#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9o n THR 2 N 0.00 0.00 -3.84 0.00 -1.04 -1.26 -4.59 114.28 103.55 1e9o n THR 2 Ca 0.00 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.61 1e9o n THR 2 Cb 0.00 0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 68.75 1e9o n THR 2 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1e9o s SER 3 N -3.23 -0.10 0.13 8.00 0.01 -1.26 -1.73 113.70 115.52 1e9o s SER 3 Ca -0.03 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.31 1e9o s SER 3 Cb 0.08 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1e9o s SER 3 CO 0.53 -0.16 0.15 0.00 0.41 0.00 0.00 173.24 174.17 1e9o s ALA 4 N -0.43 0.39 0.05 1.44 0.00 -0.33 -1.45 121.76 121.43 1e9o s ALA 4 Ca -0.05 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 1e9o s ALA 4 Cb -0.03 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1e9o s ALA 4 CO 0.01 -0.54 0.20 0.54 0.00 0.00 0.00 175.76 175.96 1e9o s VAL 5 N -3.99 0.12 -0.12 0.00 0.11 -0.02 -0.71 120.40 115.79 1e9o s VAL 5 Ca 0.18 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1e9o s VAL 5 Cb 0.06 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1e9o s VAL 5 CO -0.01 -0.53 0.31 0.00 -3.33 0.00 0.00 175.10 171.54 1e9o s VAL 7 N 0.90 4.19 -0.18 0.00 1.01 -1.26 -1.36 120.40 123.70 1e9o s VAL 7 Ca -0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1e9o s VAL 7 Cb -0.07 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1e9o s VAL 7 CO -0.06 0.37 0.50 -0.76 0.00 0.00 0.00 175.10 175.14 1e9o s LEU 8 N 1.43 4.18 0.05 3.92 1.43 0.15 -4.06 118.68 125.77 1e9o s LEU 8 Ca 0.05 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1e9o s LEU 8 Cb -0.15 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1e9o s LEU 8 CO 0.03 -0.13 -0.04 -0.44 0.23 0.00 0.00 176.35 175.99 1e9o s SER 9 N 1.02 0.58 0.00 2.29 0.01 -0.57 -2.09 113.70 114.94 1e9o s SER 9 Ca 0.24 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1e9o s SER 9 Cb -0.15 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1e9o s SER 9 CO 0.10 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1e9o n GLY 10 N 0.86 3.36 0.04 3.44 0.00 -1.25 -1.46 105.19 110.18 1e9o n GLY 10 Ca -0.19 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.69 1e9o n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9o n ASP 11 N -1.48 0.21 0.00 1.61 8.00 -1.26 -4.87 116.55 118.77 1e9o n ASP 11 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1e9o n ASP 11 Cb 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1e9o n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e9o n GLY 12 N 1.37 4.68 0.53 0.44 0.00 -1.26 -5.03 105.19 105.93 1e9o n GLY 12 Ca 0.11 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1e9o n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9o n PRO 13 N 0.00 1.72 -2.51 1.61 -0.04 -1.26 -4.90 135.00 129.62 1e9o n PRO 13 Ca 0.00 -1.06 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 1e9o n PRO 13 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1e9o n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1e9o s VAL 14 N -1.90 4.31 0.12 0.52 1.01 -1.26 -4.48 120.40 118.72 1e9o s VAL 14 Ca 0.35 1.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 1e9o s VAL 14 Cb 0.19 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1e9o s VAL 14 CO 0.30 0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.69 1e9o s GLN 15 N 1.40 0.95 -0.08 2.72 -2.07 -0.93 -3.74 119.66 117.91 1e9o s GLN 15 Ca 0.56 -1.10 -0.32 0.00 -1.82 0.00 0.00 55.36 52.68 1e9o s GLN 15 Cb -0.26 0.34 0.13 0.00 -1.09 0.00 0.00 33.01 32.13 1e9o s GLN 15 CO 0.26 -0.31 1.30 0.20 -1.32 0.00 0.00 175.29 175.42 1e9o s GLY 16 N -2.92 -0.39 -0.07 2.60 0.00 -0.89 -0.65 107.32 105.00 1e9o s GLY 16 Ca 0.11 1.01 0.01 0.00 0.00 0.00 0.00 44.72 45.85 1e9o s GLY 16 CO -0.06 0.25 -0.07 -1.59 0.00 0.00 0.00 173.10 171.63 1e9o s THR 17 N -2.34 0.80 -0.07 0.90 2.01 -0.69 -0.67 115.64 115.58 1e9o s THR 17 Ca 0.13 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1e9o s THR 17 Cb 0.04 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1e9o s THR 17 CO -0.04 0.30 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.31 1e9o s ILE 18 N 1.14 2.05 0.13 1.82 -1.09 -0.46 -2.35 121.20 122.43 1e9o s ILE 18 Ca -0.07 -1.05 0.09 0.00 -2.23 0.00 0.00 60.65 57.39 1e9o s ILE 18 Cb -0.14 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1e9o s ILE 18 CO -0.01 0.57 -0.17 -1.00 -1.23 0.00 0.00 174.94 173.10 1e9o s HIS 19 N -0.06 2.55 -0.01 3.97 3.76 0.92 -1.03 115.29 125.38 1e9o s HIS 19 Ca -0.07 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1e9o s HIS 19 Cb -0.15 -1.33 -0.00 0.00 1.11 0.00 0.00 32.58 32.21 1e9o s HIS 19 CO 0.05 0.41 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.21 1e9o s PHE 20 N -1.25 0.81 -0.07 1.40 0.40 0.12 -1.10 117.98 118.29 1e9o s PHE 20 Ca 0.19 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1e9o s PHE 20 Cb -0.10 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 42.92 1e9o s PHE 20 CO 0.11 -0.05 0.15 -2.00 0.70 0.00 0.00 175.22 174.13 1e9o s GLU 21 N -0.01 0.08 0.14 0.44 2.12 -0.45 -1.19 118.70 119.83 1e9o s GLU 21 Ca 0.00 0.41 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 1e9o s GLU 21 Cb -0.06 -0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.06 1e9o s GLU 21 CO -0.00 -0.20 1.23 0.00 -0.54 0.00 0.00 175.26 175.75 1e9o s ALA 22 N 1.42 3.45 -0.22 6.30 0.00 -0.70 -0.24 121.76 131.77 1e9o s ALA 22 Ca -0.06 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 1e9o s ALA 22 Cb -0.12 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.67 1e9o s ALA 22 CO -0.06 -0.43 0.27 0.21 0.00 0.00 0.00 175.76 175.75 1e9o s LYS 23 N 0.32 0.24 6.30 0.00 2.20 0.03 -4.94 119.74 123.89 1e9o s LYS 23 Ca 0.56 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1e9o s LYS 23 Cb -0.32 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 1e9o s LYS 23 CO 0.34 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1e9o n GLY 24 N 5.33 1.59 1.59 5.54 0.00 -1.26 -1.70 105.19 116.29 1e9o n GLY 24 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1e9o n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1e9o n ASP 25 N 5.29 3.01 -4.52 1.61 5.75 -1.26 -4.95 116.55 121.48 1e9o n ASP 25 Ca 0.00 -3.73 -0.24 0.00 -0.01 0.00 0.00 54.79 50.81 1e9o n ASP 25 Cb 0.00 -0.72 -0.11 0.00 -1.03 0.00 0.00 41.12 39.27 1e9o n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1e9o s THR 26 N -3.31 1.81 -0.12 2.12 -4.23 -0.69 -4.64 115.64 106.59 1e9o s THR 26 Ca 0.50 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1e9o s THR 26 Cb 0.44 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1e9o s THR 26 CO 0.04 -0.13 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.10 1e9o s VAL 27 N -2.88 1.80 -0.22 2.29 1.01 -0.23 -0.79 120.40 121.38 1e9o s VAL 27 Ca 0.33 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1e9o s VAL 27 Cb 0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1e9o s VAL 27 CO 0.15 0.50 0.35 -0.69 0.00 0.00 0.00 175.10 175.42 1e9o s VAL 28 N 0.85 5.23 -0.23 2.92 1.01 0.67 -1.59 120.40 129.27 1e9o s VAL 28 Ca -0.08 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 1e9o s VAL 28 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1e9o s VAL 28 CO -0.01 0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.62 1e9o s VAL 29 N 1.34 3.30 0.24 2.92 1.01 -0.05 -1.33 120.40 127.83 1e9o s VAL 29 Ca 0.16 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1e9o s VAL 29 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1e9o s VAL 29 CO 0.07 0.38 0.01 0.42 0.00 0.00 0.00 175.10 175.99 1e9o s THR 30 N 1.46 1.00 -5.00 3.92 -4.23 -0.26 -1.49 115.64 111.04 1e9o s THR 30 Ca 0.05 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1e9o s THR 30 Cb -0.15 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1e9o s THR 30 CO -0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1e9o n GLY 31 N -0.44 0.41 3.16 3.99 0.00 -1.04 -0.05 105.19 111.21 1e9o n GLY 31 Ca -0.04 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1e9o n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9o s SER 32 N -3.94 -0.02 -0.05 1.61 1.04 -0.99 -0.13 113.70 111.22 1e9o s SER 32 Ca 0.00 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1e9o s SER 32 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1e9o s SER 32 CO 0.00 -0.44 -0.10 -0.63 0.98 0.00 0.00 173.24 173.05 1e9o s ILE 33 N -1.68 0.95 0.38 -1.02 1.01 -0.10 -1.70 121.20 119.03 1e9o s ILE 33 Ca -0.12 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.23 1e9o s ILE 33 Cb -0.05 -0.88 -0.07 0.00 0.01 0.00 0.00 42.46 41.47 1e9o s ILE 33 CO 0.01 0.31 0.00 0.42 0.00 0.00 0.00 174.94 175.68 1e9o s THR 34 N 0.66 2.24 0.00 2.92 -4.23 0.17 0.21 115.64 117.62 1e9o s THR 34 Ca -0.13 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1e9o s THR 34 Cb -0.15 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1e9o s THR 34 CO 0.02 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1e9o n GLY 35 N -0.95 0.59 3.94 3.99 0.00 -0.89 -2.20 105.19 109.67 1e9o n GLY 35 Ca -0.04 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1e9o n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9o s LEU 36 N 0.00 3.78 0.23 0.99 1.43 -1.01 -4.36 118.68 119.74 1e9o s LEU 36 Ca 0.00 0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 53.27 1e9o s LEU 36 Cb 0.00 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1e9o s LEU 36 CO 0.00 -0.54 0.86 0.42 0.23 0.00 0.00 176.35 177.32 1e9o s THR 37 N -2.49 4.27 0.62 5.49 -4.23 -1.26 -4.03 115.64 114.00 1e9o s THR 37 Ca 0.45 1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 62.58 1e9o s THR 37 Cb -0.10 -4.14 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 1e9o s THR 37 CO 0.38 0.40 1.04 -1.84 -0.54 0.00 0.00 174.62 174.06 1e9o n GLU 38 N 1.23 0.93 0.00 3.99 0.28 -1.26 -4.67 120.64 121.14 1e9o n GLU 38 Ca -0.02 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1e9o n GLU 38 Cb 0.49 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.10 1e9o n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1e9o n GLY 39 N 1.20 0.87 3.77 -1.84 0.00 0.15 -4.90 105.19 104.45 1e9o n GLY 39 Ca 0.14 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1e9o n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9o s ASP 40 N 0.00 6.75 -0.02 1.61 1.01 -1.26 -1.22 116.67 123.54 1e9o s ASP 40 Ca 0.00 2.23 0.01 0.00 0.71 0.00 0.00 52.55 55.50 1e9o s ASP 40 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 1e9o s ASP 40 CO 0.00 -0.51 -0.02 -1.00 0.21 0.00 0.00 175.17 173.86 1e9o s HIS 41 N -1.44 0.38 0.57 4.23 3.76 0.41 -3.01 115.29 120.19 1e9o s HIS 41 Ca 0.55 -0.05 -0.20 0.00 -0.15 0.00 0.00 55.06 55.21 1e9o s HIS 41 Cb -0.28 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1e9o s HIS 41 CO 0.35 -0.10 1.24 0.20 -0.85 0.00 0.00 174.74 175.58 1e9o s GLY 42 N 0.64 2.79 -0.28 -2.22 0.00 -0.21 -0.65 107.32 107.39 1e9o s GLY 42 Ca -0.07 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 1e9o s GLY 42 CO -0.01 1.50 0.16 -0.12 0.00 0.00 0.00 173.10 174.63 1e9o s PHE 43 N -1.51 0.16 0.12 1.90 5.36 0.08 -0.74 117.98 123.34 1e9o s PHE 43 Ca 0.75 -0.67 0.04 0.00 -0.96 0.00 0.00 56.93 56.08 1e9o s PHE 43 Cb -0.33 -0.79 -0.04 0.00 -0.34 0.00 0.00 43.02 41.52 1e9o s PHE 43 CO 0.36 -0.81 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.21 1e9o s HIS 44 N 2.15 1.14 -0.29 10.12 3.76 -0.70 -2.84 115.29 128.63 1e9o s HIS 44 Ca 0.08 -0.73 -0.15 0.00 -0.15 0.00 0.00 55.06 54.11 1e9o s HIS 44 Cb -0.16 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 1e9o s HIS 44 CO -0.33 0.02 0.38 0.08 -0.85 0.00 0.00 174.74 174.04 1e9o s VAL 45 N -2.96 5.16 0.31 -0.90 1.01 0.45 -0.87 120.40 122.59 1e9o s VAL 45 Ca 0.11 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1e9o s VAL 45 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1e9o s VAL 45 CO -0.00 0.08 0.53 -1.00 0.00 0.00 0.00 175.10 174.70 1e9o s HIS 46 N 2.08 3.49 0.09 5.22 3.76 0.35 -1.09 115.29 129.20 1e9o s HIS 46 Ca 0.15 0.43 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 1e9o s HIS 46 Cb -0.16 -1.95 -0.09 0.00 1.11 0.00 0.00 32.58 31.49 1e9o s HIS 46 CO 0.11 0.17 1.62 0.37 -0.85 0.00 0.00 174.74 176.15 1e9o h GLN 47 N 1.21 0.30 -6.21 1.40 4.15 -0.79 -2.94 115.11 112.23 1e9o h GLN 47 Ca -0.49 -0.06 -0.64 0.00 0.77 0.00 0.00 58.65 58.23 1e9o h GLN 47 Cb 1.21 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.76 1e9o h GLN 47 CO 0.64 0.38 -0.61 -0.06 -1.93 0.00 0.00 178.83 177.25 1e9o s PHE 48 N -5.48 3.15 -0.73 3.99 0.08 0.41 -4.70 117.98 114.71 1e9o s PHE 48 Ca -0.14 0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 1e9o s PHE 48 Cb 0.07 -1.60 0.31 0.00 -0.57 0.00 0.00 43.02 41.23 1e9o s PHE 48 CO 0.71 0.52 2.16 0.41 -0.10 0.00 0.00 175.22 178.91 1e9o n GLY 49 N 0.44 5.32 3.22 4.36 0.00 -1.09 -3.65 105.19 113.79 1e9o n GLY 49 Ca -0.09 -2.30 -0.36 0.00 0.00 0.00 0.00 46.02 43.27 1e9o n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e9o s ASP 50 N -0.91 4.95 -0.27 1.61 -1.08 -1.26 -4.95 116.67 114.76 1e9o s ASP 50 Ca 0.54 -1.14 0.12 0.00 -0.52 0.00 0.00 52.55 51.56 1e9o s ASP 50 Cb 0.43 -1.76 0.66 0.00 -1.46 0.00 0.00 42.92 40.79 1e9o s ASP 50 CO -0.30 -0.26 1.65 -3.20 0.52 0.00 0.00 175.17 173.58 1e9o n ASN 51 N 4.70 4.33 0.23 -0.34 5.15 -1.26 -3.16 115.26 124.91 1e9o n ASN 51 Ca -0.14 -3.22 0.06 0.00 -0.60 0.00 0.00 54.58 50.68 1e9o n ASN 51 Cb 0.45 -0.67 0.52 0.00 -0.53 0.00 0.00 39.78 39.55 1e9o n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1e9o h THR 52 N 2.31 1.10 -1.61 -0.44 1.35 -1.92 -2.97 112.91 110.73 1e9o h THR 52 Ca 0.16 -0.57 -0.59 0.00 -0.55 0.00 0.00 66.41 64.86 1e9o h THR 52 Cb 1.97 1.31 -0.42 0.00 -1.73 0.00 0.00 68.15 69.28 1e9o h THR 52 CO 0.53 0.16 -0.67 0.00 -0.25 0.00 0.00 175.52 175.28 1e9o n GLN 53 N -4.32 3.40 0.00 4.72 6.02 -1.26 -5.05 117.38 120.89 1e9o n GLN 53 Ca -0.02 -4.52 0.00 0.00 -0.01 0.00 0.00 57.00 52.44 1e9o n GLN 53 Cb 0.23 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.24 1e9o n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1e9o n GLY 54 N -0.46 2.64 0.15 1.08 0.00 -1.12 -2.42 105.19 105.05 1e9o n GLY 54 Ca 0.39 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1e9o n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9o h THR 56 N 0.00 1.21 0.00 0.00 2.02 -1.82 -2.43 112.91 111.88 1e9o h THR 56 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1e9o h THR 56 Cb 0.86 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1e9o h THR 56 CO 0.00 0.26 0.00 -1.54 0.37 0.00 0.00 175.52 174.61 1e9o n SER 57 N -4.32 0.00 0.09 4.18 3.41 -1.21 -3.27 113.62 112.50 1e9o n SER 57 Ca 0.04 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 57.98 1e9o n SER 57 Cb 0.18 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.59 1e9o n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9o n ALA 58 N -0.98 2.00 0.00 7.33 0.00 -0.91 -4.47 120.51 123.48 1e9o n ALA 58 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1e9o n ALA 58 Cb 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1e9o n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9o n GLY 59 N 0.73 -1.81 2.18 0.00 0.00 -1.20 -0.44 105.19 104.64 1e9o n GLY 59 Ca 0.04 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 1e9o n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9o n PRO 60 N 0.00 -0.50 -2.17 1.61 -0.04 -1.26 -4.62 135.00 128.02 1e9o n PRO 60 Ca 0.00 -1.26 -0.37 0.00 -0.04 0.00 0.00 63.50 61.83 1e9o n PRO 60 Cb 0.00 -0.67 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1e9o n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1e9o s HIS 61 N -2.39 2.79 -0.23 0.54 3.76 -1.26 -0.68 115.29 117.81 1e9o s HIS 61 Ca 0.41 1.50 -0.28 0.00 -0.15 0.00 0.00 55.06 56.54 1e9o s HIS 61 Cb -0.01 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 1e9o s HIS 61 CO 0.29 -1.76 1.99 0.12 -0.85 0.00 0.00 174.74 174.53 1e9o s PHE 62 N -1.48 1.49 -0.44 1.40 5.36 -0.25 -4.55 117.98 119.51 1e9o s PHE 62 Ca 0.64 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 57.15 1e9o s PHE 62 Cb -0.31 -4.03 0.23 0.00 -0.34 0.00 0.00 43.02 38.57 1e9o s PHE 62 CO 0.38 -3.73 0.52 -1.71 -1.46 0.00 0.00 175.22 169.22 1e9o n ASN 63 N 10.50 0.70 0.26 6.13 5.15 -1.26 -1.59 115.26 135.14 1e9o n ASN 63 Ca 0.25 -2.77 0.14 0.00 -0.60 0.00 0.00 54.58 51.60 1e9o n ASN 63 Cb 0.45 -0.63 0.66 0.00 -0.53 0.00 0.00 39.78 39.73 1e9o n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1e9o h PRO 64 N 4.35 0.00 -0.37 1.20 0.13 -1.97 -2.65 132.00 132.69 1e9o h PRO 64 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1e9o h PRO 64 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1e9o h PRO 64 CO 0.51 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.67 1e9o n LEU 65 N -3.35 3.05 -3.63 1.56 4.77 -1.26 -4.98 117.00 113.15 1e9o n LEU 65 Ca -0.01 -1.34 -0.25 0.00 -0.03 0.00 0.00 56.01 54.39 1e9o n LEU 65 Cb 0.31 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1e9o n LEU 65 CO 0.30 0.67 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.76 1e9o n SER 66 N 1.21 -3.64 -4.94 -1.43 7.64 -1.00 -5.01 113.62 106.46 1e9o n SER 66 Ca 0.19 -0.89 -0.23 0.00 1.01 0.00 0.00 58.87 58.95 1e9o n SER 66 Cb 0.53 -3.92 0.01 0.00 -1.01 0.00 0.00 64.21 59.82 1e9o n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9o s LYS 67 N -5.75 2.36 0.60 1.43 1.02 -1.26 -5.12 119.74 113.02 1e9o s LYS 67 Ca 0.26 -1.77 -0.05 0.00 0.02 0.00 0.00 55.97 54.44 1e9o s LYS 67 Cb -0.08 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1e9o s LYS 67 CO 0.82 -0.57 0.89 0.15 -0.92 0.00 0.00 175.35 175.73 1e9o s LYS 68 N -4.35 2.71 0.29 1.68 1.02 -1.26 -4.74 119.74 115.09 1e9o s LYS 68 Ca 0.46 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.95 1e9o s LYS 68 Cb -0.04 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1e9o s LYS 68 CO 0.28 -0.79 1.23 -1.58 -0.92 0.00 0.00 175.35 173.57 1e9o s HIS 69 N -2.98 3.28 0.05 3.18 5.65 -0.51 -3.05 115.29 120.90 1e9o s HIS 69 Ca 0.55 1.49 -0.00 0.00 0.25 0.00 0.00 55.06 57.35 1e9o s HIS 69 Cb -0.10 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1e9o s HIS 69 CO 0.43 -1.37 0.06 0.41 -0.65 0.00 0.00 174.74 173.63 1e9o n GLY 70 N 1.21 3.11 3.97 1.59 0.00 -1.24 -4.39 105.19 109.44 1e9o n GLY 70 Ca 0.01 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 1e9o n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e9o s GLY 71 N -1.29 1.80 0.52 -0.02 0.00 -1.20 -4.68 107.32 102.44 1e9o s GLY 71 Ca 0.04 -1.32 0.26 0.00 0.00 0.00 0.00 44.72 43.70 1e9o s GLY 71 CO 0.03 -0.98 2.08 -0.56 0.00 0.00 0.00 173.10 173.67 1e9o h PRO 72 N -0.11 0.00 -0.01 2.90 0.13 -1.87 -2.17 132.00 130.87 1e9o h PRO 72 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1e9o h PRO 72 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1e9o h PRO 72 CO 0.52 0.11 -0.01 1.63 -0.23 0.00 0.00 178.00 180.02 1e9o n LYS 73 N -3.75 1.63 -2.95 0.86 5.02 -1.26 -4.91 118.16 112.80 1e9o n LYS 73 Ca -0.02 -0.94 -0.36 0.00 -2.02 0.00 0.00 58.31 54.97 1e9o n LYS 73 Cb 0.22 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1e9o n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e9o s ASP 74 N -2.02 7.14 0.22 4.39 1.01 -0.82 -4.98 116.67 121.61 1e9o s ASP 74 Ca 0.38 1.60 0.05 0.00 0.71 0.00 0.00 52.55 55.29 1e9o s ASP 74 Cb 0.21 -2.49 0.17 0.00 1.01 0.00 0.00 42.92 41.82 1e9o s ASP 74 CO 0.34 -0.07 1.50 -0.08 0.21 0.00 0.00 175.17 177.08 1e9o h GLU 75 N 3.07 0.18 -4.05 8.23 4.81 -1.91 -3.37 114.58 121.55 1e9o h GLU 75 Ca -0.48 -0.15 -0.77 0.00 -0.13 0.00 0.00 59.36 57.84 1e9o h GLU 75 Cb 1.19 0.03 -0.24 0.00 0.63 0.00 0.00 28.75 30.36 1e9o h GLU 75 CO 0.65 0.81 -0.09 -2.00 -0.73 0.00 0.00 179.01 177.64 1e9o s GLU 76 N -3.54 3.19 0.20 1.92 2.56 -1.26 -4.99 118.70 116.78 1e9o s GLU 76 Ca -0.03 -1.92 -0.16 0.00 0.00 0.00 0.00 54.97 52.86 1e9o s GLU 76 Cb 0.11 -4.34 0.02 0.00 2.00 0.00 0.00 34.13 31.92 1e9o s GLU 76 CO 0.80 -1.33 0.50 -0.98 -0.56 0.00 0.00 175.26 173.68 1e9o s ARG 77 N 1.23 1.39 0.60 4.30 1.70 -1.17 -3.62 118.95 123.38 1e9o s ARG 77 Ca 0.08 -0.96 -0.11 0.00 -0.47 0.00 0.00 55.73 54.27 1e9o s ARG 77 Cb -0.23 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1e9o s ARG 77 CO -0.01 -0.58 1.01 -1.01 -1.08 0.00 0.00 175.30 173.63 1e9o s HIS 78 N -3.91 3.60 0.28 5.89 3.76 -1.22 -4.64 115.29 119.06 1e9o s HIS 78 Ca 0.12 1.28 -0.03 0.00 -0.15 0.00 0.00 55.06 56.28 1e9o s HIS 78 Cb -0.01 -2.70 0.39 0.00 1.11 0.00 0.00 32.58 31.37 1e9o s HIS 78 CO -0.00 -0.62 1.90 0.28 -0.85 0.00 0.00 174.74 175.45 1e9o h VAL 79 N -0.13 1.22 0.00 -0.90 2.07 -1.87 -2.09 116.25 114.55 1e9o h VAL 79 Ca -0.45 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1e9o h VAL 79 Cb 1.19 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1e9o h VAL 79 CO 0.62 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1e9o n GLY 80 N -1.19 -0.99 3.56 2.17 0.00 -0.62 -4.50 105.19 103.61 1e9o n GLY 80 Ca 0.08 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1e9o n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9o s ASP 81 N -1.52 6.40 -0.02 1.61 1.01 -0.79 -0.42 116.67 122.94 1e9o s ASP 81 Ca 0.25 -1.15 0.21 0.00 0.71 0.00 0.00 52.55 52.57 1e9o s ASP 81 Cb 0.11 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 42.13 1e9o s ASP 81 CO 0.19 -1.60 1.55 0.18 0.21 0.00 0.00 175.17 175.69 1e9o n LEU 82 N 9.00 4.08 0.00 1.23 4.77 -1.13 -3.85 117.00 131.10 1e9o n LEU 82 Ca 0.24 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1e9o n LEU 82 Cb 0.50 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e9o n LEU 82 CO 0.67 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 1e9o n GLY 83 N 1.51 0.36 3.40 -0.72 0.00 -1.24 -4.79 105.19 103.71 1e9o n GLY 83 Ca 0.24 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1e9o n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1e9o s ASN 84 N -4.00 3.31 0.19 1.61 0.01 -1.26 -0.75 114.94 114.06 1e9o s ASN 84 Ca 0.00 -0.82 0.06 0.00 -0.71 0.00 0.00 52.86 51.40 1e9o s ASN 84 Cb 0.00 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 1e9o s ASN 84 CO 0.00 0.13 0.08 0.68 -1.51 0.00 0.00 177.10 176.49 1e9o s VAL 85 N -1.46 4.12 -0.17 1.60 -7.23 0.18 -4.89 120.40 112.56 1e9o s VAL 85 Ca 0.18 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1e9o s VAL 85 Cb -0.09 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1e9o s VAL 85 CO 0.08 -0.17 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.62 1e9o s THR 86 N -1.84 2.18 0.03 5.32 2.01 -1.26 -0.45 115.64 121.63 1e9o s THR 86 Ca 0.30 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1e9o s THR 86 Cb -0.09 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1e9o s THR 86 CO 0.22 0.53 0.39 0.00 -0.69 0.00 0.00 174.62 175.07 1e9o s ALA 87 N 1.11 3.72 0.80 7.40 0.00 -0.35 -4.13 121.76 130.32 1e9o s ALA 87 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1e9o s ALA 87 Cb -0.14 -2.30 0.12 0.00 0.00 0.00 0.00 23.12 20.79 1e9o s ALA 87 CO -0.08 0.53 0.75 -0.40 0.00 0.00 0.00 175.76 176.56 1e9o n ASP 88 N 1.39 0.48 0.24 0.00 5.68 -0.81 -0.67 116.55 122.86 1e9o n ASP 88 Ca -0.11 -1.53 0.17 0.00 -0.50 0.00 0.00 54.79 52.82 1e9o n ASP 88 Cb 0.52 -0.53 0.88 0.00 -1.14 0.00 0.00 41.12 40.85 1e9o n ASP 88 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1e9o h SER 89 N -0.75 0.00 -0.16 -1.12 4.64 -1.96 0.32 113.55 114.52 1e9o h SER 89 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1e9o h SER 89 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1e9o h SER 89 CO 0.21 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.76 1e9o n ASN 90 N -3.68 1.70 -0.09 4.97 3.02 -1.26 -4.85 115.26 115.07 1e9o n ASN 90 Ca 0.00 -1.70 -0.01 0.00 -0.03 0.00 0.00 54.58 52.84 1e9o n ASN 90 Cb 0.28 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1e9o n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e9o n GLY 91 N 1.14 0.48 3.55 7.41 0.00 0.11 -4.66 105.19 113.22 1e9o n GLY 91 Ca 0.16 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 1e9o n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9o s VAL 92 N -2.04 5.04 -0.17 1.61 1.01 -1.25 -2.09 120.40 122.51 1e9o s VAL 92 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1e9o s VAL 92 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1e9o s VAL 92 CO 0.00 0.27 0.05 0.00 0.00 0.00 0.00 175.10 175.41 1e9o s ALA 93 N 1.72 3.36 -0.24 5.51 0.00 0.13 -1.92 121.76 130.32 1e9o s ALA 93 Ca 0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1e9o s ALA 93 Cb -0.16 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1e9o s ALA 93 CO 0.09 0.22 0.16 0.42 0.00 0.00 0.00 175.76 176.65 1e9o s ILE 94 N 0.27 5.34 -0.18 0.00 -1.09 -1.26 -0.93 121.20 123.35 1e9o s ILE 94 Ca 0.03 0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.52 1e9o s ILE 94 Cb -0.13 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1e9o s ILE 94 CO 0.01 0.34 0.14 -0.69 -1.23 0.00 0.00 174.94 173.51 1e9o s VAL 95 N 1.09 5.42 -0.42 2.92 1.01 0.82 -4.71 120.40 126.53 1e9o s VAL 95 Ca 0.07 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1e9o s VAL 95 Cb -0.14 -3.47 0.18 0.00 0.00 0.00 0.00 36.38 32.96 1e9o s VAL 95 CO 0.05 0.47 0.68 -0.62 0.00 0.00 0.00 175.10 175.68 1e9o s ASP 96 N 0.10 -1.42 0.00 3.32 2.15 -1.23 -2.50 116.67 117.10 1e9o s ASP 96 Ca 0.10 -0.87 0.08 0.00 0.43 0.00 0.00 52.55 52.29 1e9o s ASP 96 Cb -0.11 1.82 -0.02 0.00 -0.30 0.00 0.00 42.92 44.30 1e9o s ASP 96 CO -0.01 -0.14 -0.25 -0.63 -0.17 0.00 0.00 175.17 173.98 1e9o s ILE 97 N 1.71 1.97 -0.22 4.11 1.01 -0.56 -4.99 121.20 124.23 1e9o s ILE 97 Ca 0.18 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1e9o s ILE 97 Cb -0.03 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.81 1e9o s ILE 97 CO -0.07 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.55 1e9o s VAL 98 N -0.65 2.69 -0.04 2.92 1.01 -1.26 -0.87 120.40 124.19 1e9o s VAL 98 Ca 0.10 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1e9o s VAL 98 Cb -0.10 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1e9o s VAL 98 CO 0.00 0.34 -0.21 -0.62 0.00 0.00 0.00 175.10 174.61 1e9o s ASP 99 N 1.33 2.55 0.04 3.32 2.15 -0.62 -4.97 116.67 120.48 1e9o s ASP 99 Ca 0.02 -0.41 0.23 0.00 0.43 0.00 0.00 52.55 52.83 1e9o s ASP 99 Cb -0.15 -0.54 0.17 0.00 -0.30 0.00 0.00 42.92 42.10 1e9o s ASP 99 CO -0.07 0.22 1.15 -0.81 -0.17 0.00 0.00 175.17 175.49 1e9o n PRO 100 N 2.85 0.18 0.02 4.34 -0.04 -1.26 -1.07 135.00 140.01 1e9o n PRO 100 Ca -0.17 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 1e9o n PRO 100 Cb 0.53 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1e9o n PRO 100 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1e9o h LEU 101 N 0.00 0.45-10.18 1.53 -0.00 -1.92 -3.45 115.31 101.74 1e9o h LEU 101 Ca 0.00 -0.94 -0.51 0.00 -0.00 0.00 0.00 57.88 56.43 1e9o h LEU 101 Cb 0.64 -0.15 0.10 0.00 -0.00 0.00 0.00 40.66 41.25 1e9o h LEU 101 CO 0.00 1.83 0.38 0.27 -0.00 0.00 0.00 178.44 180.92 1e9o s ILE 102 N -2.55 3.26 0.13 1.22 -4.36 -1.26 -4.88 121.20 112.76 1e9o s ILE 102 Ca -0.21 0.61 -0.01 0.00 -0.26 0.00 0.00 60.65 60.78 1e9o s ILE 102 Cb 0.06 -3.14 -0.04 0.00 1.25 0.00 0.00 42.46 40.59 1e9o s ILE 102 CO 0.78 -0.34 0.06 -0.55 0.24 0.00 0.00 174.94 175.14 1e9o s SER 103 N -2.47 0.30 0.00 4.36 0.15 -1.14 -4.44 113.70 110.45 1e9o s SER 103 Ca 0.68 -1.22 0.15 0.00 0.70 0.00 0.00 55.95 56.27 1e9o s SER 103 Cb -0.21 0.30 0.28 0.00 -1.71 0.00 0.00 66.02 64.68 1e9o s SER 103 CO 0.39 -0.73 1.18 0.18 1.20 0.00 0.00 173.24 175.46 1e9o n LEU 104 N -0.10 2.81 -3.95 3.45 4.77 -1.26 -1.54 117.00 121.18 1e9o n LEU 104 Ca -0.05 -1.49 -0.09 0.00 -0.03 0.00 0.00 56.01 54.34 1e9o n LEU 104 Cb 0.64 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1e9o n LEU 104 CO 0.31 0.62 0.14 -0.94 -1.33 0.00 0.00 177.39 176.19 1e9o s SER 105 N -1.16 -0.09 0.39 -1.43 1.04 -1.26 -3.77 113.70 107.42 1e9o s SER 105 Ca 0.26 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1e9o s SER 105 Cb 0.15 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1e9o s SER 105 CO 0.21 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1e9o n GLY 106 N -0.33 -0.77 0.37 7.32 0.00 -1.26 -3.65 105.19 106.87 1e9o n GLY 106 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1e9o n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1e9o h GLU 107 N 0.00 1.23 -0.67 1.61 5.08 -2.00 -2.55 114.58 117.28 1e9o h GLU 107 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1e9o h GLU 107 Cb 0.00 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1e9o h GLU 107 CO 0.00 0.81 0.00 0.66 -1.00 0.00 0.00 179.01 179.48 1e9o n TYR 108 N -4.43 1.05 -1.71 4.33 4.01 -1.26 -4.95 117.16 114.20 1e9o n TYR 108 Ca 0.13 -0.39 -0.43 0.00 -0.16 0.00 0.00 57.90 57.05 1e9o n TYR 108 Cb 0.08 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 1e9o n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9o n SER 109 N 0.48 3.40 -0.95 7.72 2.88 -0.96 -2.91 113.62 123.28 1e9o n SER 109 Ca 0.16 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.92 1e9o n SER 109 Cb 0.68 -1.51 0.16 0.00 -0.75 0.00 0.00 64.21 62.79 1e9o n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1e9o n ILE 110 N 2.48 0.37 -2.00 2.46 -5.35 -0.59 -4.90 119.36 111.83 1e9o n ILE 110 Ca 0.12 -0.69 -0.42 0.00 -0.27 0.00 0.00 62.75 61.50 1e9o n ILE 110 Cb 0.34 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1e9o n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1e9o s ILE 111 N -1.44 2.70 0.00 7.28 -1.09 -1.26 -1.34 121.20 126.05 1e9o s ILE 111 Ca 0.31 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 1e9o s ILE 111 Cb 0.19 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1e9o s ILE 111 CO 0.27 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1e9o n GLY 112 N 2.72 0.78 1.15 6.18 0.00 -0.18 -5.00 105.19 110.85 1e9o n GLY 112 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1e9o n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o n ARG 113 N -2.20 1.05 -5.06 1.61 1.74 -0.45 -2.69 116.66 110.66 1e9o n ARG 113 Ca 0.00 -0.97 -0.32 0.00 -0.77 0.00 0.00 57.85 55.79 1e9o n ARG 113 Cb 0.00 0.01 -0.16 0.00 -1.02 0.00 0.00 32.46 31.29 1e9o n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1e9o s THR 114 N -0.40 2.47 -0.07 0.55 2.01 -1.11 -0.86 115.64 118.23 1e9o s THR 114 Ca 0.14 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1e9o s THR 114 Cb -0.01 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1e9o s THR 114 CO 0.09 0.55 0.31 -0.04 -0.69 0.00 0.00 174.62 174.85 1e9o s MET 115 N 0.17 3.89 -0.02 4.92 -1.94 -0.46 -0.49 119.30 125.36 1e9o s MET 115 Ca -0.11 0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.10 1e9o s MET 115 Cb -0.16 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.41 1e9o s MET 115 CO 0.06 0.59 -0.14 0.08 -0.01 0.00 0.00 175.02 175.60 1e9o s VAL 116 N -0.64 1.13 -0.17 -6.03 1.01 -0.05 -2.10 120.40 113.56 1e9o s VAL 116 Ca 0.20 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1e9o s VAL 116 Cb -0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1e9o s VAL 116 CO 0.09 0.33 -0.09 0.54 0.00 0.00 0.00 175.10 175.96 1e9o s VAL 117 N -0.08 3.19 0.35 2.92 0.11 -0.78 -1.72 120.40 124.40 1e9o s VAL 117 Ca 0.00 -0.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.52 1e9o s VAL 117 Cb -0.08 -2.39 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1e9o s VAL 117 CO 0.01 0.49 0.51 -1.00 -3.33 0.00 0.00 175.10 171.77 1e9o s HIS 118 N 0.82 3.17 0.13 1.54 3.76 0.08 -0.86 115.29 123.94 1e9o s HIS 118 Ca -0.03 -0.10 -0.18 0.00 -0.15 0.00 0.00 55.06 54.60 1e9o s HIS 118 Cb -0.15 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1e9o s HIS 118 CO 0.01 -0.05 1.79 1.49 -0.85 0.00 0.00 174.74 177.13 1e9o h GLU 119 N 0.81 0.36 -5.65 1.40 4.81 -0.66 -3.36 114.58 112.28 1e9o h GLU 119 Ca -0.46 -0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.12 1e9o h GLU 119 Cb 1.25 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1e9o h GLU 119 CO 0.55 0.24 -0.40 0.15 -0.73 0.00 0.00 179.01 178.82 1e9o s LYS 120 N -6.15 2.23 0.52 1.92 1.02 0.10 -4.91 119.74 114.48 1e9o s LYS 120 Ca -0.13 -2.14 -0.21 0.00 0.02 0.00 0.00 55.97 53.50 1e9o s LYS 120 Cb 0.09 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.47 1e9o s LYS 120 CO 0.70 -0.47 1.18 -2.14 -0.92 0.00 0.00 175.35 173.70 1e9o s PRO 121 N -4.09 3.43 -0.15 -1.68 0.02 -1.16 -1.04 135.00 130.32 1e9o s PRO 121 Ca 0.24 1.79 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 1e9o s PRO 121 Cb -0.00 -2.18 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 1e9o s PRO 121 CO 0.14 -0.83 0.69 0.34 -0.33 0.00 0.00 177.00 177.01 1e9o s ASP 122 N -1.48 6.83 0.00 2.53 -1.08 -1.26 -3.94 116.67 118.27 1e9o s ASP 122 Ca 0.70 1.01 0.21 0.00 -0.52 0.00 0.00 52.55 53.94 1e9o s ASP 122 Cb -0.29 -2.39 0.98 0.00 -1.46 0.00 0.00 42.92 39.76 1e9o s ASP 122 CO 0.33 -0.25 1.66 -0.90 0.52 0.00 0.00 175.17 176.54 1e9o n ASP 123 N 4.68 0.83 -1.68 -0.34 5.68 0.44 -4.88 116.55 121.28 1e9o n ASP 123 Ca -0.00 -1.54 -0.16 0.00 -0.50 0.00 0.00 54.79 52.59 1e9o n ASP 123 Cb 0.50 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1e9o n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1e9o n LEU 124 N -0.24 -1.57 -0.04 -2.12 4.77 -1.26 -2.43 117.00 114.10 1e9o n LEU 124 Ca 0.16 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.25 1e9o n LEU 124 Cb 0.20 -2.40 -0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1e9o n LEU 124 CO 0.12 -0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 176.39 1e9o n GLY 125 N -1.00 0.44 0.41 -0.72 0.00 -1.25 -3.28 105.19 99.80 1e9o n GLY 125 Ca -0.19 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.06 1e9o n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o n ARG 126 N -2.96 1.11 0.14 1.61 1.74 -1.02 -4.77 116.66 112.53 1e9o n ARG 126 Ca -0.01 -2.57 0.13 0.00 -0.77 0.00 0.00 57.85 54.64 1e9o n ARG 126 Cb 0.02 -1.29 0.40 0.00 -1.02 0.00 0.00 32.46 30.57 1e9o n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1e9o h GLY 127 N 0.40 0.00 0.00 -0.13 0.00 -1.90 -3.47 103.07 97.97 1e9o h GLY 127 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1e9o h GLY 127 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1e9o n GLY 128 N 0.91 3.14 4.03 4.60 0.00 -1.26 -4.99 105.19 111.62 1e9o n GLY 128 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1e9o n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9o s ASN 129 N -0.56 5.10 0.07 1.61 2.20 -1.26 -5.04 114.94 117.06 1e9o s ASN 129 Ca 0.00 -0.78 -0.10 0.00 -0.94 0.00 0.00 52.86 51.04 1e9o s ASN 129 Cb 0.00 0.20 -0.25 0.00 -2.00 0.00 0.00 41.25 39.20 1e9o s ASN 129 CO 0.00 -1.33 1.15 -0.08 -2.94 0.00 0.00 177.10 173.90 1e9o h GLU 130 N 0.17 0.50 -0.47 3.55 4.81 -2.01 -3.21 114.58 117.91 1e9o h GLU 130 Ca -0.31 -0.67 0.06 0.00 -0.13 0.00 0.00 59.36 58.30 1e9o h GLU 130 Cb 1.29 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.86 1e9o h GLU 130 CO 0.41 1.29 0.32 1.49 -0.73 0.00 0.00 179.01 181.79 1e9o h GLU 131 N 0.22 0.40 -0.87 1.92 4.57 -2.00 -1.42 114.58 117.40 1e9o h GLU 131 Ca -0.16 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.14 1e9o h GLU 131 Cb 1.87 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 30.30 1e9o h GLU 131 CO 0.22 0.26 0.56 1.03 -1.18 0.00 0.00 179.01 179.90 1e9o h SER 132 N 0.41 0.62 1.37 1.04 0.87 -1.89 -1.08 113.55 114.89 1e9o h SER 132 Ca 0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1e9o h SER 132 Cb 0.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1e9o h SER 132 CO -0.05 0.31 0.00 0.74 -0.53 0.00 0.00 176.83 177.30 1e9o h THR 133 N 0.66 0.00 0.00 2.23 2.02 -1.38 -2.59 112.91 113.85 1e9o h THR 133 Ca 0.44 -0.64 -0.27 0.00 0.77 0.00 0.00 66.41 66.70 1e9o h THR 133 Cb 0.73 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1e9o h THR 133 CO -0.19 0.00 -1.84 0.29 0.37 0.00 0.00 175.52 174.15 1e9o n LYS 134 N -2.91 0.45 0.00 6.66 4.76 -0.70 -1.42 118.16 125.01 1e9o n LYS 134 Ca 0.02 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1e9o n LYS 134 Cb 0.39 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1e9o n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1e9o n THR 135 N -4.07 0.00 -0.98 -0.18 -2.24 -0.49 -4.64 114.28 101.68 1e9o n THR 135 Ca -0.35 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1e9o n THR 135 Cb 0.70 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 1e9o n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e9o n GLY 136 N 0.75 0.47 2.97 3.38 0.00 -0.97 -3.17 105.19 108.61 1e9o n GLY 136 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1e9o n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e9o n ASN 137 N 0.62 -5.77 0.09 1.61 3.02 -1.25 -0.42 115.26 113.15 1e9o n ASN 137 Ca 0.00 -0.25 0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1e9o n ASN 137 Cb 0.00 -4.70 0.44 0.00 -0.61 0.00 0.00 39.78 34.91 1e9o n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e9o n ALA 138 N -3.33 2.28 -0.07 5.41 0.00 -1.19 -4.68 120.51 118.92 1e9o n ALA 138 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1e9o n ALA 138 Cb 0.62 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1e9o n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9o n GLY 139 N 1.31 -1.01 3.36 0.00 0.00 -1.26 0.01 105.19 107.60 1e9o n GLY 139 Ca 0.06 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1e9o n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e9o n SER 140 N 0.06 -2.40 -4.53 1.61 7.64 -1.26 -4.60 113.62 110.14 1e9o n SER 140 Ca 0.00 0.44 -0.41 0.00 1.01 0.00 0.00 58.87 59.91 1e9o n SER 140 Cb 0.00 -1.12 -0.09 0.00 -1.01 0.00 0.00 64.21 61.99 1e9o n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1e9o s ARG 141 N -2.82 3.44 0.05 1.43 0.52 -1.26 -0.40 118.95 119.92 1e9o s ARG 141 Ca 0.58 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 55.26 1e9o s ARG 141 Cb -0.29 -3.85 -0.29 0.00 0.52 0.00 0.00 34.95 31.04 1e9o s ARG 141 CO 0.66 -0.63 1.05 -0.07 0.02 0.00 0.00 175.30 176.33 1e9o h LEU 142 N 8.88 0.47 -7.22 2.53 3.38 -1.29 -3.47 115.31 118.57 1e9o h LEU 142 Ca -0.29 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.09 1e9o h LEU 142 Cb 1.13 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 1e9o h LEU 142 CO 0.73 1.42 0.02 0.00 0.09 0.00 0.00 178.44 180.70 1e9o s ALA 143 N -2.64 -1.29 0.20 1.53 0.00 -1.18 -4.20 121.76 114.19 1e9o s ALA 143 Ca -0.06 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1e9o s ALA 143 Cb 0.07 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.59 1e9o s ALA 143 CO 0.88 -0.49 0.58 0.00 0.00 0.00 0.00 175.76 176.73 1e9o s GLY 145 N -2.84 -0.60 0.12 0.00 0.00 -0.89 -1.51 107.32 101.59 1e9o s GLY 145 Ca 0.07 0.80 -0.27 0.00 0.00 0.00 0.00 44.72 45.32 1e9o s GLY 145 CO -0.04 0.46 0.84 0.14 0.00 0.00 0.00 173.10 174.50 1e9o s VAL 146 N -2.80 4.48 -0.14 1.40 1.01 -1.26 -1.36 120.40 121.73 1e9o s VAL 146 Ca -0.03 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 1e9o s VAL 146 Cb -0.01 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1e9o s VAL 146 CO -0.04 0.41 0.99 -0.63 0.00 0.00 0.00 175.10 175.83 1e9o s ILE 147 N -0.49 4.77 0.22 2.22 1.01 -0.04 -4.53 121.20 124.36 1e9o s ILE 147 Ca 0.40 1.99 0.10 0.00 0.00 0.00 0.00 60.65 63.14 1e9o s ILE 147 Cb -0.23 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 1e9o s ILE 147 CO 0.27 -0.03 -0.20 -0.83 0.00 0.00 0.00 174.94 174.15 1e9o s GLY 148 N 1.13 1.67 0.19 6.18 0.00 0.10 -1.01 107.32 115.58 1e9o s GLY 148 Ca 0.46 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.18 1e9o s GLY 148 CO 0.15 -1.77 1.25 -0.42 0.00 0.00 0.00 173.10 172.31 1e9o s ILE 149 N -2.25 3.38 0.32 0.90 1.01 -1.26 -0.84 121.20 122.47 1e9o s ILE 149 Ca 0.23 1.15 0.09 0.00 0.00 0.00 0.00 60.65 62.12 1e9o s ILE 149 Cb -0.05 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1e9o s ILE 149 CO 0.11 0.18 0.05 0.00 0.00 0.00 0.00 174.94 175.27 1e9o s ALA 150 N 0.03 3.29 -2.00 9.38 0.00 -0.53 -4.78 121.76 127.14 1e9o s ALA 150 Ca 0.55 -1.86 0.23 0.00 0.00 0.00 0.00 51.96 50.88 1e9o s ALA 150 Cb -0.35 -0.57 1.40 0.00 0.00 0.00 0.00 23.12 23.60 1e9o s ALA 150 CO 0.38 0.10 1.76 1.17 0.00 0.00 0.00 175.76 179.17