#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 -3.85 0.00 -2.24 -1.26 -4.39 114.28 102.53 1sda n THR 2 Ca 0.00 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1sda n THR 2 Cb 0.00 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.27 0.24 0.22 -0.78 1.02 -1.26 -0.54 119.74 117.37 1sda s LYS 3 Ca 0.05 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 1sda s LYS 3 Cb 0.05 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1sda s LYS 3 CO 0.21 -0.04 0.20 0.00 -0.92 0.00 0.00 175.35 174.79 1sda s ALA 4 N -0.41 1.02 0.06 5.17 0.00 -0.64 -1.43 121.76 125.53 1sda s ALA 4 Ca -0.05 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 1sda s ALA 4 Cb -0.03 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.46 1sda s ALA 4 CO 0.00 -0.64 0.34 0.54 0.00 0.00 0.00 175.76 176.00 1sda s VAL 5 N -4.05 0.08 -0.15 0.00 0.11 0.96 -2.08 120.40 115.28 1sda s VAL 5 Ca 0.37 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 1sda s VAL 5 Cb 0.05 -1.01 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 1sda s VAL 5 CO 0.13 -0.36 0.26 0.00 -3.33 0.00 0.00 175.10 171.81 1sda s VAL 7 N 2.41 4.93 -0.28 0.00 1.01 -1.26 0.31 120.40 127.51 1sda s VAL 7 Ca 0.03 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1sda s VAL 7 Cb -0.13 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1sda s VAL 7 CO -0.09 -0.46 0.99 -0.76 0.00 0.00 0.00 175.10 174.77 1sda s LEU 8 N 2.58 4.02 0.10 3.92 1.43 0.76 -4.10 118.68 127.39 1sda s LEU 8 Ca 0.20 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 1sda s LEU 8 Cb -0.15 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1sda s LEU 8 CO 0.16 -0.74 -0.10 -0.75 0.23 0.00 0.00 176.35 175.16 1sda s LYS 9 N 3.32 0.88 0.00 1.70 2.47 -0.36 -2.65 119.74 125.09 1sda s LYS 9 Ca 0.42 -1.20 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1sda s LYS 9 Cb -0.14 -0.56 0.00 0.00 -1.46 0.00 0.00 37.83 35.67 1sda s LYS 9 CO 0.11 0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.12 1sda n GLY 10 N 0.47 3.18 3.40 5.54 0.00 -1.26 -0.80 105.19 115.72 1sda n GLY 10 Ca -0.15 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 1sda n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sda s ASP 11 N 0.91 7.16 0.01 1.61 1.47 -1.26 -4.96 116.67 121.61 1sda s ASP 11 Ca 0.00 -3.23 -0.03 0.00 1.18 0.00 0.00 52.55 50.47 1sda s ASP 11 Cb 0.00 -2.31 0.01 0.00 -0.34 0.00 0.00 42.92 40.28 1sda s ASP 11 CO 0.00 -0.54 0.13 0.61 0.68 0.00 0.00 175.17 176.05 1sda n GLY 12 N 3.52 1.03 0.16 2.12 0.00 -1.26 -4.99 105.19 105.77 1sda n GLY 12 Ca 0.30 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1sda n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sda h PRO 13 N 0.00 0.00 -6.65 1.61 0.13 -1.93 -3.46 132.00 121.70 1sda h PRO 13 Ca -0.03 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.57 1sda h PRO 13 Cb 0.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.31 1sda h PRO 13 CO 0.04 0.47 0.69 0.08 -0.23 0.00 0.00 178.00 179.05 1sda s VAL 14 N -3.39 3.14 0.08 1.56 1.01 -1.25 -4.34 120.40 117.21 1sda s VAL 14 Ca 0.01 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 1sda s VAL 14 Cb 0.10 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.99 1sda s VAL 14 CO 0.71 0.12 0.72 0.00 0.00 0.00 0.00 175.10 176.65 1sda s GLN 15 N 0.22 1.08 -0.16 2.72 -2.07 -0.50 -4.23 119.66 116.72 1sda s GLN 15 Ca 0.60 -0.36 -0.35 0.00 -1.82 0.00 0.00 55.36 53.43 1sda s GLN 15 Cb -0.38 0.50 0.14 0.00 -1.09 0.00 0.00 33.01 32.19 1sda s GLN 15 CO 0.36 -0.47 1.31 0.20 -1.32 0.00 0.00 175.29 175.38 1sda s GLY 16 N -2.53 -0.33 -0.08 2.60 0.00 -1.09 -0.53 107.32 105.36 1sda s GLY 16 Ca 0.02 1.39 -0.00 0.00 0.00 0.00 0.00 44.72 46.13 1sda s GLY 16 CO -0.10 0.42 -0.05 -1.59 0.00 0.00 0.00 173.10 171.77 1sda s THR 17 N -2.25 0.77 -0.11 0.90 2.01 -1.11 -0.17 115.64 115.68 1sda s THR 17 Ca 0.12 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 1sda s THR 17 Cb 0.02 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1sda s THR 17 CO -0.04 0.31 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.47 1sda s ILE 18 N 1.54 3.35 -0.10 1.82 -1.09 0.15 -3.49 121.20 123.37 1sda s ILE 18 Ca 0.00 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1sda s ILE 18 Cb -0.13 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1sda s ILE 18 CO -0.05 0.54 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.02 1sda s HIS 19 N -0.04 2.67 0.02 3.97 3.76 0.23 -0.45 115.29 125.45 1sda s HIS 19 Ca -0.02 -0.72 0.08 0.00 -0.15 0.00 0.00 55.06 54.26 1sda s HIS 19 Cb -0.14 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1sda s HIS 19 CO 0.03 -0.23 -0.25 -0.06 -0.85 0.00 0.00 174.74 173.39 1sda s PHE 20 N 0.15 2.18 -0.07 1.40 0.40 -0.88 -0.11 117.98 121.05 1sda s PHE 20 Ca -0.10 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1sda s PHE 20 Cb -0.16 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.06 1sda s PHE 20 CO 0.06 0.06 0.17 -2.00 0.70 0.00 0.00 175.22 174.21 1sda s GLU 21 N -0.97 0.18 0.03 0.44 2.12 -0.33 -1.62 118.70 118.54 1sda s GLU 21 Ca 0.10 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 1sda s GLU 21 Cb -0.10 0.01 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 1sda s GLU 21 CO 0.01 -0.07 1.31 0.00 -0.54 0.00 0.00 175.26 175.96 1sda s ALA 22 N 0.46 3.51 -0.38 6.30 0.00 0.30 -1.24 121.76 130.71 1sda s ALA 22 Ca -0.03 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1sda s ALA 22 Cb -0.04 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.68 1sda s ALA 22 CO -0.02 -0.68 0.19 0.15 0.00 0.00 0.00 175.76 175.40 1sda s LYS 23 N 1.68 0.88 5.52 0.00 -0.14 0.12 -4.91 119.74 122.89 1sda s LYS 23 Ca 0.61 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 1sda s LYS 23 Cb -0.31 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 1sda s LYS 23 CO 0.27 -1.13 0.00 0.41 -0.76 0.00 0.00 175.35 174.15 1sda n GLY 24 N 4.08 2.47 1.33 -3.33 0.00 -1.26 -1.54 105.19 106.94 1sda n GLY 24 Ca 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1sda n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sda n ASP 25 N 0.79 3.70 -4.08 1.61 9.92 -1.26 -4.78 116.55 122.44 1sda n ASP 25 Ca 0.00 -2.40 -0.08 0.00 -0.53 0.00 0.00 54.79 51.78 1sda n ASP 25 Cb 0.00 -0.68 -0.10 0.00 -0.64 0.00 0.00 41.12 39.70 1sda n ASP 25 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1sda s THR 26 N -0.73 0.25 -0.18 -3.53 -4.23 -0.59 -4.63 115.64 102.00 1sda s THR 26 Ca 0.12 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1sda s THR 26 Cb 0.10 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1sda s THR 26 CO 0.02 -0.91 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.46 1sda s VAL 27 N -3.50 3.73 -0.11 2.29 1.01 -0.68 0.15 120.40 123.30 1sda s VAL 27 Ca 0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1sda s VAL 27 Cb 0.05 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1sda s VAL 27 CO -0.08 0.46 0.32 -0.69 0.00 0.00 0.00 175.10 175.11 1sda s VAL 28 N 0.77 5.25 -0.14 2.92 1.01 -0.38 -0.61 120.40 129.23 1sda s VAL 28 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1sda s VAL 28 Cb -0.14 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1sda s VAL 28 CO 0.02 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 1sda s VAL 29 N -0.09 1.54 0.06 2.92 1.01 0.41 -1.19 120.40 125.06 1sda s VAL 29 Ca 0.19 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1sda s VAL 29 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1sda s VAL 29 CO 0.07 0.45 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 1sda s THR 30 N 1.45 0.42 -5.00 3.92 2.01 0.85 0.13 115.64 119.42 1sda s THR 30 Ca 0.04 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1sda s THR 30 Cb -0.13 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1sda s THR 30 CO -0.10 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.75 1sda n GLY 31 N 0.74 -0.57 3.18 4.40 0.00 -1.09 0.74 105.19 112.58 1sda n GLY 31 Ca -0.18 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1sda n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sda s SER 32 N -4.00 0.07 0.11 1.61 1.04 -1.23 -0.19 113.70 111.12 1sda s SER 32 Ca 0.00 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1sda s SER 32 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1sda s SER 32 CO 0.00 -0.60 -0.15 -0.63 0.98 0.00 0.00 173.24 172.84 1sda s ILE 33 N -2.92 1.35 0.08 -1.02 1.01 0.24 -2.74 121.20 117.21 1sda s ILE 33 Ca -0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 60.65 58.99 1sda s ILE 33 Cb 0.01 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1sda s ILE 33 CO -0.06 -0.31 0.07 0.42 0.00 0.00 0.00 174.94 175.06 1sda s THR 34 N -1.77 0.17 0.00 2.92 -4.23 0.31 -1.17 115.64 111.86 1sda s THR 34 Ca 0.06 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1sda s THR 34 Cb -0.07 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1sda s THR 34 CO 0.03 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1sda n GLY 35 N 0.00 0.15 3.85 3.99 0.00 -0.90 -1.42 105.19 110.86 1sda n GLY 35 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 3.37 0.68 0.99 1.43 -1.07 -4.40 118.68 119.68 1sda s LEU 36 Ca 0.00 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1sda s LEU 36 Cb 0.00 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 1sda s LEU 36 CO 0.00 -0.86 1.06 0.42 0.23 0.00 0.00 176.35 177.21 1sda s THR 37 N -2.92 4.05 0.74 5.49 -4.23 -1.26 -3.91 115.64 113.59 1sda s THR 37 Ca 0.57 0.67 -0.11 0.00 -1.18 0.00 0.00 61.69 61.63 1sda s THR 37 Cb -0.11 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1sda s THR 37 CO 0.45 -0.87 1.10 -1.83 -0.54 0.00 0.00 174.62 172.93 1sda s GLU 38 N -5.22 2.56 2.27 3.99 -1.05 -1.26 -4.59 118.70 115.39 1sda s GLU 38 Ca 0.57 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.91 1sda s GLU 38 Cb -0.12 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1sda s GLU 38 CO 0.53 -1.26 0.00 0.41 0.95 0.00 0.00 175.26 175.89 1sda n GLY 39 N -2.68 -1.20 3.84 -3.83 0.00 0.64 -4.84 105.19 97.11 1sda n GLY 39 Ca 0.07 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 6.82 -0.01 1.61 1.11 -1.26 -1.11 116.67 119.83 1sda s ASP 40 Ca 0.00 1.04 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1sda s ASP 40 Cb 0.00 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.72 1sda s ASP 40 CO 0.00 0.14 -0.00 -1.00 1.18 0.00 0.00 175.17 175.49 1sda s HIS 41 N -1.40 0.13 0.51 4.23 3.76 -0.21 -2.98 115.29 119.35 1sda s HIS 41 Ca 0.35 0.01 -0.22 0.00 -0.15 0.00 0.00 55.06 55.05 1sda s HIS 41 Cb -0.15 -0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.32 1sda s HIS 41 CO 0.19 -0.04 1.25 0.20 -0.85 0.00 0.00 174.74 175.49 1sda s GLY 42 N 0.33 2.82 -0.35 -2.22 0.00 -0.30 -0.91 107.32 106.69 1sda s GLY 42 Ca -0.03 1.11 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1sda s GLY 42 CO -0.01 1.59 0.26 -0.12 0.00 0.00 0.00 173.10 174.82 1sda s PHE 43 N -1.45 0.25 0.14 1.90 5.36 -0.15 -0.45 117.98 123.58 1sda s PHE 43 Ca 0.69 -1.18 0.09 0.00 -0.96 0.00 0.00 56.93 55.57 1sda s PHE 43 Cb -0.34 -0.70 -0.04 0.00 -0.34 0.00 0.00 43.02 41.60 1sda s PHE 43 CO 0.40 -0.88 -0.21 -1.01 -1.46 0.00 0.00 175.22 172.05 1sda s HIS 44 N 1.39 1.94 -0.26 10.12 3.76 -0.19 -2.79 115.29 129.25 1sda s HIS 44 Ca 0.16 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 1sda s HIS 44 Cb -0.19 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.46 1sda s HIS 44 CO -0.07 0.31 0.54 0.08 -0.85 0.00 0.00 174.74 174.76 1sda s VAL 45 N -1.53 5.04 0.22 -0.90 1.01 0.42 -1.02 120.40 123.65 1sda s VAL 45 Ca 0.13 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1sda s VAL 45 Cb -0.08 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1sda s VAL 45 CO 0.06 0.06 0.26 -1.00 0.00 0.00 0.00 175.10 174.48 1sda s HIS 46 N 2.37 3.30 0.16 5.22 3.76 0.11 -1.02 115.29 129.18 1sda s HIS 46 Ca 0.22 -0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 55.01 1sda s HIS 46 Cb -0.16 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.02 1sda s HIS 46 CO 0.09 0.49 1.50 0.37 -0.85 0.00 0.00 174.74 176.34 1sda h GLN 47 N 1.59 0.88 -5.33 1.40 4.15 -0.70 -2.36 115.11 114.74 1sda h GLN 47 Ca -0.50 -0.46 -0.65 0.00 0.77 0.00 0.00 58.65 57.82 1sda h GLN 47 Cb 1.22 0.01 -0.25 0.00 0.21 0.00 0.00 27.48 28.68 1sda h GLN 47 CO 0.62 1.10 -0.73 -0.06 -1.93 0.00 0.00 178.83 177.84 1sda s PHE 48 N -4.39 2.89 -0.02 3.99 0.08 0.94 -4.67 117.98 116.80 1sda s PHE 48 Ca -0.10 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1sda s PHE 48 Cb 0.11 -1.88 -0.08 0.00 -0.57 0.00 0.00 43.02 40.60 1sda s PHE 48 CO 0.87 -0.13 2.55 0.41 -0.10 0.00 0.00 175.22 178.82 1sda n GLY 49 N 3.49 2.77 3.31 4.36 0.00 -0.94 -4.01 105.19 114.16 1sda n GLY 49 Ca -0.18 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 1.89 5.77 -0.04 1.61 -1.08 -1.26 -4.92 116.67 118.64 1sda s ASP 50 Ca 0.24 -1.42 0.21 0.00 -0.52 0.00 0.00 52.55 51.06 1sda s ASP 50 Cb 0.12 -2.04 0.67 0.00 -1.46 0.00 0.00 42.92 40.22 1sda s ASP 50 CO -0.00 -0.55 1.57 -3.20 0.52 0.00 0.00 175.17 173.51 1sda n ASN 51 N 4.99 4.25 -0.07 -0.34 5.15 -1.26 -3.32 115.26 124.66 1sda n ASN 51 Ca -0.11 -2.16 -0.01 0.00 -0.60 0.00 0.00 54.58 51.70 1sda n ASN 51 Cb 0.43 -0.52 0.27 0.00 -0.53 0.00 0.00 39.78 39.43 1sda n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1sda h THR 52 N 4.21 1.20 -1.05 -0.44 1.35 -1.92 -1.84 112.91 114.41 1sda h THR 52 Ca 0.00 -0.68 -0.60 0.00 -0.55 0.00 0.00 66.41 64.58 1sda h THR 52 Cb 1.16 0.71 -0.39 0.00 -1.73 0.00 0.00 68.15 67.89 1sda h THR 52 CO 0.08 0.25 -0.34 0.00 -0.25 0.00 0.00 175.52 175.27 1sda n GLN 53 N -4.31 3.34 0.00 4.72 6.02 -1.26 -5.05 117.38 120.83 1sda n GLN 53 Ca 0.03 -4.02 0.00 0.00 -0.01 0.00 0.00 57.00 53.00 1sda n GLN 53 Cb 0.20 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.18 1sda n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sda n GLY 54 N -0.69 2.75 0.24 1.08 0.00 -0.69 -2.49 105.19 105.38 1sda n GLY 54 Ca 0.47 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 1.17 0.00 0.00 2.02 -1.83 -2.62 112.91 111.66 1sda h THR 56 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1sda h THR 56 Cb 0.78 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1sda h THR 56 CO 0.01 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 1sda n SER 57 N -4.53 0.00 0.19 4.18 3.41 -1.22 -2.88 113.62 112.78 1sda n SER 57 Ca 0.10 -0.90 0.05 0.00 -0.26 0.00 0.00 58.87 57.86 1sda n SER 57 Cb 0.06 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.40 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 3.52 1.21 0.00 7.33 0.00 -1.46 -3.38 119.26 126.47 1sda h ALA 58 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sda h ALA 58 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sda h ALA 58 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1sda n GLY 59 N -0.21 -1.64 1.91 0.00 0.00 -1.14 -0.04 105.19 104.07 1sda n GLY 59 Ca -0.01 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1sda n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sda n PRO 60 N 0.00 -0.61 -2.14 1.61 -0.05 -1.26 -4.68 135.00 127.86 1sda n PRO 60 Ca 0.00 -1.03 -0.36 0.00 -0.05 0.00 0.00 63.50 62.06 1sda n PRO 60 Cb 0.00 -0.67 0.01 0.00 -0.05 0.00 0.00 33.50 32.79 1sda n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 1sda s HIS 61 N -2.40 2.62 -0.07 0.54 3.76 -1.26 -0.56 115.29 117.92 1sda s HIS 61 Ca 0.37 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 1sda s HIS 61 Cb -0.01 -3.43 -0.06 0.00 1.11 0.00 0.00 32.58 30.19 1sda s HIS 61 CO 0.26 -1.87 1.75 0.12 -0.85 0.00 0.00 174.74 174.15 1sda s PHE 62 N -1.59 1.79 -0.42 1.40 5.36 -0.19 -4.43 117.98 119.90 1sda s PHE 62 Ca 0.71 0.11 0.09 0.00 -0.96 0.00 0.00 56.93 56.88 1sda s PHE 62 Cb -0.29 -4.00 0.34 0.00 -0.34 0.00 0.00 43.02 38.73 1sda s PHE 62 CO 0.33 -4.12 1.03 -1.71 -1.46 0.00 0.00 175.22 169.29 1sda n ASN 63 N 7.67 -1.21 0.16 6.13 5.15 -1.26 -1.33 115.26 130.57 1sda n ASN 63 Ca 0.19 -3.33 0.13 0.00 -0.60 0.00 0.00 54.58 50.97 1sda n ASN 63 Cb 0.43 0.99 0.56 0.00 -0.53 0.00 0.00 39.78 41.23 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 2.90 0.00 -0.46 1.20 0.13 -1.98 -2.34 132.00 131.44 1sda h PRO 64 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1sda h PRO 64 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1sda h PRO 64 CO 0.23 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.28 1sda n LEU 65 N -2.37 3.95 -3.89 1.56 4.77 -1.26 -4.99 117.00 114.77 1sda n LEU 65 Ca 0.01 -2.43 -0.25 0.00 -0.03 0.00 0.00 56.01 53.30 1sda n LEU 65 Cb 0.19 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1sda n LEU 65 CO 0.18 0.76 -0.20 -1.20 -1.33 0.00 0.00 177.39 175.61 1sda n SER 66 N 0.55 -0.87 -4.90 -1.43 7.64 -0.88 -4.98 113.62 108.75 1sda n SER 66 Ca 0.20 -0.98 -0.21 0.00 1.01 0.00 0.00 58.87 58.88 1sda n SER 66 Cb 0.74 -3.21 -0.03 0.00 -1.01 0.00 0.00 64.21 60.69 1sda n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sda s LYS 67 N -6.43 3.19 0.72 1.43 -0.14 -1.26 -5.11 119.74 112.15 1sda s LYS 67 Ca 0.05 -0.90 -0.11 0.00 -1.36 0.00 0.00 55.97 53.64 1sda s LYS 67 Cb -0.02 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1sda s LYS 67 CO 0.88 0.42 1.09 -1.59 -0.76 0.00 0.00 175.35 175.38 1sda s LYS 68 N -3.91 2.70 0.47 1.68 0.00 -1.26 -4.68 119.74 114.75 1sda s LYS 68 Ca 0.33 0.59 -0.23 0.00 0.00 0.00 0.00 55.97 56.67 1sda s LYS 68 Cb -0.08 -1.99 -0.07 0.00 0.00 0.00 0.00 37.83 35.68 1sda s LYS 68 CO 0.27 -1.17 1.20 -1.58 0.00 0.00 0.00 175.35 174.07 1sda s HIS 69 N -3.25 2.77 0.06 1.78 5.65 -0.10 -3.46 115.29 118.74 1sda s HIS 69 Ca 0.59 1.50 -0.01 0.00 0.25 0.00 0.00 55.06 57.39 1sda s HIS 69 Cb -0.12 -3.46 0.01 0.00 -1.18 0.00 0.00 32.58 27.82 1sda s HIS 69 CO 0.53 -1.77 0.11 0.41 -0.65 0.00 0.00 174.74 173.37 1sda n GLY 70 N 0.50 2.45 3.94 1.59 0.00 -1.22 -4.50 105.19 107.96 1sda n GLY 70 Ca 0.08 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.37 1.52 0.00 -0.02 0.00 -1.19 -4.71 107.32 101.55 1sda s GLY 71 Ca 0.04 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 43.85 1sda s GLY 71 CO 0.03 -0.81 1.16 -1.55 0.00 0.00 0.00 173.10 171.93 1sda n PRO 72 N -2.08 0.00 0.05 2.90 -0.04 -1.23 -0.71 135.00 133.90 1sda n PRO 72 Ca 0.00 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1sda n PRO 72 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1sda n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sda n LYS 73 N -1.50 0.51 -2.23 0.54 5.02 -1.26 -4.98 118.16 114.26 1sda n LYS 73 Ca 0.01 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 1sda n LYS 73 Cb 0.06 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1sda n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sda s ASP 74 N -4.63 5.90 0.24 4.39 1.01 0.12 -4.92 116.67 118.78 1sda s ASP 74 Ca -0.01 1.94 -0.04 0.00 0.71 0.00 0.00 52.55 55.15 1sda s ASP 74 Cb 0.12 -2.55 0.44 0.00 1.01 0.00 0.00 42.92 41.95 1sda s ASP 74 CO 0.83 -1.09 1.76 1.05 0.21 0.00 0.00 175.17 177.92 1sda h GLU 75 N 0.92 0.54 -4.19 8.23 4.11 -1.94 -3.39 114.58 118.86 1sda h GLU 75 Ca -0.48 -0.03 -0.71 0.00 0.07 0.00 0.00 59.36 58.21 1sda h GLU 75 Cb 1.23 -0.12 -0.33 0.00 0.50 0.00 0.00 28.75 30.03 1sda h GLU 75 CO 0.58 0.35 -0.42 -2.00 0.07 0.00 0.00 179.01 177.58 1sda s GLU 76 N -6.02 2.36 0.29 1.06 2.56 -1.26 -5.01 118.70 112.68 1sda s GLU 76 Ca -0.12 -2.00 -0.02 0.00 0.00 0.00 0.00 54.97 52.83 1sda s GLU 76 Cb 0.20 -3.77 -0.02 0.00 2.00 0.00 0.00 34.13 32.55 1sda s GLU 76 CO 0.77 -1.15 0.35 -0.98 -0.56 0.00 0.00 175.26 173.69 1sda s ARG 77 N 0.89 1.64 0.53 4.30 1.70 -1.23 -3.43 118.95 123.35 1sda s ARG 77 Ca 0.10 -1.68 -0.10 0.00 -0.47 0.00 0.00 55.73 53.58 1sda s ARG 77 Cb -0.23 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1sda s ARG 77 CO -0.03 -0.64 0.91 -1.01 -1.08 0.00 0.00 175.30 173.45 1sda s HIS 78 N -3.59 3.57 0.48 5.89 3.76 -1.22 -4.64 115.29 119.53 1sda s HIS 78 Ca 0.33 1.12 0.19 0.00 -0.15 0.00 0.00 55.06 56.55 1sda s HIS 78 Cb 0.02 -2.55 1.24 0.00 1.11 0.00 0.00 32.58 32.39 1sda s HIS 78 CO 0.17 -0.44 2.07 0.28 -0.85 0.00 0.00 174.74 175.98 1sda h VAL 79 N 0.19 0.93 0.00 -0.90 2.07 -1.79 -2.55 116.25 114.20 1sda h VAL 79 Ca -0.46 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1sda h VAL 79 Cb 1.19 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1sda h VAL 79 CO 0.62 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1sda n GLY 80 N -1.10 -1.13 3.51 2.17 0.00 -0.44 -4.46 105.19 103.73 1sda n GLY 80 Ca -0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.26 6.43 0.00 1.61 1.01 -0.96 -0.44 116.67 122.05 1sda s ASP 81 Ca 0.39 -1.39 0.22 0.00 0.71 0.00 0.00 52.55 52.48 1sda s ASP 81 Cb 0.21 -2.49 0.34 0.00 1.01 0.00 0.00 42.92 42.00 1sda s ASP 81 CO 0.41 -1.41 1.33 0.18 0.21 0.00 0.00 175.17 175.89 1sda n LEU 82 N 8.03 3.27 0.00 1.23 4.77 -1.12 -3.48 117.00 129.70 1sda n LEU 82 Ca 0.19 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1sda n LEU 82 Cb 0.49 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1sda n LEU 82 CO 0.62 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1sda n GLY 83 N 1.39 1.15 3.21 -0.72 0.00 -1.15 -4.82 105.19 104.25 1sda n GLY 83 Ca 0.17 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 2.26 0.21 1.61 0.01 -1.26 -0.98 114.94 112.80 1sda s ASN 84 Ca 0.00 -0.45 0.07 0.00 -0.71 0.00 0.00 52.86 51.77 1sda s ASN 84 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1sda s ASN 84 CO 0.00 0.17 0.09 0.68 -1.51 0.00 0.00 177.10 176.53 1sda s VAL 85 N -0.68 4.07 -0.16 1.60 -7.23 -0.08 -4.90 120.40 113.01 1sda s VAL 85 Ca 0.07 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1sda s VAL 85 Cb -0.08 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1sda s VAL 85 CO 0.01 -0.23 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.49 1sda s THR 86 N -1.96 2.28 -0.12 5.32 2.01 -1.26 -1.04 115.64 120.86 1sda s THR 86 Ca 0.31 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 1sda s THR 86 Cb -0.09 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1sda s THR 86 CO 0.22 0.53 0.60 0.00 -0.69 0.00 0.00 174.62 175.28 1sda s ALA 87 N 0.94 3.45 1.11 7.40 0.00 -0.26 -4.25 121.76 130.15 1sda s ALA 87 Ca -0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 1sda s ALA 87 Cb -0.15 -2.85 0.24 0.00 0.00 0.00 0.00 23.12 20.37 1sda s ALA 87 CO -0.04 -0.20 1.11 0.16 0.00 0.00 0.00 175.76 176.79 1sda s ASP 88 N 0.86 1.70 0.60 0.00 1.47 -0.19 -0.26 116.67 120.85 1sda s ASP 88 Ca 0.31 0.84 0.28 0.00 1.18 0.00 0.00 52.55 55.15 1sda s ASP 88 Cb -0.16 -1.25 1.29 0.00 -0.34 0.00 0.00 42.92 42.46 1sda s ASP 88 CO 0.13 -3.66 1.70 0.11 0.68 0.00 0.00 175.17 174.13 1sda h LYS 89 N -2.26 0.00 -0.64 2.11 1.57 -1.97 0.21 116.57 115.59 1sda h LYS 89 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1sda h LYS 89 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1sda h LYS 89 CO 0.45 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 1sda n ASN 90 N -3.47 4.16 -0.16 0.86 3.02 -1.26 -4.84 115.26 113.57 1sda n ASN 90 Ca 0.12 -2.46 -0.02 0.00 -0.03 0.00 0.00 54.58 52.19 1sda n ASN 90 Cb 0.90 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1sda n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sda n GLY 91 N 0.86 0.55 3.30 7.41 0.00 0.73 -4.75 105.19 113.29 1sda n GLY 91 Ca 0.21 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.05 2.65 -0.18 1.61 1.01 -1.23 -2.12 120.40 120.09 1sda s VAL 92 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1sda s VAL 92 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1sda s VAL 92 CO 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 1sda s ALA 93 N 0.46 2.47 -0.27 5.51 0.00 -0.32 -1.02 121.76 128.59 1sda s ALA 93 Ca -0.12 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.47 1sda s ALA 93 Cb -0.16 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1sda s ALA 93 CO 0.05 -0.28 0.65 0.42 0.00 0.00 0.00 175.76 176.60 1sda s ILE 94 N 1.20 4.96 0.08 0.00 1.09 -1.26 -0.59 121.20 126.67 1sda s ILE 94 Ca 0.02 1.10 -0.21 0.00 -1.10 0.00 0.00 60.65 60.46 1sda s ILE 94 Cb -0.14 -3.97 -0.07 0.00 -1.06 0.00 0.00 42.46 37.23 1sda s ILE 94 CO -0.07 -0.03 0.63 -0.69 -0.10 0.00 0.00 174.94 174.68 1sda s VAL 95 N 2.57 4.68 -0.37 2.92 1.01 0.74 -4.79 120.40 127.15 1sda s VAL 95 Ca 0.27 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1sda s VAL 95 Cb -0.15 -3.96 0.18 0.00 0.00 0.00 0.00 36.38 32.45 1sda s VAL 95 CO 0.09 0.52 0.76 -0.62 0.00 0.00 0.00 175.10 175.85 1sda s ASP 96 N -0.96 -1.18 -0.02 3.32 2.15 -1.23 -2.68 116.67 116.08 1sda s ASP 96 Ca 0.31 -0.51 0.03 0.00 0.43 0.00 0.00 52.55 52.81 1sda s ASP 96 Cb -0.20 1.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.95 1sda s ASP 96 CO 0.21 -0.14 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.34 1sda s ILE 97 N 2.00 0.81 -0.11 4.11 1.01 0.12 -4.97 121.20 124.17 1sda s ILE 97 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1sda s ILE 97 Cb -0.02 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1sda s ILE 97 CO -0.11 0.25 -0.22 0.68 0.00 0.00 0.00 174.94 175.53 1sda s VAL 98 N 0.13 1.98 -0.01 2.92 -7.23 -1.26 0.15 120.40 117.08 1sda s VAL 98 Ca -0.02 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1sda s VAL 98 Cb -0.08 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1sda s VAL 98 CO 0.00 0.54 -0.20 -0.62 -0.31 0.00 0.00 175.10 174.52 1sda s ASP 99 N 0.49 2.31 0.16 4.85 2.15 0.22 -4.97 116.67 121.89 1sda s ASP 99 Ca -0.16 -0.36 0.24 0.00 0.43 0.00 0.00 52.55 52.70 1sda s ASP 99 Cb -0.17 -0.25 0.36 0.00 -0.30 0.00 0.00 42.92 42.55 1sda s ASP 99 CO 0.06 0.24 1.36 1.55 -0.17 0.00 0.00 175.17 178.20 1sda h PRO 100 N 5.61 0.00 0.01 4.34 0.13 -1.87 -1.80 132.00 138.42 1sda h PRO 100 Ca -0.39 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.48 1sda h PRO 100 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1sda h PRO 100 CO 0.48 0.00 -1.46 1.28 -0.23 0.00 0.00 178.00 178.06 1sda n LEU 101 N -2.25 1.95 -4.77 1.56 4.77 -1.26 -4.83 117.00 112.17 1sda n LEU 101 Ca 0.03 0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 56.06 1sda n LEU 101 Cb 0.46 -0.97 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1sda n LEU 101 CO 0.36 0.37 0.76 0.27 -1.33 0.00 0.00 177.39 177.82 1sda s ILE 102 N -2.40 3.24 0.05 -0.08 -4.36 -1.26 -4.97 121.20 111.41 1sda s ILE 102 Ca -0.29 0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.78 1sda s ILE 102 Cb 0.07 -3.21 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 1sda s ILE 102 CO 0.60 -0.26 -0.04 -0.94 0.24 0.00 0.00 174.94 174.54 1sda s SER 103 N -2.17 0.57 0.00 4.36 1.04 -1.26 -4.44 113.70 111.80 1sda s SER 103 Ca 0.70 -0.75 0.24 0.00 0.48 0.00 0.00 55.95 56.62 1sda s SER 103 Cb -0.22 0.12 1.05 0.00 0.10 0.00 0.00 66.02 67.07 1sda s SER 103 CO 0.34 -0.40 1.72 0.18 0.98 0.00 0.00 173.24 176.06 1sda n LEU 104 N 0.84 1.13 -3.83 2.42 4.77 -1.26 0.72 117.00 121.79 1sda n LEU 104 Ca -0.19 -0.43 -0.06 0.00 -0.03 0.00 0.00 56.01 55.30 1sda n LEU 104 Cb 0.58 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1sda n LEU 104 CO 0.24 0.22 0.54 -0.94 -1.33 0.00 0.00 177.39 176.12 1sda s SER 105 N -1.76 -0.20 0.23 -1.43 1.04 -1.26 -1.49 113.70 108.82 1sda s SER 105 Ca 0.35 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1sda s SER 105 Cb 0.18 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1sda s SER 105 CO 0.29 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1sda n GLY 106 N -0.48 -0.62 3.54 7.32 0.00 -1.26 -3.84 105.19 109.85 1sda n GLY 106 Ca -0.05 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1sda n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sda n GLU 107 N 0.00 0.40 0.00 1.61 1.02 -1.26 -4.97 120.64 117.44 1sda n GLU 107 Ca 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 1sda n GLU 107 Cb 0.00 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.84 1sda n GLU 107 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sda n SER 109 N 16.32 0.00 -1.06 1.62 2.88 -1.23 -4.77 113.62 127.38 1sda n SER 109 Ca 0.43 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.07 1sda n SER 109 Cb 0.46 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.42 0.72 -1.85 2.46 -5.35 0.22 -4.88 119.36 110.25 1sda n ILE 110 Ca 0.00 -0.86 -0.42 0.00 -0.27 0.00 0.00 62.75 61.20 1sda n ILE 110 Cb 0.00 0.76 -0.03 0.00 -1.74 0.00 0.00 39.64 38.63 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 -1.19 2.36 0.00 7.28 -1.09 -1.26 -2.42 121.20 124.87 1sda s ILE 111 Ca 0.37 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1sda s ILE 111 Cb 0.20 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1sda s ILE 111 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1sda n GLY 112 N 3.46 1.69 0.18 6.18 0.00 0.54 -4.98 105.19 112.26 1sda n GLY 112 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 0.75 -5.09 1.61 1.74 -1.02 -2.21 116.66 110.45 1sda n ARG 113 Ca 0.00 -0.13 -0.32 0.00 -0.77 0.00 0.00 57.85 56.62 1sda n ARG 113 Cb 0.00 -0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.26 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 0.39 2.41 -0.18 0.55 2.01 -0.89 -0.73 115.64 119.21 1sda s THR 114 Ca 0.03 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1sda s THR 114 Cb -0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1sda s THR 114 CO 0.02 0.56 0.38 -0.32 -0.69 0.00 0.00 174.62 174.57 1sda s MET 115 N 0.13 4.23 -0.05 4.92 1.75 0.40 0.05 119.30 130.72 1sda s MET 115 Ca -0.11 0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.60 1sda s MET 115 Cb -0.16 -3.49 -0.00 0.00 2.84 0.00 0.00 34.83 34.02 1sda s MET 115 CO 0.06 0.07 -0.19 0.08 -0.65 0.00 0.00 175.02 174.39 1sda s VAL 116 N 0.98 1.58 -0.18 10.11 1.01 -0.18 -1.53 120.40 132.18 1sda s VAL 116 Ca 0.20 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1sda s VAL 116 Cb -0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sda s VAL 116 CO 0.07 0.45 -0.06 0.54 0.00 0.00 0.00 175.10 176.10 1sda s VAL 117 N 0.08 3.46 0.59 2.92 0.11 -0.43 -1.02 120.40 126.11 1sda s VAL 117 Ca -0.06 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1sda s VAL 117 Cb -0.13 -2.53 0.09 0.00 -1.53 0.00 0.00 36.38 32.28 1sda s VAL 117 CO 0.03 0.46 0.82 -1.00 -3.33 0.00 0.00 175.10 172.09 1sda s HIS 118 N 0.92 1.61 0.06 1.54 3.76 0.40 -1.29 115.29 122.29 1sda s HIS 118 Ca -0.01 -0.57 0.09 0.00 -0.15 0.00 0.00 55.06 54.42 1sda s HIS 118 Cb -0.15 -2.43 -0.20 0.00 1.11 0.00 0.00 32.58 30.91 1sda s HIS 118 CO 0.01 -1.22 1.11 1.49 -0.85 0.00 0.00 174.74 175.28 1sda h GLU 119 N 0.05 0.00 -5.09 1.40 4.81 -0.62 -3.38 114.58 111.74 1sda h GLU 119 Ca -0.33 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.39 1sda h GLU 119 Cb 1.28 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 1sda h GLU 119 CO 0.41 0.82 -0.55 0.15 -0.73 0.00 0.00 179.01 179.11 1sda s LYS 120 N -2.70 1.81 0.28 1.92 1.02 0.22 -4.91 119.74 117.38 1sda s LYS 120 Ca -0.00 -2.07 -0.29 0.00 0.02 0.00 0.00 55.97 53.63 1sda s LYS 120 Cb 0.09 -0.69 -0.09 0.00 -0.52 0.00 0.00 37.83 36.62 1sda s LYS 120 CO 0.82 -0.37 1.08 -2.14 -0.92 0.00 0.00 175.35 173.82 1sda s PRO 121 N -3.80 4.63 0.30 -1.68 0.02 -1.16 -1.15 135.00 132.17 1sda s PRO 121 Ca 0.29 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 1sda s PRO 121 Cb 0.05 -3.16 -0.12 0.00 0.02 0.00 0.00 34.50 31.30 1sda s PRO 121 CO 0.14 0.22 1.58 -3.47 -0.33 0.00 0.00 177.00 175.15 1sda n ASP 122 N 1.14 3.84 -0.98 2.53 -0.08 -1.26 -4.24 116.55 117.49 1sda n ASP 122 Ca -0.01 1.16 0.08 0.00 -1.51 0.00 0.00 54.79 54.51 1sda n ASP 122 Cb 0.45 -1.59 0.23 0.00 2.34 0.00 0.00 41.12 42.55 1sda n ASP 122 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1sda n ASP 123 N 1.96 2.85 -1.44 1.67 5.68 0.35 -4.94 116.55 122.68 1sda n ASP 123 Ca 0.08 -2.06 -0.19 0.00 -0.50 0.00 0.00 54.79 52.11 1sda n ASP 123 Cb 0.37 -0.37 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.92 -1.29 0.00 -2.12 4.77 -1.26 -0.71 117.00 117.30 1sda n LEU 124 Ca 0.17 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1sda n LEU 124 Cb 0.47 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1sda n LEU 124 CO 0.13 -1.06 0.00 0.61 -1.33 0.00 0.00 177.39 175.74 1sda n GLY 125 N -0.37 0.57 0.70 -0.72 0.00 -1.26 -3.20 105.19 100.91 1sda n GLY 125 Ca -0.19 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.23 1sda n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sda n ARG 126 N -2.71 1.77 -1.17 1.61 1.74 0.11 -4.74 116.66 113.27 1sda n ARG 126 Ca 0.00 -3.05 -0.13 0.00 -0.77 0.00 0.00 57.85 53.90 1sda n ARG 126 Cb 0.00 -1.68 0.09 0.00 -1.02 0.00 0.00 32.46 29.84 1sda n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sda n GLY 127 N -1.11 -0.56 0.78 -0.13 0.00 -1.26 -5.03 105.19 97.87 1sda n GLY 127 Ca 0.23 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.48 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 0.91 4.81 3.26 -0.02 0.00 -1.26 -4.88 105.19 108.02 1sda n GLY 128 Ca 0.08 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.67 0.13 0.32 1.61 2.20 -1.26 -5.04 114.94 110.23 1sda s ASN 129 Ca 0.40 -1.32 0.05 0.00 -0.94 0.00 0.00 52.86 51.05 1sda s ASN 129 Cb 0.36 0.41 0.68 0.00 -2.00 0.00 0.00 41.25 40.71 1sda s ASN 129 CO 0.00 -0.89 1.85 -0.33 -2.94 0.00 0.00 177.10 174.79 1sda h GLU 130 N 2.56 0.83 0.00 3.55 4.39 -1.99 -1.81 114.58 122.10 1sda h GLU 130 Ca -0.34 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 1sda h GLU 130 Cb 1.25 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1sda h GLU 130 CO 0.50 0.55 -0.14 1.49 -1.16 0.00 0.00 179.01 180.25 1sda h GLU 131 N 0.85 0.00 -0.11 2.33 4.57 -1.99 -0.76 114.58 119.48 1sda h GLU 131 Ca 0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.65 1sda h GLU 131 Cb 0.60 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1sda h GLU 131 CO -0.24 0.14 0.04 1.03 -1.18 0.00 0.00 179.01 178.81 1sda h SER 132 N 0.00 0.16 0.00 1.04 0.87 -1.67 -1.30 113.55 112.65 1sda h SER 132 Ca -0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1sda h SER 132 Cb 0.32 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1sda h SER 132 CO 0.02 0.28 0.00 0.35 -0.53 0.00 0.00 176.83 176.95 1sda n THR 133 N -4.91 0.00 0.00 2.23 -2.24 -0.30 -2.15 114.28 106.91 1sda n THR 133 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1sda n THR 133 Cb 0.12 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1sda n THR 133 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sda n LYS 134 N -0.83 1.86 0.00 -0.78 3.00 -1.12 -0.93 118.16 119.36 1sda n LYS 134 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1sda n LYS 134 Cb 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.25 1sda n LYS 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1sda n THR 135 N -1.72 0.00 -0.86 3.15 -1.04 -0.59 -4.65 114.28 108.57 1sda n THR 135 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sda n THR 135 Cb 0.34 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1sda n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sda n GLY 136 N 2.02 0.59 4.02 3.41 0.00 -0.62 -3.81 105.19 110.80 1sda n GLY 136 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -4.24 0.24 1.61 4.13 -1.19 -0.50 115.26 115.32 1sda n ASN 137 Ca 0.00 -0.86 0.14 0.00 1.68 0.00 0.00 54.58 55.54 1sda n ASN 137 Cb 0.00 -3.49 0.38 0.00 -1.54 0.00 0.00 39.78 35.14 1sda n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sda h ALA 138 N 0.95 0.99 0.00 5.41 0.00 -1.74 -3.44 119.26 121.43 1sda h ALA 138 Ca -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1sda h ALA 138 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sda h ALA 138 CO 0.71 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1sda n GLY 139 N 0.65 -1.80 3.73 0.00 0.00 -1.26 0.68 105.19 107.19 1sda n GLY 139 Ca 0.02 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 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 4.24 -0.62 1.61 1.04 -1.26 -4.44 113.70 110.27 1sda s SER 140 Ca 0.00 2.15 -0.23 0.00 0.48 0.00 0.00 55.95 58.36 1sda s SER 140 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1sda s SER 140 CO 0.00 -2.22 0.93 -0.13 0.98 0.00 0.00 173.24 172.79 1sda s ARG 141 N -4.25 3.17 0.00 4.02 3.00 -1.26 -0.80 118.95 122.83 1sda s ARG 141 Ca 0.69 -0.70 -0.21 0.00 0.00 0.00 0.00 55.73 55.51 1sda s ARG 141 Cb -0.24 -4.17 -0.20 0.00 0.00 0.00 0.00 34.95 30.34 1sda s ARG 141 CO 0.48 -1.68 1.16 -0.07 0.00 0.00 0.00 175.30 175.20 1sda h LEU 142 N 11.10 0.42 -7.61 2.53 3.38 -1.48 -3.46 115.31 120.18 1sda h LEU 142 Ca -0.28 -0.67 -0.15 0.00 0.09 0.00 0.00 57.88 56.87 1sda h LEU 142 Cb 1.07 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.47 1sda h LEU 142 CO 1.14 1.02 -0.44 0.00 0.09 0.00 0.00 178.44 180.26 1sda s ALA 143 N -3.55 -0.50 0.19 1.53 0.00 -1.16 -4.39 121.76 113.87 1sda s ALA 143 Ca -0.14 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.94 1sda s ALA 143 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1sda s ALA 143 CO 0.78 -0.18 0.38 0.00 0.00 0.00 0.00 175.76 176.74 1sda s GLY 145 N -2.95 -0.39 0.03 0.00 0.00 -0.58 -1.22 107.32 102.21 1sda s GLY 145 Ca 0.16 0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 1sda s GLY 145 CO 0.01 0.09 0.52 0.14 0.00 0.00 0.00 173.10 173.86 1sda s VAL 146 N -3.66 4.87 -0.41 1.40 1.01 -1.26 -0.45 120.40 121.90 1sda s VAL 146 Ca 0.06 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.91 1sda s VAL 146 Cb -0.03 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1sda s VAL 146 CO -0.04 0.53 0.81 -0.63 0.00 0.00 0.00 175.10 175.77 1sda s ILE 147 N -0.85 4.66 0.29 2.22 1.01 0.09 -4.51 121.20 124.10 1sda s ILE 147 Ca 0.28 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1sda s ILE 147 Cb -0.18 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1sda s ILE 147 CO 0.17 -0.59 0.10 -0.83 0.00 0.00 0.00 174.94 173.79 1sda s GLY 148 N 2.00 1.68 0.14 6.18 0.00 -0.19 -0.34 107.32 116.80 1sda s GLY 148 Ca 0.32 -1.64 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 1sda s GLY 148 CO 0.20 -1.66 1.33 -0.42 0.00 0.00 0.00 173.10 172.56 1sda s ILE 149 N -2.30 3.37 -0.00 0.90 1.01 -1.26 -0.03 121.20 122.89 1sda s ILE 149 Ca 0.34 1.03 0.08 0.00 0.00 0.00 0.00 60.65 62.10 1sda s ILE 149 Cb -0.06 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1sda s ILE 149 CO 0.22 0.11 -0.24 0.00 0.00 0.00 0.00 174.94 175.03 1sda s ALA 150 N 0.74 2.29 -2.00 9.38 0.00 -0.52 -4.77 121.76 126.89 1sda s ALA 150 Ca 0.61 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1sda s ALA 150 Cb -0.36 -0.60 0.30 0.00 0.00 0.00 0.00 23.12 22.46 1sda s ALA 150 CO 0.33 0.54 0.77 1.17 0.00 0.00 0.00 175.76 178.57