#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sda n THR 2 N 0.00 0.00 -4.04 0.00 -2.24 -1.26 -4.60 114.28 102.14 1sda n THR 2 Ca 0.00 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1sda n THR 2 Cb 0.00 1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.37 1sda n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sda s LYS 3 N -0.24 0.41 0.16 -0.78 -0.14 -1.26 -0.34 119.74 117.56 1sda s LYS 3 Ca 0.00 -0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 53.89 1sda s LYS 3 Cb 0.00 -0.17 0.03 0.00 -1.68 0.00 0.00 37.83 36.00 1sda s LYS 3 CO 0.00 0.03 0.45 0.00 -0.76 0.00 0.00 175.35 175.06 1sda s ALA 4 N -1.09 -0.83 0.11 5.17 0.00 -0.80 -2.49 121.76 121.83 1sda s ALA 4 Ca -0.09 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 1sda s ALA 4 Cb -0.08 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1sda s ALA 4 CO -0.00 -0.72 0.20 0.54 0.00 0.00 0.00 175.76 175.77 1sda s VAL 5 N -3.86 0.12 -0.19 0.00 0.11 0.06 -2.23 120.40 114.42 1sda s VAL 5 Ca 0.08 -1.32 -0.08 0.00 -2.93 0.00 0.00 61.98 57.73 1sda s VAL 5 Cb 0.01 -1.53 0.08 0.00 -1.53 0.00 0.00 36.38 33.40 1sda s VAL 5 CO -0.06 -0.56 0.42 0.00 -3.33 0.00 0.00 175.10 171.57 1sda s VAL 7 N 2.12 4.61 -0.29 0.00 -7.23 -1.26 -0.19 120.40 118.15 1sda s VAL 7 Ca -0.05 -0.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 1sda s VAL 7 Cb -0.10 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1sda s VAL 7 CO -0.13 0.17 0.88 -0.76 -0.31 0.00 0.00 175.10 174.95 1sda s LEU 8 N 1.63 4.05 0.10 1.32 1.43 0.12 -4.23 118.68 123.11 1sda s LEU 8 Ca 0.05 0.86 0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1sda s LEU 8 Cb -0.16 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1sda s LEU 8 CO 0.06 -0.66 -0.23 -0.54 0.23 0.00 0.00 176.35 175.21 1sda s LYS 9 N 3.11 1.25 0.00 1.70 1.02 -0.72 -1.83 119.74 124.27 1sda s LYS 9 Ca 0.37 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1sda s LYS 9 Cb -0.14 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1sda s LYS 9 CO 0.12 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1sda n GLY 10 N 1.14 5.97 1.01 -3.33 0.00 -1.24 -1.86 105.19 106.89 1sda n GLY 10 Ca -0.19 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.36 1sda n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sda n ASP 11 N 0.00 3.09 0.00 1.61 8.00 -1.26 -4.92 116.55 123.07 1sda n ASP 11 Ca 0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1sda n ASP 11 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1sda n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sda n GLY 12 N 1.40 2.72 1.46 0.44 0.00 -1.26 -5.02 105.19 104.93 1sda n GLY 12 Ca 0.17 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1sda n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sda n PRO 13 N 0.00 3.19 -3.13 1.61 -0.04 -1.26 -4.92 135.00 130.44 1sda n PRO 13 Ca 0.00 -2.71 -0.40 0.00 -0.04 0.00 0.00 63.50 60.35 1sda n PRO 13 Cb 0.00 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 1sda n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sda s VAL 14 N -1.44 5.01 0.07 0.52 1.01 -1.26 -4.28 120.40 120.02 1sda s VAL 14 Ca 0.49 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.62 1sda s VAL 14 Cb 0.29 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1sda s VAL 14 CO 0.29 0.06 -0.10 -1.10 0.00 0.00 0.00 175.10 174.25 1sda s GLN 15 N 2.32 0.72 0.16 2.72 -0.21 -0.72 -3.62 119.66 121.04 1sda s GLN 15 Ca 0.26 -0.98 -0.19 0.00 0.02 0.00 0.00 55.36 54.47 1sda s GLN 15 Cb -0.16 -0.48 0.04 0.00 1.00 0.00 0.00 33.01 33.42 1sda s GLN 15 CO 0.09 0.08 0.51 0.20 -2.12 0.00 0.00 175.29 174.05 1sda s GLY 16 N -2.03 -0.31 -0.19 3.09 0.00 -0.76 -0.63 107.32 106.50 1sda s GLY 16 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 1sda s GLY 16 CO 0.00 -0.15 -0.03 -1.59 0.00 0.00 0.00 173.10 171.33 1sda s THR 17 N -3.81 1.08 -0.11 0.90 2.01 -0.92 0.15 115.64 114.94 1sda s THR 17 Ca 0.05 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1sda s THR 17 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1sda s THR 17 CO -0.09 -0.01 0.00 -0.63 -0.69 0.00 0.00 174.62 173.21 1sda s ILE 18 N 1.62 4.31 0.14 1.82 -1.09 0.73 -3.04 121.20 125.70 1sda s ILE 18 Ca -0.01 -0.24 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1sda s ILE 18 Cb -0.17 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1sda s ILE 18 CO -0.07 0.57 -0.24 -1.00 -1.23 0.00 0.00 174.94 172.97 1sda s HIS 19 N -0.56 2.36 -0.03 3.97 3.76 0.30 -0.69 115.29 124.40 1sda s HIS 19 Ca 0.09 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.64 1sda s HIS 19 Cb -0.12 -1.25 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1sda s HIS 19 CO 0.02 0.38 0.07 -0.06 -0.85 0.00 0.00 174.74 174.30 1sda s PHE 20 N -1.21 -0.06 -0.06 1.40 0.40 -0.95 -1.15 117.98 116.36 1sda s PHE 20 Ca 0.16 0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1sda s PHE 20 Cb -0.10 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.38 1sda s PHE 20 CO 0.08 -0.08 0.13 -2.00 0.70 0.00 0.00 175.22 174.05 1sda s GLU 21 N 0.64 0.09 -0.18 0.44 2.12 -0.43 -1.91 118.70 119.47 1sda s GLU 21 Ca -0.05 0.31 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 1sda s GLU 21 Cb -0.07 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.19 1sda s GLU 21 CO -0.02 -0.13 1.02 0.00 -0.54 0.00 0.00 175.26 175.58 1sda s ALA 22 N 0.93 3.58 -0.35 6.30 0.00 0.54 -0.83 121.76 131.93 1sda s ALA 22 Ca -0.07 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1sda s ALA 22 Cb -0.09 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1sda s ALA 22 CO -0.04 -0.87 0.09 0.15 0.00 0.00 0.00 175.76 175.09 1sda s LYS 23 N 2.72 1.21 7.12 0.00 -0.14 0.14 -4.95 119.74 125.84 1sda s LYS 23 Ca 0.45 -1.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1sda s LYS 23 Cb -0.16 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 1sda s LYS 23 CO 0.11 -0.98 0.00 0.41 -0.76 0.00 0.00 175.35 174.12 1sda n GLY 24 N 4.36 1.84 1.41 -3.33 0.00 -1.26 -2.06 105.19 106.15 1sda n GLY 24 Ca 0.02 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.69 1sda n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sda n ASP 25 N 7.45 4.50 -4.59 1.61 2.03 -1.26 -4.93 116.55 121.37 1sda n ASP 25 Ca 0.00 -2.47 -0.24 0.00 0.52 0.00 0.00 54.79 52.60 1sda n ASP 25 Cb 0.00 -0.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.78 1sda n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1sda s THR 26 N -1.88 2.87 -0.21 5.18 -4.23 -0.88 -4.68 115.64 111.81 1sda s THR 26 Ca 0.47 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1sda s THR 26 Cb 0.31 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1sda s THR 26 CO 0.22 -0.32 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.21 1sda s VAL 27 N -2.45 3.06 -0.03 2.29 1.01 -0.34 -0.68 120.40 123.26 1sda s VAL 27 Ca 0.32 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1sda s VAL 27 Cb -0.04 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1sda s VAL 27 CO 0.18 0.44 1.07 -0.69 0.00 0.00 0.00 175.10 176.10 1sda s VAL 28 N 1.43 4.57 -0.10 2.92 1.01 -0.01 -0.95 120.40 129.28 1sda s VAL 28 Ca 0.05 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1sda s VAL 28 Cb -0.14 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1sda s VAL 28 CO -0.05 0.08 -0.23 -0.69 0.00 0.00 0.00 175.10 174.20 1sda s VAL 29 N 1.52 2.17 -0.01 2.92 1.01 0.20 -1.31 120.40 126.90 1sda s VAL 29 Ca 0.53 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1sda s VAL 29 Cb -0.23 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1sda s VAL 29 CO 0.24 0.56 0.13 -0.89 0.00 0.00 0.00 175.10 175.14 1sda s THR 30 N 0.30 0.06 0.00 3.92 2.01 -0.30 -1.44 115.64 120.19 1sda s THR 30 Ca -0.17 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1sda s THR 30 Cb -0.17 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1sda s THR 30 CO 0.08 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 1sda n GLY 31 N 1.84 0.45 3.33 4.40 0.00 -1.13 0.11 105.19 114.19 1sda n GLY 31 Ca -0.20 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 1sda n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sda s SER 32 N 0.00 2.97 -0.11 1.61 0.01 -1.17 0.18 113.70 117.19 1sda s SER 32 Ca 0.00 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1sda s SER 32 Cb 0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1sda s SER 32 CO 0.00 0.17 -0.02 -0.63 0.41 0.00 0.00 173.24 173.17 1sda s ILE 33 N -0.99 0.63 0.33 1.44 1.01 0.94 -2.16 121.20 122.41 1sda s ILE 33 Ca 0.11 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1sda s ILE 33 Cb -0.10 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1sda s ILE 33 CO 0.04 0.20 0.21 0.42 0.00 0.00 0.00 174.94 175.81 1sda s THR 34 N 1.86 3.33 0.00 2.92 -4.23 0.20 0.18 115.64 119.90 1sda s THR 34 Ca 0.04 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1sda s THR 34 Cb -0.13 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1sda s THR 34 CO -0.07 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1sda n GLY 35 N -1.25 0.74 3.86 3.99 0.00 -1.03 -1.76 105.19 109.74 1sda n GLY 35 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1sda n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sda s LEU 36 N 0.00 3.85 0.48 0.99 2.01 -0.74 -4.45 118.68 120.82 1sda s LEU 36 Ca 0.00 1.23 -0.20 0.00 0.01 0.00 0.00 54.13 55.17 1sda s LEU 36 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 46.19 42.01 1sda s LEU 36 CO 0.00 -0.39 1.03 0.42 1.01 0.00 0.00 176.35 178.43 1sda s THR 37 N -2.33 3.81 0.02 5.49 -4.23 -1.26 -4.04 115.64 113.10 1sda s THR 37 Ca 0.53 1.14 -0.34 0.00 -1.18 0.00 0.00 61.69 61.84 1sda s THR 37 Cb -0.10 -3.47 -0.17 0.00 1.34 0.00 0.00 72.50 70.10 1sda s THR 37 CO 0.28 -0.23 0.88 1.21 -0.54 0.00 0.00 174.62 176.22 1sda n GLU 38 N -0.91 0.00 0.00 3.99 2.13 -1.25 -4.50 120.64 120.10 1sda n GLU 38 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1sda n GLU 38 Cb 0.52 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1sda n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sda n GLY 39 N 1.36 0.09 3.75 8.31 0.00 0.98 -4.88 105.19 114.80 1sda n GLY 39 Ca 0.17 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1sda n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sda s ASP 40 N -4.00 5.98 -0.03 1.61 1.11 -1.26 0.69 116.67 120.77 1sda s ASP 40 Ca 0.00 0.26 0.01 0.00 0.18 0.00 0.00 52.55 53.00 1sda s ASP 40 Cb 0.00 -1.97 0.02 0.00 1.07 0.00 0.00 42.92 42.05 1sda s ASP 40 CO 0.00 0.28 -0.03 -1.00 1.18 0.00 0.00 175.17 175.60 1sda s HIS 41 N -0.28 0.58 0.58 4.23 3.76 0.06 -2.85 115.29 121.36 1sda s HIS 41 Ca 0.10 -0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 54.68 1sda s HIS 41 Cb -0.12 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1sda s HIS 41 CO 0.01 -0.15 1.27 0.20 -0.85 0.00 0.00 174.74 175.22 1sda s GLY 42 N 0.83 2.82 -0.30 -2.22 0.00 -0.82 -0.33 107.32 107.30 1sda s GLY 42 Ca -0.10 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 1sda s GLY 42 CO -0.00 1.60 0.11 -0.12 0.00 0.00 0.00 173.10 174.69 1sda s PHE 43 N -1.45 1.20 0.18 1.90 5.36 0.36 -2.13 117.98 123.39 1sda s PHE 43 Ca 0.75 -1.42 0.07 0.00 -0.96 0.00 0.00 56.93 55.38 1sda s PHE 43 Cb -0.35 -1.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1sda s PHE 43 CO 0.39 -0.86 -0.15 -1.01 -1.46 0.00 0.00 175.22 172.14 1sda s HIS 44 N 1.79 1.62 -0.18 10.12 3.76 -1.02 -2.43 115.29 128.96 1sda s HIS 44 Ca 0.09 -0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 54.25 1sda s HIS 44 Cb -0.17 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 1sda s HIS 44 CO -0.29 0.28 0.51 0.08 -0.85 0.00 0.00 174.74 174.48 1sda s VAL 45 N -2.68 5.12 0.32 -0.90 1.01 -0.15 -1.07 120.40 122.04 1sda s VAL 45 Ca 0.18 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1sda s VAL 45 Cb -0.02 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1sda s VAL 45 CO 0.05 0.21 0.40 -1.00 0.00 0.00 0.00 175.10 174.77 1sda s HIS 46 N 1.37 3.10 0.12 5.22 3.76 0.75 -0.76 115.29 128.85 1sda s HIS 46 Ca 0.25 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.86 1sda s HIS 46 Cb -0.15 -1.87 -0.12 0.00 1.11 0.00 0.00 32.58 31.55 1sda s HIS 46 CO 0.10 0.12 1.30 0.37 -0.85 0.00 0.00 174.74 175.78 1sda h GLN 47 N 1.04 0.61 -6.09 1.40 4.15 -0.33 -2.98 115.11 112.91 1sda h GLN 47 Ca -0.46 -0.57 -0.67 0.00 0.77 0.00 0.00 58.65 57.72 1sda h GLN 47 Cb 1.25 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.95 1sda h GLN 47 CO 0.55 1.19 -0.63 -0.06 -1.93 0.00 0.00 178.83 177.95 1sda s PHE 48 N -3.50 3.12 -0.29 3.99 0.08 0.43 -4.73 117.98 117.08 1sda s PHE 48 Ca -0.08 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1sda s PHE 48 Cb 0.09 -1.71 0.27 0.00 -0.57 0.00 0.00 43.02 41.10 1sda s PHE 48 CO 0.89 0.47 1.78 0.41 -0.10 0.00 0.00 175.22 178.67 1sda n GLY 49 N 1.56 3.78 3.47 4.36 0.00 -0.96 -3.49 105.19 113.91 1sda n GLY 49 Ca -0.15 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1sda n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sda s ASP 50 N -0.01 6.25 -0.31 1.61 -1.08 -1.26 -4.90 116.67 116.97 1sda s ASP 50 Ca 0.31 -0.76 0.08 0.00 -0.52 0.00 0.00 52.55 51.66 1sda s ASP 50 Cb 0.25 -2.31 0.48 0.00 -1.46 0.00 0.00 42.92 39.88 1sda s ASP 50 CO 0.02 -0.90 1.42 0.59 0.52 0.00 0.00 175.17 176.82 1sda n ASN 51 N 6.30 3.15 0.23 -0.34 5.03 -1.26 -2.85 115.26 125.51 1sda n ASN 51 Ca -0.05 -3.81 0.11 0.00 0.87 0.00 0.00 54.58 51.71 1sda n ASN 51 Cb 0.46 -0.59 0.39 0.00 -1.02 0.00 0.00 39.78 39.01 1sda n ASN 51 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1sda h THR 52 N 1.21 0.31 -1.11 3.41 1.35 -1.94 -3.06 112.91 113.09 1sda h THR 52 Ca 0.25 -1.08 -0.57 0.00 -0.55 0.00 0.00 66.41 64.45 1sda h THR 52 Cb 1.48 1.85 -0.42 0.00 -1.73 0.00 0.00 68.15 69.33 1sda h THR 52 CO 0.49 0.14 -0.76 1.67 -0.25 0.00 0.00 175.52 176.81 1sda n GLN 53 N -3.21 3.53 0.00 4.72 7.27 -1.26 -5.05 117.38 123.37 1sda n GLN 53 Ca 0.01 -4.32 0.00 0.00 0.07 0.00 0.00 57.00 52.77 1sda n GLN 53 Cb 0.46 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.85 1sda n GLN 53 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sda n GLY 54 N -0.61 3.11 0.00 1.69 0.00 -1.16 -2.45 105.19 105.77 1sda n GLY 54 Ca 0.42 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1sda n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sda h THR 56 N 0.00 1.30 0.00 0.00 2.02 -1.82 -3.00 112.91 111.41 1sda h THR 56 Ca 0.00 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1sda h THR 56 Cb 0.50 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1sda h THR 56 CO 0.00 0.54 0.00 -1.54 0.37 0.00 0.00 175.52 174.89 1sda n SER 57 N -3.99 0.04 0.23 4.18 3.41 -1.22 -3.12 113.62 113.16 1sda n SER 57 Ca -0.03 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 1sda n SER 57 Cb 0.58 -0.52 0.55 0.00 -0.26 0.00 0.00 64.21 64.56 1sda n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sda h ALA 58 N 2.56 1.12 0.00 7.33 0.00 -1.37 -3.40 119.26 125.50 1sda h ALA 58 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sda h ALA 58 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sda h ALA 58 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1sda n GLY 59 N -0.18 -1.69 3.93 0.00 0.00 -1.18 -0.43 105.19 105.64 1sda n GLY 59 Ca -0.01 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1sda n GLY 59 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sda s PRO 60 N 0.00 1.36 0.27 1.61 0.04 -1.26 -4.56 135.00 132.46 1sda s PRO 60 Ca 0.00 -0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 1sda s PRO 60 Cb 0.00 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1sda s PRO 60 CO 0.00 -1.90 1.20 0.72 0.04 0.00 0.00 177.00 177.06 1sda n HIS 61 N -3.41 1.73 -1.69 0.56 8.25 -1.26 -0.69 115.22 118.71 1sda n HIS 61 Ca 0.12 0.60 -0.50 0.00 -0.26 0.00 0.00 57.72 57.67 1sda n HIS 61 Cb 0.60 -2.35 -0.05 0.00 1.12 0.00 0.00 29.99 29.31 1sda n HIS 61 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1sda n PHE 62 N 0.90 2.27 -2.99 4.41 7.35 0.06 -4.57 117.46 124.89 1sda n PHE 62 Ca 0.10 0.11 -0.17 0.00 -0.76 0.00 0.00 57.45 56.73 1sda n PHE 62 Cb 0.31 -2.62 -0.02 0.00 0.35 0.00 0.00 39.48 37.51 1sda n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sda n ASN 63 N 6.35 -1.22 0.13 -2.13 5.15 -1.26 -2.12 115.26 120.17 1sda n ASN 63 Ca 0.23 -2.96 0.02 0.00 -0.60 0.00 0.00 54.58 51.27 1sda n ASN 63 Cb 0.26 0.47 0.35 0.00 -0.53 0.00 0.00 39.78 40.33 1sda n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sda h PRO 64 N 4.02 0.17 -0.12 1.20 0.13 -1.97 0.07 132.00 135.51 1sda h PRO 64 Ca -0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1sda h PRO 64 Cb 0.95 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1sda h PRO 64 CO 0.40 0.42 0.00 1.28 -0.23 0.00 0.00 178.00 179.87 1sda n LEU 65 N -4.18 1.10 -4.07 1.56 4.32 -1.26 -4.90 117.00 109.57 1sda n LEU 65 Ca -0.01 -0.47 -0.31 0.00 -0.02 0.00 0.00 56.01 55.20 1sda n LEU 65 Cb 0.35 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.05 1sda n LEU 65 CO 0.39 0.23 -0.10 -1.54 -1.22 0.00 0.00 177.39 175.15 1sda n SER 66 N -0.04 -2.20 -1.90 -1.43 3.41 0.01 -4.96 113.62 106.51 1sda n SER 66 Ca 0.15 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1sda n SER 66 Cb 0.23 -3.03 0.00 0.00 -0.26 0.00 0.00 64.21 61.16 1sda n SER 66 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sda n LYS 67 N -4.43 1.17 -4.05 4.33 5.02 -1.26 -5.10 118.16 113.84 1sda n LYS 67 Ca -0.10 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.94 1sda n LYS 67 Cb 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 1sda n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sda s LYS 68 N -0.50 3.04 0.09 1.97 3.01 -1.26 -4.81 119.74 121.27 1sda s LYS 68 Ca 0.00 -0.83 -0.31 0.00 -1.01 0.00 0.00 55.97 53.82 1sda s LYS 68 Cb 0.00 -2.71 -0.07 0.00 -1.01 0.00 0.00 37.83 34.04 1sda s LYS 68 CO 0.00 0.48 1.36 -1.58 0.51 0.00 0.00 175.35 176.12 1sda s HIS 69 N -1.80 3.22 0.00 3.18 5.65 0.10 -2.70 115.29 122.94 1sda s HIS 69 Ca 0.32 0.98 0.00 0.00 0.25 0.00 0.00 55.06 56.61 1sda s HIS 69 Cb -0.10 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1sda s HIS 69 CO 0.25 -2.24 0.00 0.41 -0.65 0.00 0.00 174.74 172.51 1sda n GLY 70 N 3.48 4.24 4.00 1.59 0.00 -1.22 -4.04 105.19 113.23 1sda n GLY 70 Ca 0.11 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1sda n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sda s GLY 71 N -0.52 1.92 0.33 -0.02 0.00 -1.22 -4.55 107.32 103.26 1sda s GLY 71 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1sda s GLY 71 CO 0.00 -1.58 1.96 -0.56 0.00 0.00 0.00 173.10 172.92 1sda h PRO 72 N 0.55 0.92 -0.00 2.90 0.13 -1.84 -2.65 132.00 132.01 1sda h PRO 72 Ca -0.37 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1sda h PRO 72 Cb 1.28 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1sda h PRO 72 CO 0.45 0.61 -0.18 1.63 -0.23 0.00 0.00 178.00 180.29 1sda n LYS 73 N -4.45 0.23 -4.20 0.86 5.02 -1.26 -4.88 118.16 109.48 1sda n LYS 73 Ca 0.10 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 1sda n LYS 73 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1sda n LYS 73 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1sda s ASP 74 N -2.82 4.73 0.06 4.39 1.47 -1.00 -5.03 116.67 118.46 1sda s ASP 74 Ca 0.18 -0.64 0.03 0.00 1.18 0.00 0.00 52.55 53.30 1sda s ASP 74 Cb 0.19 -0.88 -0.25 0.00 -0.34 0.00 0.00 42.92 41.64 1sda s ASP 74 CO 0.56 -0.11 1.05 -0.33 0.68 0.00 0.00 175.17 177.02 1sda h GLU 75 N 1.71 0.13 -5.50 2.11 3.07 -1.89 -3.39 114.58 110.81 1sda h GLU 75 Ca -0.45 -0.22 -0.63 0.00 -0.50 0.00 0.00 59.36 57.57 1sda h GLU 75 Cb 1.25 0.08 -0.14 0.00 -0.84 0.00 0.00 28.75 29.10 1sda h GLU 75 CO 0.61 1.01 0.79 -2.00 -1.40 0.00 0.00 179.01 178.02 1sda s GLU 76 N -2.66 3.31 0.15 2.33 2.56 -1.26 -4.95 118.70 118.18 1sda s GLU 76 Ca -0.04 -1.06 -0.21 0.00 0.00 0.00 0.00 54.97 53.67 1sda s GLU 76 Cb 0.08 -4.54 0.06 0.00 2.00 0.00 0.00 34.13 31.73 1sda s GLU 76 CO 0.84 -1.89 0.54 -0.98 -0.56 0.00 0.00 175.26 173.22 1sda s ARG 77 N 3.97 1.23 0.58 4.30 1.70 -1.10 -3.46 118.95 126.18 1sda s ARG 77 Ca 0.29 -0.57 -0.15 0.00 -0.47 0.00 0.00 55.73 54.83 1sda s ARG 77 Cb -0.11 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1sda s ARG 77 CO 0.03 -0.53 1.03 -1.01 -1.08 0.00 0.00 175.30 173.75 1sda s HIS 78 N -3.78 3.18 0.44 5.89 3.76 -1.19 -4.54 115.29 119.05 1sda s HIS 78 Ca 0.02 1.48 0.11 0.00 -0.15 0.00 0.00 55.06 56.52 1sda s HIS 78 Cb -0.00 -2.91 0.97 0.00 1.11 0.00 0.00 32.58 31.75 1sda s HIS 78 CO -0.12 -0.88 2.05 0.28 -0.85 0.00 0.00 174.74 175.22 1sda h VAL 79 N 0.42 1.09 -0.46 -0.90 2.07 -1.80 -2.00 116.25 114.68 1sda h VAL 79 Ca -0.46 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1sda h VAL 79 Cb 1.21 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1sda h VAL 79 CO 0.59 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1sda n GLY 80 N -1.32 1.27 3.49 2.17 0.00 -0.98 -4.34 105.19 105.47 1sda n GLY 80 Ca -0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1sda n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sda s ASP 81 N -0.96 6.46 0.00 1.61 1.01 -0.75 -0.98 116.67 123.05 1sda s ASP 81 Ca 0.31 -1.54 0.21 0.00 0.71 0.00 0.00 52.55 52.25 1sda s ASP 81 Cb 0.17 -2.46 0.52 0.00 1.01 0.00 0.00 42.92 42.16 1sda s ASP 81 CO 0.20 -1.32 1.45 0.18 0.21 0.00 0.00 175.17 175.89 1sda n LEU 82 N 7.62 3.12 0.00 1.23 4.77 -1.02 -3.66 117.00 129.06 1sda n LEU 82 Ca 0.19 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1sda n LEU 82 Cb 0.49 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1sda n LEU 82 CO 0.59 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1sda n GLY 83 N 1.44 1.55 3.27 -0.72 0.00 -1.21 -4.71 105.19 104.82 1sda n GLY 83 Ca 0.19 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1sda n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sda s ASN 84 N -4.00 2.16 -0.02 1.61 0.01 -1.26 -0.49 114.94 112.94 1sda s ASN 84 Ca 0.00 -0.87 0.04 0.00 -0.71 0.00 0.00 52.86 51.32 1sda s ASN 84 Cb 0.00 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 1sda s ASN 84 CO 0.00 -0.15 -0.14 0.54 -1.51 0.00 0.00 177.10 175.84 1sda s VAL 85 N -2.36 1.12 -0.26 1.60 0.11 0.55 -4.84 120.40 116.33 1sda s VAL 85 Ca 0.13 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1sda s VAL 85 Cb -0.04 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1sda s VAL 85 CO 0.04 0.32 0.00 -0.89 -3.33 0.00 0.00 175.10 171.24 1sda s THR 86 N -0.16 3.47 0.18 5.04 2.01 -1.26 -0.76 115.64 124.16 1sda s THR 86 Ca 0.02 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1sda s THR 86 Cb -0.07 -2.72 -0.08 0.00 0.01 0.00 0.00 72.50 69.64 1sda s THR 86 CO 0.00 0.22 0.78 0.00 -0.69 0.00 0.00 174.62 174.93 1sda s ALA 87 N 1.44 3.44 0.70 7.40 0.00 0.22 -4.25 121.76 130.71 1sda s ALA 87 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1sda s ALA 87 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1sda s ALA 87 CO -0.01 0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.64 1sda n ASP 88 N 1.48 0.00 0.18 0.00 5.68 -0.48 -0.01 116.55 123.40 1sda n ASP 88 Ca -0.05 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.37 1sda n ASP 88 Cb 0.49 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.91 1sda n ASP 88 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sda h LYS 89 N 0.00 0.00 -0.01 0.11 1.57 -1.96 -2.45 116.57 113.83 1sda h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sda h LYS 89 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sda h LYS 89 CO 0.00 0.00 -0.18 0.09 -0.57 0.00 0.00 179.45 178.79 1sda n ASN 90 N -2.65 1.09 0.00 0.86 4.13 -1.26 -4.90 115.26 112.54 1sda n ASN 90 Ca 0.03 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1sda n ASN 90 Cb 0.37 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 1sda n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sda n GLY 91 N 1.29 0.68 3.73 7.41 0.00 -0.92 -4.68 105.19 112.70 1sda n GLY 91 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1sda n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sda s VAL 92 N -2.11 5.17 -0.29 1.61 1.01 -1.26 -1.79 120.40 122.74 1sda s VAL 92 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1sda s VAL 92 Cb 0.00 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.64 1sda s VAL 92 CO 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 175.10 175.41 1sda s ALA 93 N 0.47 2.72 -0.16 5.51 0.00 0.13 -1.38 121.76 129.05 1sda s ALA 93 Ca 0.26 -2.00 -0.28 0.00 0.00 0.00 0.00 51.96 49.93 1sda s ALA 93 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1sda s ALA 93 CO 0.10 -1.37 0.98 0.42 0.00 0.00 0.00 175.76 175.90 1sda s ILE 94 N 1.08 4.78 -0.13 0.00 -1.09 -1.26 -0.04 121.20 124.54 1sda s ILE 94 Ca -0.02 1.95 -0.14 0.00 -2.23 0.00 0.00 60.65 60.20 1sda s ILE 94 Cb -0.20 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 1sda s ILE 94 CO -0.05 -0.04 0.34 -0.69 -1.23 0.00 0.00 174.94 173.27 1sda s VAL 95 N 2.38 5.25 -0.28 2.92 1.01 0.13 -4.79 120.40 127.02 1sda s VAL 95 Ca 0.45 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 1sda s VAL 95 Cb -0.17 -3.67 0.17 0.00 0.00 0.00 0.00 36.38 32.71 1sda s VAL 95 CO 0.13 0.42 0.51 -0.62 0.00 0.00 0.00 175.10 175.54 1sda s ASP 96 N 0.18 -0.70 -0.07 3.32 2.15 -1.24 -2.85 116.67 117.46 1sda s ASP 96 Ca 0.19 0.44 -0.05 0.00 0.43 0.00 0.00 52.55 53.56 1sda s ASP 96 Cb -0.14 1.69 0.03 0.00 -0.30 0.00 0.00 42.92 44.20 1sda s ASP 96 CO 0.07 -0.29 0.17 -0.63 -0.17 0.00 0.00 175.17 174.32 1sda s ILE 97 N 2.72 -0.02 -0.27 4.11 1.01 -0.52 -4.99 121.20 123.24 1sda s ILE 97 Ca 0.16 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1sda s ILE 97 Cb -0.14 -0.26 0.06 0.00 0.01 0.00 0.00 42.46 42.13 1sda s ILE 97 CO -0.21 0.04 -0.08 -0.69 0.00 0.00 0.00 174.94 173.99 1sda s VAL 98 N 0.67 2.07 -0.21 2.92 1.01 -1.26 0.59 120.40 126.19 1sda s VAL 98 Ca -0.05 -1.65 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1sda s VAL 98 Cb -0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1sda s VAL 98 CO -0.03 -0.11 0.03 -0.62 0.00 0.00 0.00 175.10 174.36 1sda s ASP 99 N 1.13 5.04 0.22 3.32 2.15 -0.13 -4.94 116.67 123.46 1sda s ASP 99 Ca -0.06 -0.16 -0.09 0.00 0.43 0.00 0.00 52.55 52.67 1sda s ASP 99 Cb -0.20 -1.87 0.20 0.00 -0.30 0.00 0.00 42.92 40.74 1sda s ASP 99 CO -0.06 0.05 1.90 1.55 -0.17 0.00 0.00 175.17 178.44 1sda h PRO 100 N 7.60 1.13 0.19 4.34 0.13 -1.86 -0.90 132.00 142.63 1sda h PRO 100 Ca -0.37 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 1sda h PRO 100 Cb 1.18 -0.25 0.03 0.00 0.13 0.00 0.00 31.00 32.09 1sda h PRO 100 CO 0.61 0.75 -1.34 1.25 -0.23 0.00 0.00 178.00 179.05 1sda h LEU 101 N 1.16 0.85-10.44 1.56 5.85 -1.91 -3.43 115.31 108.95 1sda h LEU 101 Ca 0.31 -0.88 -0.49 0.00 0.84 0.00 0.00 57.88 57.67 1sda h LEU 101 Cb -0.12 -0.27 0.11 0.00 0.37 0.00 0.00 40.66 40.74 1sda h LEU 101 CO -0.07 1.65 0.35 0.27 -0.34 0.00 0.00 178.44 180.31 1sda s ILE 102 N -2.77 3.03 0.23 4.05 -4.36 -1.26 -5.01 121.20 115.11 1sda s ILE 102 Ca -0.09 0.34 -0.10 0.00 -0.26 0.00 0.00 60.65 60.53 1sda s ILE 102 Cb 0.04 -3.14 -0.01 0.00 1.25 0.00 0.00 42.46 40.60 1sda s ILE 102 CO 0.94 -0.44 0.39 -0.55 0.24 0.00 0.00 174.94 175.52 1sda s SER 103 N -4.03 -0.04 0.00 4.36 0.15 -1.26 -4.44 113.70 108.44 1sda s SER 103 Ca 0.60 -1.01 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1sda s SER 103 Cb -0.14 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1sda s SER 103 CO 0.53 -1.06 0.57 0.18 1.20 0.00 0.00 173.24 174.66 1sda n LEU 104 N -0.35 1.17 -4.02 3.45 4.77 -1.26 -1.60 117.00 119.15 1sda n LEU 104 Ca -0.01 -1.05 -0.08 0.00 -0.03 0.00 0.00 56.01 54.84 1sda n LEU 104 Cb 0.63 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1sda n LEU 104 CO 0.25 0.28 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.29 1sda s SER 105 N -0.16 0.34 0.21 -1.43 1.04 -1.26 -3.67 113.70 108.77 1sda s SER 105 Ca 0.02 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1sda s SER 105 Cb 0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1sda s SER 105 CO 0.02 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1sda n GLY 106 N 0.93 -1.83 3.38 7.32 0.00 -1.26 -4.27 105.19 109.46 1sda n GLY 106 Ca -0.20 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 1sda n GLY 106 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sda n GLU 107 N -2.99 0.14 0.00 1.61 0.28 -1.26 -4.88 120.64 113.54 1sda n GLU 107 Ca -0.00 -0.68 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 1sda n GLU 107 Cb 0.36 -2.42 0.00 0.00 1.43 0.00 0.00 31.44 30.81 1sda n GLU 107 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1sda n SER 109 N 12.19 0.00 -0.89 -1.84 2.88 -1.26 -4.95 113.62 119.75 1sda n SER 109 Ca 0.35 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.02 1sda n SER 109 Cb 0.40 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 1sda n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sda n ILE 110 N -0.70 0.07 -1.94 2.46 -5.35 -0.63 -4.91 119.36 108.37 1sda n ILE 110 Ca 0.00 -0.48 -0.43 0.00 -0.27 0.00 0.00 62.75 61.57 1sda n ILE 110 Cb 0.00 1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1sda n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sda s ILE 111 N -1.93 3.45 0.00 7.28 -1.09 -1.26 -1.94 121.20 125.71 1sda s ILE 111 Ca 0.31 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1sda s ILE 111 Cb 0.20 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1sda s ILE 111 CO 0.31 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 1sda n GLY 112 N 4.79 0.63 0.70 6.18 0.00 0.14 -5.00 105.19 112.63 1sda n GLY 112 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1sda n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda n ARG 113 N -1.94 1.31 -5.08 1.61 1.74 -0.82 -2.26 116.66 111.23 1sda n ARG 113 Ca 0.00 -0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 56.13 1sda n ARG 113 Cb 0.00 0.06 -0.16 0.00 -1.02 0.00 0.00 32.46 31.34 1sda n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sda s THR 114 N -0.43 2.34 -0.20 0.55 2.01 -1.12 -0.41 115.64 118.38 1sda s THR 114 Ca 0.06 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1sda s THR 114 Cb -0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1sda s THR 114 CO 0.04 0.55 0.45 -0.32 -0.69 0.00 0.00 174.62 174.64 1sda s MET 115 N 0.36 4.18 -0.11 4.92 1.75 -0.29 -0.18 119.30 129.93 1sda s MET 115 Ca -0.16 0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.57 1sda s MET 115 Cb -0.17 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 1sda s MET 115 CO 0.08 -0.08 -0.14 0.08 -0.65 0.00 0.00 175.02 174.31 1sda s VAL 116 N 1.45 3.04 -0.11 10.11 1.01 -0.24 -1.92 120.40 133.73 1sda s VAL 116 Ca 0.21 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1sda s VAL 116 Cb -0.15 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1sda s VAL 116 CO 0.09 0.54 0.07 0.68 0.00 0.00 0.00 175.10 176.48 1sda s VAL 117 N 0.12 4.93 0.33 2.92 -7.23 -0.04 -2.44 120.40 118.98 1sda s VAL 117 Ca -0.06 -0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.17 1sda s VAL 117 Cb -0.15 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.64 1sda s VAL 117 CO 0.05 0.60 0.29 -1.00 -0.31 0.00 0.00 175.10 174.72 1sda s HIS 118 N -0.83 2.92 0.13 2.82 3.76 -0.91 -0.23 115.29 122.95 1sda s HIS 118 Ca 0.13 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1sda s HIS 118 Cb -0.12 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1sda s HIS 118 CO 0.03 0.20 1.55 1.49 -0.85 0.00 0.00 174.74 177.16 1sda h GLU 119 N 1.26 0.79 -5.77 1.40 4.57 -0.44 -3.40 114.58 112.98 1sda h GLU 119 Ca -0.45 -0.29 -0.59 0.00 -1.18 0.00 0.00 59.36 56.84 1sda h GLU 119 Cb 1.25 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.71 1sda h GLU 119 CO 0.58 0.91 -0.45 0.15 -1.18 0.00 0.00 179.01 179.02 1sda s LYS 120 N -4.83 2.23 0.34 1.92 1.02 -0.27 -4.87 119.74 115.26 1sda s LYS 120 Ca -0.12 -2.00 -0.26 0.00 0.02 0.00 0.00 55.97 53.60 1sda s LYS 120 Cb 0.10 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.39 1sda s LYS 120 CO 0.82 -0.30 1.01 -2.14 -0.92 0.00 0.00 175.35 173.82 1sda s PRO 121 N -4.00 4.46 0.19 -1.68 0.01 -1.13 -1.95 135.00 130.90 1sda s PRO 121 Ca 0.32 1.49 -0.31 0.00 0.01 0.00 0.00 61.00 62.52 1sda s PRO 121 Cb 0.02 -2.81 -0.10 0.00 0.01 0.00 0.00 34.50 31.62 1sda s PRO 121 CO 0.18 0.13 1.47 0.34 0.01 0.00 0.00 177.00 179.14 1sda s ASP 122 N -1.43 6.67 -0.15 2.53 -1.08 -1.26 -4.12 116.67 117.82 1sda s ASP 122 Ca 0.51 2.57 0.12 0.00 -0.52 0.00 0.00 52.55 55.24 1sda s ASP 122 Cb -0.23 -2.60 0.63 0.00 -1.46 0.00 0.00 42.92 39.26 1sda s ASP 122 CO 0.29 -0.73 1.48 -0.90 0.52 0.00 0.00 175.17 175.83 1sda n ASP 123 N 3.24 4.48 -3.23 -0.34 5.68 0.01 -4.94 116.55 121.46 1sda n ASP 123 Ca 0.10 -2.61 -0.20 0.00 -0.50 0.00 0.00 54.79 51.59 1sda n ASP 123 Cb 0.40 -0.60 -0.01 0.00 -1.14 0.00 0.00 41.12 39.77 1sda n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sda n LEU 124 N 0.63 -1.16 0.00 -2.12 4.77 -1.26 -1.00 117.00 116.86 1sda n LEU 124 Ca 0.22 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1sda n LEU 124 Cb 0.91 -1.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1sda n LEU 124 CO 0.24 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1sda n GLY 125 N -1.00 1.36 2.63 -0.72 0.00 -1.26 -3.39 105.19 102.82 1sda n GLY 125 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1sda n GLY 125 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sda n ARG 126 N -2.00 2.83 -0.01 1.61 0.00 -0.17 -4.58 116.66 114.34 1sda n ARG 126 Ca 0.00 -4.36 0.11 0.00 -0.00 0.00 0.00 57.85 53.59 1sda n ARG 126 Cb 0.00 -2.07 -0.17 0.00 -0.00 0.00 0.00 32.46 30.23 1sda n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sda n GLY 127 N -0.27 -0.99 0.69 2.89 0.00 -1.25 -5.03 105.19 101.23 1sda n GLY 127 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1sda n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sda n GLY 128 N 1.29 1.14 3.75 -0.02 0.00 -1.26 -5.04 105.19 105.05 1sda n GLY 128 Ca -0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1sda n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda s ASN 129 N -2.40 0.07 0.51 1.61 2.20 -1.26 -5.06 114.94 110.61 1sda s ASN 129 Ca 0.00 -1.06 0.29 0.00 -0.94 0.00 0.00 52.86 51.16 1sda s ASN 129 Cb 0.00 0.78 1.31 0.00 -2.00 0.00 0.00 41.25 41.33 1sda s ASN 129 CO 0.00 -1.51 1.98 -0.33 -2.94 0.00 0.00 177.10 174.30 1sda h GLU 130 N 2.04 0.00 0.10 3.55 4.39 -2.01 -2.83 114.58 119.82 1sda h GLU 130 Ca -0.28 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.15 1sda h GLU 130 Cb 1.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1sda h GLU 130 CO 0.36 0.12 -1.17 0.93 -1.16 0.00 0.00 179.01 178.09 1sda h GLU 131 N 0.00 0.36 -0.45 2.33 4.39 -1.99 -3.05 114.58 116.17 1sda h GLU 131 Ca -0.00 -0.52 0.08 0.00 0.34 0.00 0.00 59.36 59.26 1sda h GLU 131 Cb 0.51 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 29.24 1sda h GLU 131 CO 0.02 1.21 -0.38 0.77 -1.16 0.00 0.00 179.01 179.47 1sda h SER 132 N 0.14 -1.27 0.49 1.42 0.02 -1.84 0.32 113.55 112.84 1sda h SER 132 Ca -0.13 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1sda h SER 132 Cb 1.86 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.98 1sda h SER 132 CO 0.20 -0.34 0.00 0.71 -1.14 0.00 0.00 176.83 176.26 1sda h THR 133 N -0.26 0.00 0.00 -2.27 1.35 -1.61 -1.28 112.91 108.84 1sda h THR 133 Ca 0.17 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1sda h THR 133 Cb 0.56 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1sda h THR 133 CO -0.59 0.00 -0.33 0.11 -0.25 0.00 0.00 175.52 174.46 1sda h LYS 134 N 0.00 0.00 0.00 4.72 1.57 -1.20 0.33 116.57 121.99 1sda h LYS 134 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sda h LYS 134 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1sda h LYS 134 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1sda n THR 135 N -4.37 0.00 -1.23 -0.16 -2.24 0.10 -4.54 114.28 101.85 1sda n THR 135 Ca -0.05 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1sda n THR 135 Cb 0.17 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 1sda n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sda n GLY 136 N 0.09 0.94 2.77 3.38 0.00 -0.49 -3.15 105.19 108.72 1sda n GLY 136 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1sda n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sda n ASN 137 N -0.01 -5.08 0.00 1.61 5.03 -1.25 -0.81 115.26 114.75 1sda n ASN 137 Ca -0.08 -0.11 0.09 0.00 0.87 0.00 0.00 54.58 55.35 1sda n ASN 137 Cb 0.33 -4.20 0.45 0.00 -1.02 0.00 0.00 39.78 35.35 1sda n ASN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sda n ALA 138 N -2.80 1.97 -0.36 5.41 0.00 -1.19 -4.77 120.51 118.78 1sda n ALA 138 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1sda n ALA 138 Cb 0.62 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1sda n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sda n GLY 139 N 0.21 -0.98 3.64 0.00 0.00 -1.26 -1.12 105.19 105.69 1sda n GLY 139 Ca 0.09 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1sda n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sda s SER 140 N -4.00 2.48 -0.46 1.61 1.04 -1.26 -4.51 113.70 108.60 1sda s SER 140 Ca 0.00 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 57.66 1sda s SER 140 Cb 0.00 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 64.07 1sda s SER 140 CO 0.00 -3.25 0.50 -0.13 0.98 0.00 0.00 173.24 171.34 1sda s ARG 141 N -4.82 3.09 0.09 4.02 0.52 -1.26 -0.07 118.95 120.52 1sda s ARG 141 Ca 0.66 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 1sda s ARG 141 Cb -0.20 -4.04 -0.12 0.00 0.52 0.00 0.00 34.95 31.11 1sda s ARG 141 CO 0.59 -1.01 1.36 -0.07 0.02 0.00 0.00 175.30 176.19 1sda h LEU 142 N 9.24 0.78 -7.14 2.53 3.38 -0.88 -3.47 115.31 119.75 1sda h LEU 142 Ca -0.27 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.09 1sda h LEU 142 Cb 1.10 -0.23 -0.19 0.00 0.09 0.00 0.00 40.66 41.44 1sda h LEU 142 CO 0.87 1.18 0.07 0.00 0.09 0.00 0.00 178.44 180.65 1sda s ALA 143 N -4.09 -1.49 0.29 1.53 0.00 -1.14 -4.04 121.76 112.82 1sda s ALA 143 Ca -0.12 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1sda s ALA 143 Cb 0.08 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.32 1sda s ALA 143 CO 0.85 -0.38 0.61 0.00 0.00 0.00 0.00 175.76 176.83 1sda s GLY 145 N -3.01 -0.35 0.18 0.00 0.00 -0.81 -1.76 107.32 101.58 1sda s GLY 145 Ca 0.18 1.71 -0.30 0.00 0.00 0.00 0.00 44.72 46.31 1sda s GLY 145 CO 0.10 0.86 1.00 0.14 0.00 0.00 0.00 173.10 175.20 1sda s VAL 146 N -1.59 4.12 -0.31 1.40 1.01 -1.26 -1.14 120.40 122.62 1sda s VAL 146 Ca -0.01 1.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.65 1sda s VAL 146 Cb -0.01 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1sda s VAL 146 CO 0.00 0.36 0.72 -0.63 0.00 0.00 0.00 175.10 175.55 1sda s ILE 147 N -0.51 4.85 0.25 2.22 1.01 0.45 -4.57 121.20 124.91 1sda s ILE 147 Ca 0.46 1.00 0.09 0.00 0.00 0.00 0.00 60.65 62.19 1sda s ILE 147 Cb -0.26 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1sda s ILE 147 CO 0.33 -0.22 0.05 -0.83 0.00 0.00 0.00 174.94 174.27 1sda s GLY 148 N 1.65 1.59 0.26 6.18 0.00 -0.12 0.29 107.32 117.17 1sda s GLY 148 Ca 0.29 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 1sda s GLY 148 CO 0.13 -1.61 1.37 -0.42 0.00 0.00 0.00 173.10 172.57 1sda s ILE 149 N -2.21 2.79 0.34 0.90 1.01 -1.26 -0.76 121.20 122.00 1sda s ILE 149 Ca 0.31 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.69 1sda s ILE 149 Cb -0.07 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1sda s ILE 149 CO 0.21 0.13 0.09 0.00 0.00 0.00 0.00 174.94 175.36 1sda s ALA 150 N -0.30 2.44 0.00 9.38 0.00 -1.04 -4.75 121.76 127.49 1sda s ALA 150 Ca 0.56 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1sda s ALA 150 Cb -0.40 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1sda s ALA 150 CO 0.45 -0.34 0.00 1.63 0.00 0.00 0.00 175.76 177.50