s HIS 46 Cb -0.12 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 2aeo s HIS 46 CO 0.18 0.14 1.75 0.37 -0.85 0.00 0.00 174.74 176.33 2aeo h GLN 47 N 1.73 0.34 -5.60 1.40 4.15 -0.59 -1.93 115.11 114.60 2aeo h GLN 47 Ca -0.47 -0.03 -0.65 0.00 0.77 0.00 0.00 58.65 58.26 2aeo h GLN 47 Cb 1.19 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.70 2aeo h GLN 47 CO 0.66 0.27 -0.52 -0.06 -1.93 0.00 0.00 178.83 177.25 2aeo s PHE 48 N -6.00 3.44 -0.62 3.99 0.08 0.57 -4.64 117.98 114.80 2aeo s PHE 48 Ca -0.13 0.38 -0.06 0.00 0.12 0.00 0.00 56.93 57.24 2aeo s PHE 48 Cb 0.09 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 2aeo s PHE 48 CO 0.70 0.55 2.99 0.41 -0.10 0.00 0.00 175.22 179.77 2aeo n GLY 49 N 2.44 4.09 2.96 4.36 0.00 -0.88 -3.69 105.19 114.46 2aeo n GLY 49 Ca -0.19 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 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 4.28 -0.23 1.61 -1.08 -1.26 -4.95 116.67 116.13 2aeo s ASP 50 Ca 0.62 -1.60 0.14 0.00 -0.52 0.00 0.00 52.55 51.20 2aeo s ASP 50 Cb 0.30 -1.35 0.73 0.00 -1.46 0.00 0.00 42.92 41.14 2aeo s ASP 50 CO -0.11 -0.30 1.66 -3.20 0.52 0.00 0.00 175.17 173.74 2aeo n ASN 51 N 4.52 5.09 0.13 -0.34 2.85 -1.26 -2.69 115.26 123.56 2aeo n ASN 51 Ca -0.06 -3.00 0.05 0.00 -0.11 0.00 0.00 54.58 51.46 2aeo n ASN 51 Cb 0.43 -0.65 0.48 0.00 1.24 0.00 0.00 39.78 41.28 2aeo n ASN 51 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2aeo h THR 52 N 3.20 1.10 -2.14 -0.44 1.35 -1.93 -2.49 112.91 111.56 2aeo h THR 52 Ca 0.02 -0.36 -0.62 0.00 -0.55 0.00 0.00 66.41 64.90 2aeo h THR 52 Cb 1.86 0.94 -0.40 0.00 -1.73 0.00 0.00 68.15 68.82 2aeo h THR 52 CO 0.43 0.12 -0.38 0.00 -0.25 0.00 0.00 175.52 175.45 2aeo n GLN 53 N -4.42 3.55 0.00 4.72 6.02 -1.26 -5.05 117.38 120.94 2aeo n GLN 53 Ca -0.00 -4.74 0.00 0.00 -0.01 0.00 0.00 57.00 52.25 2aeo n GLN 53 Cb 0.15 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.14 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 -0.27 1.28 0.28 1.08 0.00 -0.94 -2.87 105.19 103.74 2aeo n GLY 54 Ca 0.35 -0.50 0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 1.14 0.00 0.00 2.02 -1.85 -2.09 112.91 112.13 2aeo h THR 56 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2aeo h THR 56 Cb 0.40 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2aeo h THR 56 CO 0.01 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 2aeo n SER 57 N -4.53 0.00 0.07 4.18 3.41 -1.19 -2.67 113.62 112.89 2aeo n SER 57 Ca 0.11 -0.55 0.10 0.00 -0.26 0.00 0.00 58.87 58.27 2aeo n SER 57 Cb 0.10 -0.04 0.41 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.04 1.66 -0.46 7.33 0.00 -0.78 -4.40 120.51 122.82 2aeo n ALA 58 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2aeo n ALA 58 Cb 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.00 -0.45 0.50 0.00 0.00 -1.09 -0.32 105.19 103.83 2aeo n GLY 59 Ca 0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.06 -0.10 -2.08 1.61 -0.04 -1.26 -4.53 135.00 128.55 2aeo n PRO 60 Ca 0.00 -0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 62.78 2aeo n PRO 60 Cb 0.00 -0.17 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 2aeo n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2aeo s HIS 61 N -1.25 2.96 -0.13 0.54 3.76 -1.26 -0.58 115.29 119.33 2aeo s HIS 61 Ca 0.10 1.39 -0.34 0.00 -0.15 0.00 0.00 55.06 56.06 2aeo s HIS 61 Cb -0.00 -3.71 -0.11 0.00 1.11 0.00 0.00 32.58 29.87 2aeo s HIS 61 CO 0.07 -2.00 1.95 0.34 -0.85 0.00 0.00 174.74 174.25 2aeo n PHE 62 N 0.64 2.22 -2.97 1.40 7.35 -0.25 -4.56 117.46 121.27 2aeo n PHE 62 Ca 0.01 0.01 -0.14 0.00 -0.76 0.00 0.00 57.45 56.57 2aeo n PHE 62 Cb 0.42 -2.66 0.03 0.00 0.35 0.00 0.00 39.48 37.62 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 7.52 -0.66 0.10 -2.13 5.15 -1.26 -1.83 115.26 122.15 2aeo n ASN 63 Ca 0.25 -3.34 0.10 0.00 -0.60 0.00 0.00 54.58 51.00 2aeo n ASN 63 Cb 0.30 0.58 0.44 0.00 -0.53 0.00 0.00 39.78 40.57 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 0.32 0.14 -0.19 1.20 -0.04 -1.26 -1.48 135.00 133.69 2aeo n PRO 64 Ca 0.16 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 2aeo n PRO 64 Cb 0.68 -1.78 0.26 0.00 -0.04 0.00 0.00 33.50 32.62 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 -2.04 3.06 -3.72 1.53 4.77 -1.26 -4.98 117.00 114.35 2aeo n LEU 65 Ca 0.02 -1.35 -0.24 0.00 -0.03 0.00 0.00 56.01 54.41 2aeo n LEU 65 Cb 0.20 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2aeo n LEU 65 CO 0.17 0.68 0.04 -1.20 -1.33 0.00 0.00 177.39 175.75 2aeo n SER 66 N 1.22 -2.90 -5.01 -1.43 7.64 -0.55 -5.00 113.62 107.59 2aeo n SER 66 Ca 0.19 -0.75 -0.20 0.00 1.01 0.00 0.00 58.87 59.12 2aeo n SER 66 Cb 0.53 -4.24 0.04 0.00 -1.01 0.00 0.00 64.21 59.53 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 -6.13 2.43 0.42 1.43 1.02 -1.26 -5.13 119.74 112.51 2aeo s LYS 67 Ca 0.26 -1.59 -0.03 0.00 0.02 0.00 0.00 55.97 54.63 2aeo s LYS 67 Cb -0.13 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2aeo s LYS 67 CO 0.80 -0.68 0.69 0.15 -0.92 0.00 0.00 175.35 175.39 2aeo s LYS 68 N -4.54 3.53 0.39 1.68 1.02 -1.26 -4.79 119.74 115.77 2aeo s LYS 68 Ca 0.57 0.01 -0.27 0.00 0.02 0.00 0.00 55.97 56.30 2aeo s LYS 68 Cb -0.06 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.66 2aeo s LYS 68 CO 0.36 -0.06 1.38 -1.58 -0.92 0.00 0.00 175.35 174.53 2aeo s HIS 69 N -2.56 2.72 0.12 3.18 5.65 -0.18 -3.06 115.29 121.16 2aeo s HIS 69 Ca 0.45 1.31 -0.02 0.00 0.25 0.00 0.00 55.06 57.05 2aeo s HIS 69 Cb -0.10 -3.82 0.01 0.00 -1.18 0.00 0.00 32.58 27.48 2aeo s HIS 69 CO 0.41 -2.48 0.19 0.41 -0.65 0.00 0.00 174.74 172.62 2aeo n GLY 70 N 0.62 2.51 3.90 1.59 0.00 -1.24 -4.33 105.19 108.24 2aeo n GLY 70 Ca 0.03 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.72 1.62 0.49 -0.02 0.00 -1.20 -4.61 107.32 101.88 2aeo s GLY 71 Ca 0.09 -0.53 0.26 0.00 0.00 0.00 0.00 44.72 44.54 2aeo s GLY 71 CO 0.06 -0.19 1.97 -0.56 0.00 0.00 0.00 173.10 174.38 2aeo h PRO 72 N -0.47 0.00 0.00 2.90 0.13 -1.88 -1.26 132.00 131.42 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2aeo h PRO 72 CO 0.62 0.17 0.00 1.63 -0.23 0.00 0.00 178.00 180.19 2aeo n LYS 73 N -3.55 0.24 -3.18 0.86 5.02 -1.26 -4.93 118.16 111.37 2aeo n LYS 73 Ca -0.01 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2aeo n LYS 73 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.75 6.71 -0.01 4.39 1.01 -0.48 -5.00 116.67 120.54 2aeo s ASP 74 Ca 0.22 1.17 -0.22 0.00 0.71 0.00 0.00 52.55 54.43 2aeo s ASP 74 Cb 0.19 -2.33 -0.20 0.00 1.01 0.00 0.00 42.92 41.60 2aeo s ASP 74 CO 0.48 -0.19 1.17 -0.08 0.21 0.00 0.00 175.17 176.75 2aeo h GLU 75 N 2.21 0.28 -5.67 8.23 4.57 -1.91 -3.38 114.58 118.90 2aeo h GLU 75 Ca -0.48 -0.23 -0.62 0.00 -1.18 0.00 0.00 59.36 56.86 2aeo h GLU 75 Cb 1.17 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 2aeo h GLU 75 CO 0.66 0.88 0.95 -2.00 -1.18 0.00 0.00 179.01 178.31 2aeo s GLU 76 N -3.61 3.37 0.16 1.92 2.56 -1.26 -4.94 118.70 116.90 2aeo s GLU 76 Ca -0.15 -1.03 -0.16 0.00 0.00 0.00 0.00 54.97 53.63 2aeo s GLU 76 Cb 0.03 -4.67 0.03 0.00 2.00 0.00 0.00 34.13 31.52 2aeo s GLU 76 CO 0.76 -1.96 0.45 -0.98 -0.56 0.00 0.00 175.26 172.97 2aeo s ARG 77 N 4.24 1.23 0.49 4.30 1.70 -1.17 -3.70 118.95 126.03 2aeo s ARG 77 Ca 0.33 -0.83 -0.14 0.00 -0.47 0.00 0.00 55.73 54.63 2aeo s ARG 77 Cb -0.08 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2aeo s ARG 77 CO 0.01 -0.50 0.91 -1.01 -1.08 0.00 0.00 175.30 173.63 2aeo s HIS 78 N -3.85 3.48 0.33 5.89 3.76 -1.22 -4.68 115.29 119.01 2aeo s HIS 78 Ca 0.07 1.29 0.03 0.00 -0.15 0.00 0.00 55.06 56.30 2aeo s HIS 78 Cb 0.01 -2.65 0.64 0.00 1.11 0.00 0.00 32.58 31.68 2aeo s HIS 78 CO -0.06 -0.31 1.94 0.28 -0.85 0.00 0.00 174.74 175.74 2aeo h VAL 79 N 0.82 1.05 0.00 -0.90 2.07 -1.85 -2.24 116.25 115.20 2aeo h VAL 79 Ca -0.47 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2aeo h VAL 79 Cb 1.19 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 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 -1.43 -0.92 3.48 2.17 0.00 -0.76 -4.43 105.19 103.30 2aeo n GLY 80 Ca 0.12 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.41 6.63 -0.15 1.61 1.01 -0.85 -0.76 116.67 122.75 2aeo s ASP 81 Ca 0.16 -1.98 0.17 0.00 0.71 0.00 0.00 52.55 51.61 2aeo s ASP 81 Cb 0.07 -2.44 0.76 0.00 1.01 0.00 0.00 42.92 42.32 2aeo s ASP 81 CO 0.12 -1.14 1.67 0.18 0.21 0.00 0.00 175.17 176.21 2aeo n LEU 82 N 7.02 5.09 0.00 1.23 4.77 -1.10 -3.60 117.00 130.41 2aeo n LEU 82 Ca 0.27 -2.61 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 2aeo n LEU 82 Cb 0.49 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2aeo n LEU 82 CO 0.55 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 2aeo n GLY 83 N 0.95 2.27 3.41 -0.72 0.00 -1.24 -4.80 105.19 105.05 2aeo n GLY 83 Ca 0.27 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 3.62 0.23 1.61 0.01 -1.26 -0.61 114.94 114.54 2aeo s ASN 84 Ca 0.00 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 2aeo s ASN 84 Cb 0.00 -0.63 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 2aeo s ASN 84 CO 0.00 0.34 0.39 0.68 -1.51 0.00 0.00 177.10 177.00 2aeo s VAL 85 N -0.68 5.22 -0.16 1.60 -7.23 -0.50 -4.91 120.40 113.74 2aeo s VAL 85 Ca 0.11 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2aeo s VAL 85 Cb -0.10 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.07 2aeo s VAL 85 CO -0.00 -0.26 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.47 2aeo s THR 86 N -1.95 1.77 0.03 5.32 2.01 -1.26 -1.00 115.64 120.57 2aeo s THR 86 Ca 0.37 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 2aeo s THR 86 Cb -0.10 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.71 2aeo s THR 86 CO 0.30 0.49 0.47 0.00 -0.69 0.00 0.00 174.62 175.19 2aeo s ALA 87 N 1.40 3.66 0.97 7.40 0.00 0.72 -4.17 121.76 131.75 2aeo s ALA 87 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2aeo s ALA 87 Cb -0.13 -2.48 0.06 0.00 0.00 0.00 0.00 23.12 20.56 2aeo s ALA 87 CO -0.12 0.45 0.33 -0.40 0.00 0.00 0.00 175.76 176.03 2aeo n ASP 88 N 1.76 0.04 0.24 0.00 5.68 -0.18 -0.75 116.55 123.35 2aeo n ASP 88 Ca -0.12 -1.13 0.11 0.00 -0.50 0.00 0.00 54.79 53.15 2aeo n ASP 88 Cb 0.52 -0.25 0.60 0.00 -1.14 0.00 0.00 41.12 40.84 2aeo n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2aeo h LYS 89 N 0.00 0.00 -0.12 0.11 2.10 -1.97 -1.87 116.57 114.82 2aeo h LYS 89 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2aeo h LYS 89 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2aeo h LYS 89 CO 0.08 0.18 0.00 0.09 -2.00 0.00 0.00 179.45 177.79 2aeo n ASN 90 N -3.51 0.94 -0.05 7.07 3.02 -1.26 -4.83 115.26 116.64 2aeo n ASN 90 Ca -0.01 -1.69 -0.01 0.00 -0.03 0.00 0.00 54.58 52.84 2aeo n ASN 90 Cb 0.33 -0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.93 0.45 3.56 7.41 0.00 -0.70 -4.67 105.19 112.16 2aeo n GLY 91 Ca 0.13 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.01 4.69 -0.17 1.61 1.01 -1.26 -1.76 120.40 122.50 2aeo s VAL 92 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2aeo s VAL 92 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2aeo s VAL 92 CO 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 175.10 175.40 2aeo s ALA 93 N 1.06 2.77 -0.22 5.51 0.00 0.32 -1.01 121.76 130.19 2aeo s ALA 93 Ca 0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2aeo s ALA 93 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2aeo s ALA 93 CO 0.03 -0.03 0.50 0.42 0.00 0.00 0.00 175.76 176.69 2aeo s ILE 94 N 0.80 5.11 -0.20 0.00 -1.09 -1.26 -0.99 121.20 123.56 2aeo s ILE 94 Ca -0.03 0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 59.15 2aeo s ILE 94 Cb -0.15 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2aeo s ILE 94 CO 0.01 0.16 0.37 -0.69 -1.23 0.00 0.00 174.94 173.56 2aeo s VAL 95 N 1.78 5.22 -0.37 2.92 1.01 0.49 -4.75 120.40 126.70 2aeo s VAL 95 Ca 0.23 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2aeo s VAL 95 Cb -0.15 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.69 2aeo s VAL 95 CO 0.09 0.27 0.43 -0.62 0.00 0.00 0.00 175.10 175.27 2aeo s ASP 96 N 1.00 0.59 -0.03 3.32 3.68 -1.23 -2.67 116.67 121.33 2aeo s ASP 96 Ca 0.18 -1.36 0.03 0.00 2.13 0.00 0.00 52.55 53.53 2aeo s ASP 96 Cb -0.14 0.87 -0.00 0.00 -1.45 0.00 0.00 42.92 42.19 2aeo s ASP 96 CO 0.07 -0.25 -0.11 -0.63 0.13 0.00 0.00 175.17 174.38 2aeo s ILE 97 N 1.58 0.95 -0.11 4.11 1.01 -0.19 -5.00 121.20 123.55 2aeo s ILE 97 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2aeo s ILE 97 Cb -0.13 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2aeo s ILE 97 CO -0.06 0.29 -0.12 -0.69 0.00 0.00 0.00 174.94 174.36 2aeo s VAL 98 N 0.09 3.22 -0.03 2.92 1.01 -1.26 0.48 120.40 126.82 2aeo s VAL 98 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2aeo s VAL 98 Cb -0.09 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2aeo s VAL 98 CO 0.01 0.55 -0.05 -0.62 0.00 0.00 0.00 175.10 174.98 2aeo s ASP 99 N -0.04 0.86 0.09 3.32 2.15 -0.73 -5.02 116.67 117.30 2aeo s ASP 99 Ca -0.02 -0.12 0.26 0.00 0.43 0.00 0.00 52.55 53.10 2aeo s ASP 99 Cb -0.14 -0.35 0.76 0.00 -0.30 0.00 0.00 42.92 42.89 2aeo s ASP 99 CO 0.04 -0.02 1.65 -0.81 -0.17 0.00 0.00 175.17 175.85 2aeo n PRO 100 N 3.77 0.15 -0.11 4.34 -0.04 -1.26 -3.50 135.00 138.34 2aeo n PRO 100 Ca -0.23 0.09 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 2aeo n PRO 100 Cb 0.52 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 2aeo n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aeo n LEU 101 N -1.89 2.59 -4.77 1.53 4.77 -1.26 -4.98 117.00 112.99 2aeo n LEU 101 Ca 0.05 -0.08 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 2aeo n LEU 101 Cb 0.39 -0.76 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 2aeo n LEU 101 CO 0.32 0.88 0.71 0.27 -1.33 0.00 0.00 177.39 178.24 2aeo s ILE 102 N -2.52 3.37 0.28 -0.08 -4.36 -1.26 -4.85 121.20 111.78 2aeo s ILE 102 Ca -0.31 0.51 -0.00 0.00 -0.26 0.00 0.00 60.65 60.59 2aeo s ILE 102 Cb 0.08 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.75 2aeo s ILE 102 CO 0.65 -0.52 0.31 -0.94 0.24 0.00 0.00 174.94 174.67 2aeo s SER 103 N -3.15 0.78 0.00 4.36 1.04 -0.78 -4.69 113.70 111.25 2aeo s SER 103 Ca 0.63 -1.47 0.07 0.00 0.48 0.00 0.00 55.95 55.65 2aeo s SER 103 Cb -0.18 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.63 2aeo s SER 103 CO 0.51 -1.06 1.07 0.18 0.98 0.00 0.00 173.24 174.92 2aeo n LEU 104 N -0.47 2.37 -3.53 2.42 4.77 -1.26 -2.11 117.00 119.20 2aeo n LEU 104 Ca 0.03 -1.81 -0.18 0.00 -0.03 0.00 0.00 56.01 54.02 2aeo n LEU 104 Cb 0.63 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2aeo n LEU 104 CO 0.31 0.58 0.43 -0.94 -1.33 0.00 0.00 177.39 176.44 2aeo s SER 105 N -0.92 -0.65 0.00 -1.43 1.04 -1.26 -4.27 113.70 106.21 2aeo s SER 105 Ca 0.13 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2aeo s SER 105 Cb 0.07 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2aeo s SER 105 CO 0.09 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2aeo n GLY 106 N 0.95 -1.38 0.32 7.32 0.00 -1.26 -4.32 105.19 106.82 2aeo n GLY 106 Ca -0.19 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 0.80 -0.31 1.61 4.81 -2.01 -1.95 114.58 117.53 2aeo h GLU 107 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2aeo h GLU 107 Cb 0.00 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2aeo h GLU 107 CO 0.00 0.53 0.00 0.66 -0.73 0.00 0.00 179.01 179.47 2aeo n TYR 108 N -4.72 0.42 -1.92 0.92 4.01 -1.26 -4.95 117.16 109.66 2aeo n TYR 108 Ca 0.16 -0.21 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 2aeo n TYR 108 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.14 6.54 0.00 7.72 0.15 -0.74 -1.87 113.70 124.37 2aeo s SER 109 Ca 0.26 2.78 0.20 0.00 0.70 0.00 0.00 55.95 59.89 2aeo s SER 109 Cb 0.14 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 2aeo s SER 109 CO 0.19 -0.79 1.10 2.30 1.20 0.00 0.00 173.24 177.24 2aeo n ILE 110 N 2.25 0.00 -1.73 6.45 -5.35 -0.90 -4.90 119.36 115.17 2aeo n ILE 110 Ca 0.07 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.67 2aeo n ILE 110 Cb 0.39 1.38 -0.03 0.00 -1.74 0.00 0.00 39.64 39.64 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 -1.78 2.02 0.00 7.28 -1.09 -1.26 -1.68 121.20 124.69 2aeo s ILE 111 Ca 0.22 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2aeo s ILE 111 Cb 0.16 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2aeo s ILE 111 CO 0.30 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 2aeo n GLY 112 N 3.57 0.71 0.06 6.18 0.00 1.00 -4.99 105.19 111.72 2aeo n GLY 112 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.54 1.38 -4.96 1.61 1.74 -0.67 -2.08 116.66 111.13 2aeo n ARG 113 Ca 0.00 -0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.72 2aeo n ARG 113 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.18 1.90 -0.12 0.55 2.01 -0.73 -0.30 115.64 119.13 2aeo s THR 114 Ca 0.01 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 2aeo s THR 114 Cb -0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2aeo s THR 114 CO 0.00 0.52 0.68 -0.32 -0.69 0.00 0.00 174.62 174.82 2aeo s MET 115 N 0.54 4.34 -0.05 4.92 1.75 -0.76 0.65 119.30 130.69 2aeo s MET 115 Ca -0.15 0.79 0.05 0.00 -1.25 0.00 0.00 55.69 55.14 2aeo s MET 115 Cb -0.17 -3.50 -0.01 0.00 2.84 0.00 0.00 34.83 33.99 2aeo s MET 115 CO 0.05 -0.08 -0.21 0.08 -0.65 0.00 0.00 175.02 174.21 2aeo s VAL 116 N 1.33 1.74 -0.15 10.11 1.01 -0.41 -2.24 120.40 131.79 2aeo s VAL 116 Ca 0.34 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2aeo s VAL 116 Cb -0.17 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2aeo s VAL 116 CO 0.14 0.49 0.02 0.54 0.00 0.00 0.00 175.10 176.29 2aeo s VAL 117 N -0.04 4.39 0.36 2.92 0.11 -0.64 -1.77 120.40 125.74 2aeo s VAL 117 Ca -0.04 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 2aeo s VAL 117 Cb -0.13 -2.93 -0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2aeo s VAL 117 CO 0.03 0.51 0.47 -1.00 -3.33 0.00 0.00 175.10 171.77 2aeo s HIS 118 N 0.07 2.99 0.15 1.54 3.76 0.44 -1.41 115.29 122.83 2aeo s HIS 118 Ca 0.03 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 2aeo s HIS 118 Cb -0.13 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.50 2aeo s HIS 118 CO 0.02 -0.09 1.57 1.49 -0.85 0.00 0.00 174.74 176.87 2aeo h GLU 119 N 0.89 0.93 -5.95 1.40 4.81 -1.09 -3.38 114.58 112.18 2aeo h GLU 119 Ca -0.44 -0.35 -0.60 0.00 -0.13 0.00 0.00 59.36 57.84 2aeo h GLU 119 Cb 1.26 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 2aeo h GLU 119 CO 0.52 1.01 -0.70 0.15 -0.73 0.00 0.00 179.01 179.26 2aeo s LYS 120 N -4.82 1.74 0.65 1.92 1.02 -0.29 -4.88 119.74 115.08 2aeo s LYS 120 Ca -0.12 -1.87 -0.18 0.00 0.02 0.00 0.00 55.97 53.82 2aeo s LYS 120 Cb 0.12 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.76 2aeo s LYS 120 CO 0.85 0.18 1.29 -2.30 -0.92 0.00 0.00 175.35 174.44 2aeo n PRO 121 N -0.72 1.12 -2.87 -1.68 -0.02 -1.09 -1.15 135.00 128.61 2aeo n PRO 121 Ca -0.05 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2aeo n PRO 121 Cb 0.63 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 2aeo n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2aeo s ASP 122 N -1.36 7.01 0.00 2.55 -1.08 -1.26 -3.88 116.67 118.64 2aeo s ASP 122 Ca 0.82 1.23 0.04 0.00 -0.52 0.00 0.00 52.55 54.13 2aeo s ASP 122 Cb -0.38 -2.47 0.19 0.00 -1.46 0.00 0.00 42.92 38.80 2aeo s ASP 122 CO 0.41 -0.39 1.13 -0.90 0.52 0.00 0.00 175.17 175.94 2aeo n ASP 123 N 5.08 0.41 -2.54 -0.34 5.68 0.27 -4.89 116.55 120.23 2aeo n ASP 123 Ca 0.05 -1.94 -0.20 0.00 -0.50 0.00 0.00 54.79 52.21 2aeo n ASP 123 Cb 0.49 -0.05 -0.00 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 -0.31 -1.90 -0.08 -2.12 4.77 -1.26 -2.40 117.00 113.70 2aeo n LEU 124 Ca 0.04 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 2aeo n LEU 124 Cb 0.07 -2.77 -0.00 0.00 -2.33 0.00 0.00 43.42 38.39 2aeo n LEU 124 CO 0.03 -0.12 -0.01 0.61 -1.33 0.00 0.00 177.39 176.57 2aeo n GLY 125 N -1.06 0.49 0.47 -0.72 0.00 -1.25 -3.24 105.19 99.87 2aeo n GLY 125 Ca -0.20 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.47 2.67 0.15 1.61 1.74 -1.01 -4.59 116.66 114.76 2aeo n ARG 126 Ca -0.01 -2.21 0.01 0.00 -0.77 0.00 0.00 57.85 54.86 2aeo n ARG 126 Cb 0.10 -1.39 0.19 0.00 -1.02 0.00 0.00 32.46 30.33 2aeo n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2aeo h GLY 127 N 1.18 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 98.74 2aeo h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aeo h GLY 127 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 2aeo n GLY 128 N 0.43 0.74 3.91 4.60 0.00 -1.26 -5.04 105.19 108.58 2aeo n GLY 128 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.53 4.74 0.24 1.61 2.20 -1.26 -5.04 114.94 114.90 2aeo s ASN 129 Ca 0.00 -1.12 -0.00 0.00 -0.94 0.00 0.00 52.86 50.80 2aeo s ASN 129 Cb 0.00 0.24 0.27 0.00 -2.00 0.00 0.00 41.25 39.75 2aeo s ASN 129 CO 0.00 -1.06 1.62 -0.08 -2.94 0.00 0.00 177.10 174.65 2aeo h GLU 130 N 0.74 0.52 -0.84 3.55 4.81 -2.01 -3.13 114.58 118.23 2aeo h GLU 130 Ca -0.37 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2aeo h GLU 130 Cb 1.29 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 2aeo h GLU 130 CO 0.56 0.82 0.55 1.49 -0.73 0.00 0.00 179.01 181.69 2aeo h GLU 131 N 0.43 0.96 -0.97 1.92 4.57 -2.00 -1.56 114.58 117.93 2aeo h GLU 131 Ca 0.04 -0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 2aeo h GLU 131 Cb 0.86 -0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 29.15 2aeo h GLU 131 CO 0.07 0.64 0.62 1.03 -1.18 0.00 0.00 179.01 180.19 2aeo h SER 132 N 0.99 0.89 0.24 1.04 0.87 -1.88 -0.47 113.55 115.23 2aeo h SER 132 Ca 0.34 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2aeo h SER 132 Cb 0.11 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2aeo h SER 132 CO -0.11 0.49 0.00 0.35 -0.53 0.00 0.00 176.83 177.03 2aeo n THR 133 N -4.58 0.23 -0.05 2.23 -2.24 -0.59 -1.97 114.28 107.32 2aeo n THR 133 Ca 0.18 0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.94 2aeo n THR 133 Cb 0.34 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.18 0.21 0.00 -0.78 5.02 -0.33 -1.01 118.16 120.10 2aeo n LYS 134 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2aeo n LYS 134 Cb 0.13 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 -3.01 0.00 -1.35 -0.18 -2.24 -0.37 -4.67 114.28 102.47 2aeo n THR 135 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2aeo n THR 135 Cb 0.65 1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 70.43 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 0.00 1.29 2.46 3.38 0.00 -0.83 -2.55 105.19 108.94 2aeo n GLY 136 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.19 -5.50 0.23 1.61 3.02 -1.26 -0.56 115.26 112.60 2aeo n ASN 137 Ca -0.12 0.21 0.16 0.00 -0.03 0.00 0.00 54.58 54.80 2aeo n ASN 137 Cb 0.43 -4.62 0.77 0.00 -0.61 0.00 0.00 39.78 35.74 2aeo n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2aeo h ALA 138 N 0.51 1.00 -0.50 5.41 0.00 -1.60 -3.45 119.26 120.63 2aeo h ALA 138 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2aeo h ALA 138 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2aeo h ALA 138 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2aeo n GLY 139 N -0.71 1.12 3.73 0.00 0.00 -1.26 -1.14 105.19 106.94 2aeo n GLY 139 Ca -0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 3.60 -0.55 1.61 1.04 -1.26 -4.68 113.70 109.45 2aeo s SER 140 Ca 0.00 1.41 -0.16 0.00 0.48 0.00 0.00 55.95 57.68 2aeo s SER 140 Cb 0.00 -2.09 0.13 0.00 0.10 0.00 0.00 66.02 64.16 2aeo s SER 140 CO 0.00 -2.55 0.51 -0.13 0.98 0.00 0.00 173.24 172.05 2aeo s ARG 141 N -4.99 3.00 0.24 4.02 0.52 -1.26 -1.18 118.95 119.30 2aeo s ARG 141 Ca 0.63 -1.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.04 2aeo s ARG 141 Cb -0.17 -4.29 0.26 0.00 0.52 0.00 0.00 34.95 31.27 2aeo s ARG 141 CO 0.56 -1.32 1.76 -0.07 0.02 0.00 0.00 175.30 176.25 2aeo h LEU 142 N 8.80 0.90 -7.00 2.53 3.38 -1.52 -3.47 115.31 118.94 2aeo h LEU 142 Ca -0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2aeo h LEU 142 Cb 1.10 -0.24 -0.20 0.00 0.09 0.00 0.00 40.66 41.41 2aeo h LEU 142 CO 1.02 0.90 0.30 0.00 0.09 0.00 0.00 178.44 180.75 2aeo s ALA 143 N -5.19 -1.81 0.25 1.53 0.00 -1.21 -3.99 121.76 111.34 2aeo s ALA 143 Ca -0.11 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 2aeo s ALA 143 Cb 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2aeo s ALA 143 CO 0.82 -0.39 0.66 0.00 0.00 0.00 0.00 175.76 176.86 2aeo s GLY 145 N -2.89 -0.51 0.13 0.00 0.00 -0.95 -1.18 107.32 101.93 2aeo s GLY 145 Ca 0.09 0.56 -0.30 0.00 0.00 0.00 0.00 44.72 45.07 2aeo s GLY 145 CO 0.02 0.18 0.98 0.14 0.00 0.00 0.00 173.10 174.42 2aeo s VAL 146 N -3.55 4.36 -0.19 1.40 1.01 -1.26 -1.83 120.40 120.34 2aeo s VAL 146 Ca 0.04 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 2aeo s VAL 146 Cb -0.01 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2aeo s VAL 146 CO -0.09 0.33 1.17 -0.63 0.00 0.00 0.00 175.10 175.88 2aeo s ILE 147 N -0.17 4.45 0.22 2.22 1.01 0.59 -4.52 121.20 125.00 2aeo s ILE 147 Ca 0.47 1.75 0.10 0.00 0.00 0.00 0.00 60.65 62.97 2aeo s ILE 147 Cb -0.24 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2aeo s ILE 147 CO 0.31 -0.15 -0.16 -0.83 0.00 0.00 0.00 174.94 174.11 2aeo s GLY 148 N 1.64 1.75 0.14 6.18 0.00 0.02 -0.00 107.32 117.04 2aeo s GLY 148 Ca 0.50 -1.64 -0.31 0.00 0.00 0.00 0.00 44.72 43.27 2aeo s GLY 148 CO 0.11 -1.68 1.53 -0.42 0.00 0.00 0.00 173.10 172.64 2aeo s ILE 149 N -1.93 2.84 0.16 0.90 1.01 -1.26 -1.12 121.20 121.80 2aeo s ILE 149 Ca 0.25 0.58 0.06 0.00 0.00 0.00 0.00 60.65 61.55 2aeo s ILE 149 Cb -0.07 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2aeo s ILE 149 CO 0.14 0.04 0.05 0.00 0.00 0.00 0.00 174.94 175.17 2aeo s ALA 150 N 1.26 3.35 -2.00 9.38 0.00 -0.29 -4.77 121.76 128.69 2aeo s ALA 150 Ca 0.69 -1.29 0.15 0.00 0.00 0.00 0.00 51.96 51.51 2aeo s ALA 150 Cb -0.41 -1.15 0.87 0.00 0.00 0.00 0.00 23.12 22.42 2aeo s ALA 150 CO 0.31 0.51 1.28 1.17 0.00 0.00 0.00 175.76 179.04