#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw7 n THR 2 N 0.00 0.17 -4.01 0.00 -1.04 -1.26 -4.45 114.28 103.69 3hw7 n THR 2 Ca 0.00 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 3hw7 n THR 2 Cb 0.00 -0.04 -0.12 0.00 -1.82 0.00 0.00 70.33 68.35 3hw7 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3hw7 s LYS 3 N -2.47 0.35 0.20 -2.82 1.02 -1.26 -1.20 119.74 113.57 3hw7 s LYS 3 Ca -0.03 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.35 3hw7 s LYS 3 Cb 0.05 -0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 3hw7 s LYS 3 CO 0.35 0.01 0.27 0.00 -0.92 0.00 0.00 175.35 175.05 3hw7 s ALA 4 N -1.11 0.41 0.03 5.17 0.00 -0.26 -1.45 121.76 124.55 3hw7 s ALA 4 Ca -0.10 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 3hw7 s ALA 4 Cb -0.08 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.17 3hw7 s ALA 4 CO -0.00 -0.67 0.36 0.54 0.00 0.00 0.00 175.76 175.98 3hw7 s VAL 5 N -4.06 0.06 -0.05 0.00 0.11 0.02 -0.94 120.40 115.54 3hw7 s VAL 5 Ca 0.27 -0.53 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3hw7 s VAL 5 Cb 0.04 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3hw7 s VAL 5 CO 0.07 -0.29 0.13 0.00 -3.33 0.00 0.00 175.10 171.67 3hw7 s VAL 7 N 0.58 3.96 -0.15 0.00 1.01 -1.26 -1.30 120.40 123.23 3hw7 s VAL 7 Ca -0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3hw7 s VAL 7 Cb -0.06 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3hw7 s VAL 7 CO -0.03 0.12 0.78 -0.76 0.00 0.00 0.00 175.10 175.21 3hw7 s LEU 8 N 1.51 4.20 0.07 3.92 1.43 0.38 -3.82 118.68 126.35 3hw7 s LEU 8 Ca 0.03 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 3hw7 s LEU 8 Cb -0.17 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3hw7 s LEU 8 CO 0.02 -0.32 -0.08 -0.54 0.23 0.00 0.00 176.35 175.66 3hw7 s LYS 9 N 1.84 0.67 0.00 1.70 1.02 -0.28 -1.66 119.74 123.04 3hw7 s LYS 9 Ca 0.37 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3hw7 s LYS 9 Cb -0.17 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 3hw7 s LYS 9 CO 0.13 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3hw7 n GLY 10 N 0.82 3.24 0.83 -3.33 0.00 -1.25 -0.63 105.19 104.86 3hw7 n GLY 10 Ca -0.18 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 44.99 3hw7 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hw7 n ASP 11 N -0.36 2.52 0.00 1.61 8.00 -1.26 -4.93 116.55 122.13 3hw7 n ASP 11 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3hw7 n ASP 11 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3hw7 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hw7 n GLY 12 N 1.31 5.74 0.23 0.44 0.00 -1.26 -5.04 105.19 106.61 3hw7 n GLY 12 Ca 0.17 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.58 3hw7 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw7 h PRO 13 N 0.00 0.00 -6.51 1.61 0.13 -1.92 -3.46 132.00 121.85 3hw7 h PRO 13 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3hw7 h PRO 13 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hw7 h PRO 13 CO 0.00 0.00 0.53 0.08 -0.23 0.00 0.00 178.00 178.38 3hw7 s VAL 14 N -3.44 4.07 0.21 1.56 1.01 -1.26 -4.53 120.40 118.02 3hw7 s VAL 14 Ca 0.04 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 3hw7 s VAL 14 Cb 0.08 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3hw7 s VAL 14 CO 0.57 0.15 0.46 0.00 0.00 0.00 0.00 175.10 176.28 3hw7 s GLN 15 N 0.74 1.39 0.04 2.72 -2.07 -0.94 -3.94 119.66 117.60 3hw7 s GLN 15 Ca 0.56 -1.05 -0.28 0.00 -1.82 0.00 0.00 55.36 52.77 3hw7 s GLN 15 Cb -0.29 0.48 0.09 0.00 -1.09 0.00 0.00 33.01 32.20 3hw7 s GLN 15 CO 0.30 -0.57 1.03 0.20 -1.32 0.00 0.00 175.29 174.94 3hw7 s GLY 16 N -2.94 -0.34 -0.10 2.60 0.00 -0.66 -0.06 107.32 105.82 3hw7 s GLY 16 Ca 0.15 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3hw7 s GLY 16 CO 0.01 0.17 -0.09 -1.59 0.00 0.00 0.00 173.10 171.61 3hw7 s THR 17 N -2.97 1.06 -0.07 0.90 2.01 -0.31 -0.47 115.64 115.78 3hw7 s THR 17 Ca 0.10 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.81 3hw7 s THR 17 Cb 0.00 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3hw7 s THR 17 CO -0.03 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.44 3hw7 s ILE 18 N 1.46 2.53 0.18 1.82 -1.09 -0.42 -1.77 121.20 123.90 3hw7 s ILE 18 Ca 0.00 -0.89 0.11 0.00 -2.23 0.00 0.00 60.65 57.64 3hw7 s ILE 18 Cb -0.13 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 3hw7 s ILE 18 CO -0.06 0.57 -0.21 -1.00 -1.23 0.00 0.00 174.94 173.01 3hw7 s HIS 19 N -0.24 2.38 -0.02 3.97 3.76 0.13 -0.53 115.29 124.74 3hw7 s HIS 19 Ca -0.00 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3hw7 s HIS 19 Cb -0.13 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.37 3hw7 s HIS 19 CO 0.03 0.47 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.30 3hw7 s PHE 20 N -1.54 0.44 -0.06 1.40 0.40 -0.12 -1.00 117.98 117.51 3hw7 s PHE 20 Ca 0.20 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 3hw7 s PHE 20 Cb -0.09 -0.41 0.02 0.00 0.51 0.00 0.00 43.02 43.06 3hw7 s PHE 20 CO 0.10 -0.10 -0.03 -2.00 0.70 0.00 0.00 175.22 173.90 3hw7 s GLU 21 N 0.58 0.77 0.04 0.44 2.12 0.37 -1.11 118.70 121.91 3hw7 s GLU 21 Ca -0.06 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3hw7 s GLU 21 Cb -0.10 -0.91 -0.08 0.00 0.26 0.00 0.00 34.13 33.30 3hw7 s GLU 21 CO -0.01 -0.17 1.70 0.00 -0.54 0.00 0.00 175.26 176.25 3hw7 s ALA 22 N 1.33 3.66 -0.11 6.30 0.00 -0.34 -0.12 121.76 132.48 3hw7 s ALA 22 Ca -0.05 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 3hw7 s ALA 22 Cb -0.13 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 19.30 3hw7 s ALA 22 CO -0.02 -1.24 0.06 0.21 0.00 0.00 0.00 175.76 174.77 3hw7 s LYS 23 N 3.22 0.12 7.08 0.00 2.20 0.03 -4.93 119.74 127.46 3hw7 s LYS 23 Ca 0.76 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 3hw7 s LYS 23 Cb -0.39 -1.28 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 3hw7 s LYS 23 CO 0.33 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 3hw7 n GLY 24 N 5.25 3.68 1.86 5.54 0.00 -1.26 -1.16 105.19 119.10 3hw7 n GLY 24 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 3hw7 n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hw7 n ASP 25 N 5.56 4.64 -4.58 1.61 5.75 -1.26 -4.96 116.55 123.30 3hw7 n ASP 25 Ca 0.00 -3.24 -0.27 0.00 -0.01 0.00 0.00 54.79 51.27 3hw7 n ASP 25 Cb 0.00 -0.72 -0.11 0.00 -1.03 0.00 0.00 41.12 39.26 3hw7 n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hw7 s THR 26 N -3.00 1.86 -0.14 2.12 -4.23 -0.31 -4.69 115.64 107.25 3hw7 s THR 26 Ca 0.54 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3hw7 s THR 26 Cb 0.43 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3hw7 s THR 26 CO 0.12 -0.02 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.35 3hw7 s VAL 27 N -2.81 2.82 -0.23 2.29 1.01 0.13 -0.79 120.40 122.83 3hw7 s VAL 27 Ca 0.35 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 3hw7 s VAL 27 Cb 0.09 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hw7 s VAL 27 CO 0.17 0.52 0.55 -0.69 0.00 0.00 0.00 175.10 175.65 3hw7 s VAL 28 N 0.60 5.06 -0.22 2.92 1.01 0.83 -1.11 120.40 129.50 3hw7 s VAL 28 Ca -0.08 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 3hw7 s VAL 28 Cb -0.16 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hw7 s VAL 28 CO 0.03 0.12 -0.03 -0.69 0.00 0.00 0.00 175.10 174.52 3hw7 s VAL 29 N 2.02 3.46 0.28 2.92 1.01 0.99 -0.48 120.40 130.59 3hw7 s VAL 29 Ca 0.24 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3hw7 s VAL 29 Cb -0.16 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 3hw7 s VAL 29 CO 0.09 0.42 0.04 0.42 0.00 0.00 0.00 175.10 176.07 3hw7 s THR 30 N 1.44 1.02 -5.00 3.92 -4.23 -0.17 -0.62 115.64 112.01 3hw7 s THR 30 Ca 0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3hw7 s THR 30 Cb -0.14 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3hw7 s THR 30 CO -0.02 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3hw7 n GLY 31 N -0.54 0.85 3.27 3.99 0.00 -0.96 0.21 105.19 112.01 3hw7 n GLY 31 Ca -0.03 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 3hw7 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw7 s SER 32 N -4.00 -0.14 -0.05 1.61 1.04 -0.73 -1.03 113.70 110.40 3hw7 s SER 32 Ca 0.00 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.18 3hw7 s SER 32 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3hw7 s SER 32 CO 0.00 -0.71 -0.16 -0.63 0.98 0.00 0.00 173.24 172.72 3hw7 s ILE 33 N -3.14 1.36 0.28 -1.02 1.01 -0.59 -1.16 121.20 117.93 3hw7 s ILE 33 Ca -0.01 -0.65 0.12 0.00 0.00 0.00 0.00 60.65 60.11 3hw7 s ILE 33 Cb 0.01 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 3hw7 s ILE 33 CO -0.07 0.40 -0.20 0.42 0.00 0.00 0.00 174.94 175.49 3hw7 s THR 34 N 0.26 2.49 0.00 2.92 -4.23 0.91 -0.48 115.64 117.51 3hw7 s THR 34 Ca -0.08 -2.39 0.00 0.00 -1.18 0.00 0.00 61.69 58.03 3hw7 s THR 34 Cb -0.13 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3hw7 s THR 34 CO 0.03 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 3hw7 n GLY 35 N -0.60 0.67 3.89 3.99 0.00 -0.21 -2.22 105.19 110.70 3hw7 n GLY 35 Ca -0.05 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3hw7 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hw7 s LEU 36 N 0.00 3.87 0.57 0.99 1.43 -0.55 -4.24 118.68 120.75 3hw7 s LEU 36 Ca 0.00 0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 53.90 3hw7 s LEU 36 Cb 0.00 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 3hw7 s LEU 36 CO 0.00 -0.37 1.06 0.42 0.23 0.00 0.00 176.35 177.69 3hw7 s THR 37 N -2.34 3.74 0.52 5.49 -4.23 -1.26 -3.96 115.64 113.60 3hw7 s THR 37 Ca 0.48 0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 61.67 3hw7 s THR 37 Cb -0.10 -3.38 -0.06 0.00 1.34 0.00 0.00 72.50 70.30 3hw7 s THR 37 CO 0.33 -0.42 1.20 -1.83 -0.54 0.00 0.00 174.62 173.36 3hw7 s GLU 38 N -3.85 3.41 0.00 3.99 -1.05 -1.26 -4.53 118.70 115.42 3hw7 s GLU 38 Ca 0.65 1.85 0.00 0.00 -0.15 0.00 0.00 54.97 57.32 3hw7 s GLU 38 Cb -0.17 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 3hw7 s GLU 38 CO 0.33 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.09 3hw7 n GLY 39 N 0.47 -0.92 3.79 -3.83 0.00 -0.17 -4.89 105.19 99.64 3hw7 n GLY 39 Ca 0.10 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 3hw7 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw7 s ASP 40 N -3.30 6.92 -0.04 1.61 1.11 -1.26 -1.11 116.67 120.61 3hw7 s ASP 40 Ca 0.00 1.87 -0.01 0.00 0.18 0.00 0.00 52.55 54.59 3hw7 s ASP 40 Cb 0.00 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.46 3hw7 s ASP 40 CO 0.00 -0.37 0.07 -1.00 1.18 0.00 0.00 175.17 175.06 3hw7 s HIS 41 N -1.83 -0.03 0.40 4.23 3.76 0.79 -2.98 115.29 119.62 3hw7 s HIS 41 Ca 0.58 0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 55.51 3hw7 s HIS 41 Cb -0.17 -0.24 -0.10 0.00 1.11 0.00 0.00 32.58 33.18 3hw7 s HIS 41 CO 0.21 -0.14 1.24 0.41 -0.85 0.00 0.00 174.74 175.62 3hw7 n GLY 42 N 4.46 0.46 2.77 -2.22 0.00 -0.29 -0.80 105.19 109.56 3hw7 n GLY 42 Ca -0.22 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3hw7 n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hw7 s PHE 43 N -1.18 -0.37 0.02 1.61 5.36 -0.61 -0.41 117.98 122.40 3hw7 s PHE 43 Ca 0.60 0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 56.77 3hw7 s PHE 43 Cb -0.53 -0.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.82 3hw7 s PHE 43 CO 0.59 -0.65 0.10 -1.01 -1.46 0.00 0.00 175.22 172.79 3hw7 s HIS 44 N 2.36 0.12 -0.03 10.12 3.76 -0.71 -2.47 115.29 128.44 3hw7 s HIS 44 Ca 0.08 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 3hw7 s HIS 44 Cb -0.16 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 3hw7 s HIS 44 CO -0.15 -0.31 1.07 0.08 -0.85 0.00 0.00 174.74 174.59 3hw7 s VAL 45 N -1.85 4.57 0.22 -0.90 1.01 -0.25 -0.84 120.40 122.36 3hw7 s VAL 45 Ca -0.11 1.85 0.06 0.00 0.00 0.00 0.00 61.98 63.77 3hw7 s VAL 45 Cb -0.06 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3hw7 s VAL 45 CO -0.01 0.08 0.22 -1.00 0.00 0.00 0.00 175.10 174.39 3hw7 s HIS 46 N 1.52 3.23 0.14 5.22 3.76 0.14 -0.39 115.29 128.90 3hw7 s HIS 46 Ca 0.53 -0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 55.22 3hw7 s HIS 46 Cb -0.23 -1.49 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3hw7 s HIS 46 CO 0.24 0.50 1.76 0.37 -0.85 0.00 0.00 174.74 176.77 3hw7 h GLN 47 N 1.72 0.26 -5.99 1.40 4.15 -0.89 -2.74 115.11 113.02 3hw7 h GLN 47 Ca -0.49 -0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.24 3hw7 h GLN 47 Cb 1.22 -0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.72 3hw7 h GLN 47 CO 0.62 0.17 -0.61 -0.06 -1.93 0.00 0.00 178.83 177.02 3hw7 s PHE 48 N -6.17 3.18 -0.97 3.99 0.08 0.64 -4.71 117.98 114.02 3hw7 s PHE 48 Ca -0.13 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3hw7 s PHE 48 Cb 0.10 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3hw7 s PHE 48 CO 0.70 0.49 2.68 0.41 -0.10 0.00 0.00 175.22 179.41 3hw7 n GLY 49 N 1.90 4.64 3.04 4.36 0.00 -0.92 -3.75 105.19 114.46 3hw7 n GLY 49 Ca -0.17 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3hw7 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hw7 s ASP 50 N 0.72 4.46 -0.15 1.61 -1.08 -1.26 -4.95 116.67 116.02 3hw7 s ASP 50 Ca 0.59 -1.57 0.16 0.00 -0.52 0.00 0.00 52.55 51.20 3hw7 s ASP 50 Cb 0.26 -1.52 0.62 0.00 -1.46 0.00 0.00 42.92 40.82 3hw7 s ASP 50 CO -0.12 -0.25 1.53 -3.20 0.52 0.00 0.00 175.17 173.65 3hw7 n ASN 51 N 4.42 4.40 0.24 -0.34 5.15 -1.26 -2.65 115.26 125.21 3hw7 n ASN 51 Ca -0.09 -2.69 0.07 0.00 -0.60 0.00 0.00 54.58 51.26 3hw7 n ASN 51 Cb 0.42 -0.54 0.56 0.00 -0.53 0.00 0.00 39.78 39.70 3hw7 n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3hw7 h THR 52 N 2.95 1.06 -1.41 -0.44 1.35 -1.93 -2.59 112.91 111.91 3hw7 h THR 52 Ca 0.00 -0.42 -0.60 0.00 -0.55 0.00 0.00 66.41 64.85 3hw7 h THR 52 Cb 1.46 1.23 -0.41 0.00 -1.73 0.00 0.00 68.15 68.70 3hw7 h THR 52 CO 0.25 0.12 -0.59 0.00 -0.25 0.00 0.00 175.52 175.05 3hw7 n GLN 53 N -4.35 3.40 0.00 4.72 6.02 -1.26 -5.06 117.38 120.85 3hw7 n GLN 53 Ca -0.03 -4.35 0.00 0.00 -0.01 0.00 0.00 57.00 52.61 3hw7 n GLN 53 Cb 0.19 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.20 3hw7 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hw7 n GLY 54 N -0.53 1.72 0.21 1.08 0.00 -0.98 -3.06 105.19 103.63 3hw7 n GLY 54 Ca 0.41 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3hw7 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw7 h THR 56 N 0.00 1.11 0.00 0.00 2.02 -1.88 -2.58 112.91 111.58 3hw7 h THR 56 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3hw7 h THR 56 Cb 0.75 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3hw7 h THR 56 CO 0.00 0.17 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 3hw7 n SER 57 N -4.63 0.00 0.28 4.18 3.41 -1.20 -2.28 113.62 113.39 3hw7 n SER 57 Ca 0.08 -0.08 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 3hw7 n SER 57 Cb 0.08 -0.22 0.95 0.00 -0.26 0.00 0.00 64.21 64.76 3hw7 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hw7 h ALA 58 N 2.84 1.00 -0.20 7.33 0.00 -1.22 -3.39 119.26 125.63 3hw7 h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hw7 h ALA 58 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hw7 h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hw7 n GLY 59 N -0.76 -1.27 3.71 0.00 0.00 -0.96 -0.26 105.19 105.65 3hw7 n GLY 59 Ca -0.02 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 3hw7 n GLY 59 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hw7 s PRO 60 N 0.00 0.17 0.36 1.61 0.04 -1.26 -4.63 135.00 131.28 3hw7 s PRO 60 Ca 0.00 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.94 3hw7 s PRO 60 Cb 0.00 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 3hw7 s PRO 60 CO 0.00 -2.83 1.28 0.72 0.04 0.00 0.00 177.00 176.21 3hw7 n HIS 61 N -4.18 2.21 -1.65 0.56 8.25 -1.26 -1.08 115.22 118.06 3hw7 n HIS 61 Ca 0.09 0.54 -0.43 0.00 -0.26 0.00 0.00 57.72 57.67 3hw7 n HIS 61 Cb 0.59 -2.40 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 3hw7 n HIS 61 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hw7 n PHE 62 N 0.21 2.42 -3.11 4.41 7.35 0.47 -4.51 117.46 124.71 3hw7 n PHE 62 Ca 0.05 -0.32 -0.17 0.00 -0.76 0.00 0.00 57.45 56.25 3hw7 n PHE 62 Cb 0.37 -2.79 -0.01 0.00 0.35 0.00 0.00 39.48 37.40 3hw7 n PHE 62 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3hw7 n ASN 63 N 8.06 0.26 0.14 -2.13 5.15 -1.26 -1.57 115.26 123.90 3hw7 n ASN 63 Ca 0.22 -3.10 0.12 0.00 -0.60 0.00 0.00 54.58 51.22 3hw7 n ASN 63 Cb 0.40 -0.20 0.50 0.00 -0.53 0.00 0.00 39.78 39.95 3hw7 n ASN 63 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3hw7 n PRO 64 N 0.38 0.21 -0.08 1.20 -0.04 -1.26 -2.45 135.00 132.95 3hw7 n PRO 64 Ca 0.22 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 3hw7 n PRO 64 Cb 0.66 -1.89 0.26 0.00 -0.04 0.00 0.00 33.50 32.49 3hw7 n PRO 64 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hw7 n LEU 65 N -2.27 2.68 -3.60 1.53 4.77 -1.26 -4.99 117.00 113.86 3hw7 n LEU 65 Ca 0.02 -1.03 -0.20 0.00 -0.03 0.00 0.00 56.01 54.77 3hw7 n LEU 65 Cb 0.24 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 3hw7 n LEU 65 CO 0.20 0.52 -0.02 -1.20 -1.33 0.00 0.00 177.39 175.56 3hw7 n SER 66 N 1.03 -1.97 -4.89 -1.43 7.64 -1.03 -5.00 113.62 107.97 3hw7 n SER 66 Ca 0.17 -0.77 -0.20 0.00 1.01 0.00 0.00 58.87 59.08 3hw7 n SER 66 Cb 0.51 -4.39 -0.03 0.00 -1.01 0.00 0.00 64.21 59.30 3hw7 n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3hw7 s LYS 67 N -5.70 2.62 0.71 1.43 1.02 -1.26 -5.12 119.74 113.43 3hw7 s LYS 67 Ca 0.06 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.49 3hw7 s LYS 67 Cb -0.01 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3hw7 s LYS 67 CO 0.79 -0.13 1.07 0.15 -0.92 0.00 0.00 175.35 176.31 3hw7 s LYS 68 N -4.12 2.84 0.31 1.68 1.02 -1.26 -4.72 119.74 115.48 3hw7 s LYS 68 Ca 0.47 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.85 3hw7 s LYS 68 Cb -0.05 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.16 3hw7 s LYS 68 CO 0.28 -1.10 1.33 -1.58 -0.92 0.00 0.00 175.35 173.36 3hw7 s HIS 69 N -3.20 3.05 0.01 3.18 5.65 0.37 -3.23 115.29 121.12 3hw7 s HIS 69 Ca 0.58 1.35 0.00 0.00 0.25 0.00 0.00 55.06 57.24 3hw7 s HIS 69 Cb -0.13 -3.70 -0.00 0.00 -1.18 0.00 0.00 32.58 27.57 3hw7 s HIS 69 CO 0.54 -1.99 0.01 0.41 -0.65 0.00 0.00 174.74 173.06 3hw7 n GLY 70 N 1.09 3.43 3.95 1.59 0.00 -1.23 -4.27 105.19 109.75 3hw7 n GLY 70 Ca 0.01 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 3hw7 n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hw7 s GLY 71 N -1.06 1.65 0.58 -0.02 0.00 -1.15 -4.61 107.32 102.71 3hw7 s GLY 71 Ca 0.01 -1.05 0.32 0.00 0.00 0.00 0.00 44.72 44.00 3hw7 s GLY 71 CO 0.01 -0.82 2.19 -0.56 0.00 0.00 0.00 173.10 173.92 3hw7 h PRO 72 N 0.15 0.00 -0.00 2.90 0.13 -1.87 -1.68 132.00 131.63 3hw7 h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hw7 h PRO 72 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hw7 h PRO 72 CO 0.57 0.05 -0.30 1.63 -0.23 0.00 0.00 178.00 179.71 3hw7 n LYS 73 N -3.55 0.51 -2.78 0.86 5.02 -1.26 -4.92 118.16 112.04 3hw7 n LYS 73 Ca -0.02 -0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 55.67 3hw7 n LYS 73 Cb 0.15 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3hw7 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hw7 s ASP 74 N -2.68 6.75 0.12 4.39 1.01 -0.64 -4.99 116.67 120.64 3hw7 s ASP 74 Ca 0.20 1.48 -0.02 0.00 0.71 0.00 0.00 52.55 54.92 3hw7 s ASP 74 Cb 0.19 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.52 3hw7 s ASP 74 CO 0.57 -0.40 1.27 -0.08 0.21 0.00 0.00 175.17 176.74 3hw7 h GLU 75 N 1.61 0.30 -4.58 8.23 4.81 -1.91 -3.39 114.58 119.65 3hw7 h GLU 75 Ca -0.48 -0.38 -0.71 0.00 -0.13 0.00 0.00 59.36 57.65 3hw7 h GLU 75 Cb 1.18 0.12 -0.21 0.00 0.63 0.00 0.00 28.75 30.48 3hw7 h GLU 75 CO 0.62 1.10 0.09 -2.00 -0.73 0.00 0.00 179.01 178.10 3hw7 s GLU 76 N -3.03 3.08 0.04 1.92 2.56 -1.26 -4.98 118.70 117.02 3hw7 s GLU 76 Ca -0.04 -1.44 -0.24 0.00 0.00 0.00 0.00 54.97 53.25 3hw7 s GLU 76 Cb 0.09 -4.30 0.06 0.00 2.00 0.00 0.00 34.13 31.97 3hw7 s GLU 76 CO 0.86 -1.51 0.55 -0.98 -0.56 0.00 0.00 175.26 173.62 3hw7 s ARG 77 N 2.43 1.06 0.51 4.30 1.70 -1.20 -3.47 118.95 124.28 3hw7 s ARG 77 Ca 0.11 -0.16 -0.21 0.00 -0.47 0.00 0.00 55.73 55.01 3hw7 s ARG 77 Cb -0.24 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 3hw7 s ARG 77 CO 0.05 -0.38 1.12 -1.01 -1.08 0.00 0.00 175.30 174.00 3hw7 s HIS 78 N -2.30 2.78 0.24 5.89 3.76 -1.21 -4.70 115.29 119.76 3hw7 s HIS 78 Ca -0.06 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.36 3hw7 s HIS 78 Cb -0.01 -3.27 0.45 0.00 1.11 0.00 0.00 32.58 30.86 3hw7 s HIS 78 CO -0.00 -1.42 1.73 0.28 -0.85 0.00 0.00 174.74 174.47 3hw7 h VAL 79 N 1.44 0.65 0.00 -0.90 2.07 -1.86 -1.93 116.25 115.72 3hw7 h VAL 79 Ca -0.50 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3hw7 h VAL 79 Cb 1.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hw7 h VAL 79 CO 0.58 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.86 3hw7 n GLY 80 N -1.33 -0.52 3.56 2.17 0.00 -0.61 -4.11 105.19 104.35 3hw7 n GLY 80 Ca 0.14 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3hw7 n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hw7 s ASP 81 N -2.08 6.15 0.00 1.61 -0.00 -0.73 -1.09 116.67 120.52 3hw7 s ASP 81 Ca 0.21 -0.84 0.20 0.00 -0.00 0.00 0.00 52.55 52.12 3hw7 s ASP 81 Cb 0.10 -2.56 0.54 0.00 -0.00 0.00 0.00 42.92 41.00 3hw7 s ASP 81 CO 0.18 -1.82 1.45 0.18 -0.00 0.00 0.00 175.17 175.16 3hw7 n LEU 82 N 9.84 3.65 0.00 1.23 4.77 -1.03 -3.49 117.00 131.96 3hw7 n LEU 82 Ca 0.21 -1.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 3hw7 n LEU 82 Cb 0.50 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hw7 n LEU 82 CO 0.68 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.25 3hw7 n GLY 83 N 1.36 1.18 3.21 -0.72 0.00 -1.17 -4.80 105.19 104.25 3hw7 n GLY 83 Ca 0.21 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 3hw7 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hw7 s ASN 84 N -4.00 1.84 0.12 1.61 0.01 -1.26 -1.57 114.94 111.68 3hw7 s ASN 84 Ca 0.00 -0.73 0.05 0.00 -0.71 0.00 0.00 52.86 51.47 3hw7 s ASN 84 Cb 0.00 -0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 3hw7 s ASN 84 CO 0.00 -0.12 0.03 0.68 -1.51 0.00 0.00 177.10 176.18 3hw7 s VAL 85 N -1.79 4.09 -0.21 1.60 -7.23 0.02 -4.89 120.40 111.99 3hw7 s VAL 85 Ca 0.04 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 3hw7 s VAL 85 Cb -0.07 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.92 3hw7 s VAL 85 CO 0.02 0.04 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.82 3hw7 s THR 86 N -1.47 1.98 0.18 5.32 2.01 -1.26 -0.15 115.64 122.26 3hw7 s THR 86 Ca 0.27 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 3hw7 s THR 86 Cb -0.11 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.35 3hw7 s THR 86 CO 0.20 0.23 0.71 0.00 -0.69 0.00 0.00 174.62 175.07 3hw7 s ALA 87 N 1.25 3.46 0.82 7.40 0.00 -0.27 -4.17 121.76 130.25 3hw7 s ALA 87 Ca -0.02 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 3hw7 s ALA 87 Cb -0.16 -2.83 0.11 0.00 0.00 0.00 0.00 23.12 20.24 3hw7 s ALA 87 CO -0.09 0.33 0.69 -0.40 0.00 0.00 0.00 175.76 176.29 3hw7 n ASP 88 N 1.15 0.37 0.28 0.00 5.68 -0.63 -1.00 116.55 122.41 3hw7 n ASP 88 Ca -0.05 -1.45 0.13 0.00 -0.50 0.00 0.00 54.79 52.92 3hw7 n ASP 88 Cb 0.50 -0.50 0.79 0.00 -1.14 0.00 0.00 41.12 40.78 3hw7 n ASP 88 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hw7 h LYS 89 N 0.00 0.00 -0.00 0.11 1.57 -1.95 0.91 116.57 117.21 3hw7 h LYS 89 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hw7 h LYS 89 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hw7 h LYS 89 CO 0.19 0.05 -0.04 -1.71 -0.57 0.00 0.00 179.45 177.37 3hw7 n ASN 90 N -3.91 0.24 0.00 0.86 2.85 -1.26 -4.87 115.26 109.16 3hw7 n ASN 90 Ca -0.03 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 3hw7 n ASN 90 Cb 0.14 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.03 3hw7 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hw7 n GLY 91 N 1.22 0.48 3.43 8.20 0.00 0.32 -4.67 105.19 114.16 3hw7 n GLY 91 Ca 0.16 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3hw7 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw7 s VAL 92 N -2.00 3.91 -0.22 1.61 1.01 -1.26 -1.04 120.40 122.41 3hw7 s VAL 92 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3hw7 s VAL 92 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3hw7 s VAL 92 CO 0.00 0.42 0.04 0.00 0.00 0.00 0.00 175.10 175.56 3hw7 s ALA 93 N 1.13 3.15 -0.17 5.51 0.00 0.37 -1.60 121.76 130.15 3hw7 s ALA 93 Ca 0.03 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 3hw7 s ALA 93 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 3hw7 s ALA 93 CO 0.01 -0.21 0.58 0.42 0.00 0.00 0.00 175.76 176.56 3hw7 s ILE 94 N 1.11 5.08 -0.24 0.00 -1.09 -1.26 -1.54 121.20 123.26 3hw7 s ILE 94 Ca 0.03 1.12 -0.13 0.00 -2.23 0.00 0.00 60.65 59.44 3hw7 s ILE 94 Cb -0.14 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3hw7 s ILE 94 CO 0.02 0.19 0.28 -0.69 -1.23 0.00 0.00 174.94 173.51 3hw7 s VAL 95 N 1.46 5.26 -0.35 2.92 1.01 -0.20 -4.70 120.40 125.80 3hw7 s VAL 95 Ca 0.28 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.71 3hw7 s VAL 95 Cb -0.16 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.76 3hw7 s VAL 95 CO 0.11 0.26 0.41 -0.62 0.00 0.00 0.00 175.10 175.26 3hw7 s ASP 96 N 1.28 0.76 0.00 3.32 2.15 -1.24 -2.28 116.67 120.66 3hw7 s ASP 96 Ca 0.12 -1.21 0.03 0.00 0.43 0.00 0.00 52.55 51.92 3hw7 s ASP 96 Cb -0.15 0.82 -0.01 0.00 -0.30 0.00 0.00 42.92 43.28 3hw7 s ASP 96 CO 0.08 -0.28 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.07 3hw7 s ILE 97 N 1.75 0.80 -0.12 4.11 1.01 0.21 -5.01 121.20 123.96 3hw7 s ILE 97 Ca 0.15 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3hw7 s ILE 97 Cb -0.13 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3hw7 s ILE 97 CO -0.11 0.17 -0.19 -0.69 0.00 0.00 0.00 174.94 174.12 3hw7 s VAL 98 N -0.36 1.80 -0.05 2.92 1.01 -1.26 -0.01 120.40 124.45 3hw7 s VAL 98 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3hw7 s VAL 98 Cb -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3hw7 s VAL 98 CO -0.00 0.50 -0.14 -0.62 0.00 0.00 0.00 175.10 174.84 3hw7 s ASP 99 N 0.88 1.87 0.04 3.32 2.15 -0.27 -4.96 116.67 119.70 3hw7 s ASP 99 Ca -0.07 -0.31 0.25 0.00 0.43 0.00 0.00 52.55 52.85 3hw7 s ASP 99 Cb -0.15 -0.66 0.51 0.00 -0.30 0.00 0.00 42.92 42.32 3hw7 s ASP 99 CO -0.01 0.09 1.43 -0.81 -0.17 0.00 0.00 175.17 175.70 3hw7 n PRO 100 N 3.42 0.10 -0.10 4.34 -0.04 -1.26 -0.69 135.00 140.78 3hw7 n PRO 100 Ca -0.20 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 3hw7 n PRO 100 Cb 0.53 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 3hw7 n PRO 100 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hw7 h LEU 101 N 0.00 0.00-10.22 1.53 5.85 -1.89 -3.45 115.31 107.13 3hw7 h LEU 101 Ca 0.00 -0.52 -0.53 0.00 0.84 0.00 0.00 57.88 57.67 3hw7 h LEU 101 Cb 0.59 0.00 0.17 0.00 0.37 0.00 0.00 40.66 41.79 3hw7 h LEU 101 CO 0.00 1.46 0.33 0.27 -0.34 0.00 0.00 178.44 180.16 3hw7 s ILE 102 N -2.35 2.25 0.12 4.05 -4.36 -1.26 -4.86 121.20 114.79 3hw7 s ILE 102 Ca -0.28 0.11 -0.04 0.00 -0.26 0.00 0.00 60.65 60.17 3hw7 s ILE 102 Cb 0.05 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 3hw7 s ILE 102 CO 0.59 -0.08 0.13 -0.55 0.24 0.00 0.00 174.94 175.27 3hw7 s SER 103 N -2.32 0.23 0.00 4.36 0.15 -1.02 -4.39 113.70 110.72 3hw7 s SER 103 Ca 0.71 -1.00 0.20 0.00 0.70 0.00 0.00 55.95 56.56 3hw7 s SER 103 Cb -0.27 0.33 0.48 0.00 -1.71 0.00 0.00 66.02 64.85 3hw7 s SER 103 CO 0.50 -0.76 1.40 0.18 1.20 0.00 0.00 173.24 175.77 3hw7 n LEU 104 N -0.10 3.49 -3.68 3.45 4.77 -1.26 -1.21 117.00 122.47 3hw7 n LEU 104 Ca -0.09 -1.77 -0.10 0.00 -0.03 0.00 0.00 56.01 54.03 3hw7 n LEU 104 Cb 0.63 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3hw7 n LEU 104 CO 0.27 0.82 0.14 -0.94 -1.33 0.00 0.00 177.39 176.35 3hw7 s SER 105 N -1.17 -0.19 0.22 -1.43 1.04 -1.26 -1.17 113.70 109.74 3hw7 s SER 105 Ca 0.39 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3hw7 s SER 105 Cb 0.21 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3hw7 s SER 105 CO 0.29 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3hw7 n GLY 106 N -0.22 -0.40 0.35 7.32 0.00 -1.26 -3.71 105.19 107.27 3hw7 n GLY 106 Ca -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 3hw7 n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hw7 h GLU 107 N 0.00 1.16 -0.59 1.61 4.81 -2.01 -2.33 114.58 117.23 3hw7 h GLU 107 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3hw7 h GLU 107 Cb 0.00 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.16 3hw7 h GLU 107 CO 0.00 0.86 0.00 0.66 -0.73 0.00 0.00 179.01 179.80 3hw7 n TYR 108 N -4.33 0.95 -1.68 0.92 4.01 -1.26 -4.97 117.16 110.80 3hw7 n TYR 108 Ca 0.08 -0.41 -0.45 0.00 -0.16 0.00 0.00 57.90 56.97 3hw7 n TYR 108 Cb 0.11 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 3hw7 n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hw7 n SER 109 N 0.88 3.13 -0.88 7.72 2.88 -0.88 -2.43 113.62 124.03 3hw7 n SER 109 Ca 0.18 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.95 3hw7 n SER 109 Cb 0.60 -1.46 0.11 0.00 -0.75 0.00 0.00 64.21 62.70 3hw7 n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3hw7 n ILE 110 N 2.61 0.10 -1.72 2.46 -5.35 -0.35 -4.89 119.36 112.22 3hw7 n ILE 110 Ca 0.13 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 3hw7 n ILE 110 Cb 0.32 1.35 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 3hw7 n ILE 110 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3hw7 n ILE 111 N 1.22 0.20 -0.97 7.28 2.08 -1.26 -0.44 119.36 127.46 3hw7 n ILE 111 Ca 0.13 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.39 3hw7 n ILE 111 Cb 0.54 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 3hw7 n ILE 111 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hw7 n GLY 112 N 3.56 0.63 0.49 7.39 0.00 0.19 -4.99 105.19 112.47 3hw7 n GLY 112 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3hw7 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw7 n ARG 113 N -2.23 1.19 -5.04 1.61 1.74 0.42 -2.16 116.66 112.18 3hw7 n ARG 113 Ca 0.00 -0.42 -0.30 0.00 -0.77 0.00 0.00 57.85 56.36 3hw7 n ARG 113 Cb 0.04 0.01 -0.17 0.00 -1.02 0.00 0.00 32.46 31.32 3hw7 n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hw7 s THR 114 N 0.06 1.79 -0.06 0.55 2.01 -1.03 -0.07 115.64 118.89 3hw7 s THR 114 Ca 0.06 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 3hw7 s THR 114 Cb -0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3hw7 s THR 114 CO 0.04 0.50 0.63 -0.32 -0.69 0.00 0.00 174.62 174.78 3hw7 s MET 115 N 0.38 4.39 -0.06 4.92 1.75 -0.47 0.24 119.30 130.46 3hw7 s MET 115 Ca -0.16 0.75 0.04 0.00 -1.25 0.00 0.00 55.69 55.07 3hw7 s MET 115 Cb -0.17 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.08 3hw7 s MET 115 CO 0.07 0.15 -0.16 0.08 -0.65 0.00 0.00 175.02 174.50 3hw7 s VAL 116 N 0.56 1.42 -0.07 10.11 1.01 -0.02 -2.06 120.40 131.34 3hw7 s VAL 116 Ca 0.34 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3hw7 s VAL 116 Cb -0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3hw7 s VAL 116 CO 0.16 0.41 -0.04 0.54 0.00 0.00 0.00 175.10 176.17 3hw7 s VAL 117 N 0.30 3.91 0.36 2.92 0.11 -0.85 -1.74 120.40 125.40 3hw7 s VAL 117 Ca -0.10 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 3hw7 s VAL 117 Cb -0.14 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 32.04 3hw7 s VAL 117 CO 0.04 0.59 0.13 -1.00 -3.33 0.00 0.00 175.10 171.53 3hw7 s HIS 118 N -0.85 2.65 0.15 1.54 3.76 0.45 -0.47 115.29 122.52 3hw7 s HIS 118 Ca 0.13 -0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 3hw7 s HIS 118 Cb -0.11 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.89 3hw7 s HIS 118 CO 0.02 0.32 1.59 1.49 -0.85 0.00 0.00 174.74 177.31 3hw7 h GLU 119 N 1.56 0.89 -5.97 1.40 4.81 -0.72 -3.37 114.58 113.19 3hw7 h GLU 119 Ca -0.43 -0.30 -0.60 0.00 -0.13 0.00 0.00 59.36 57.90 3hw7 h GLU 119 Cb 1.25 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 3hw7 h GLU 119 CO 0.66 0.94 -0.64 0.15 -0.73 0.00 0.00 179.01 179.39 3hw7 s LYS 120 N -4.97 1.98 0.63 1.92 1.02 0.11 -4.93 119.74 115.50 3hw7 s LYS 120 Ca -0.12 -1.84 -0.18 0.00 0.02 0.00 0.00 55.97 53.85 3hw7 s LYS 120 Cb 0.12 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 3hw7 s LYS 120 CO 0.83 0.12 1.09 -2.30 -0.92 0.00 0.00 175.35 174.17 3hw7 n PRO 121 N -0.90 0.94 -3.30 -1.68 -0.02 -1.16 -1.14 135.00 127.73 3hw7 n PRO 121 Ca -0.04 0.37 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 3hw7 n PRO 121 Cb 0.63 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 3hw7 n PRO 121 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hw7 s ASP 122 N -1.34 6.43 0.00 2.55 -1.08 -1.26 -3.67 116.67 118.29 3hw7 s ASP 122 Ca 0.79 0.51 0.16 0.00 -0.52 0.00 0.00 52.55 53.49 3hw7 s ASP 122 Cb -0.40 -2.26 0.87 0.00 -1.46 0.00 0.00 42.92 39.68 3hw7 s ASP 122 CO 0.44 -0.19 1.57 -0.90 0.52 0.00 0.00 175.17 176.61 3hw7 n ASP 123 N 5.09 0.36 -2.27 -0.34 5.68 0.10 -4.88 116.55 120.29 3hw7 n ASP 123 Ca -0.06 -1.57 -0.19 0.00 -0.50 0.00 0.00 54.79 52.48 3hw7 n ASP 123 Cb 0.50 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3hw7 n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hw7 n LEU 124 N -0.51 -2.05 -0.63 -2.12 4.77 -1.26 -2.20 117.00 113.00 3hw7 n LEU 124 Ca 0.12 -0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3hw7 n LEU 124 Cb 0.11 -2.66 -0.01 0.00 -2.33 0.00 0.00 43.42 38.53 3hw7 n LEU 124 CO 0.09 -0.07 -0.07 0.61 -1.33 0.00 0.00 177.39 176.62 3hw7 n GLY 125 N -1.14 0.28 0.24 -0.72 0.00 -1.22 -2.91 105.19 99.72 3hw7 n GLY 125 Ca -0.18 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.19 3hw7 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw7 n ARG 126 N -1.85 0.69 0.03 1.61 1.74 -0.93 -4.75 116.66 113.19 3hw7 n ARG 126 Ca -0.07 -1.43 0.13 0.00 -0.77 0.00 0.00 57.85 55.72 3hw7 n ARG 126 Cb 0.47 -0.84 0.48 0.00 -1.02 0.00 0.00 32.46 31.55 3hw7 n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw7 n GLY 127 N -0.47 -1.50 2.60 -0.13 0.00 -1.26 -4.92 105.19 99.51 3hw7 n GLY 127 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hw7 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw7 n GLY 128 N 1.45 1.73 3.53 -0.02 0.00 -1.26 -5.00 105.19 105.61 3hw7 n GLY 128 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3hw7 n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hw7 n ASN 129 N 0.00 2.52 -0.00 1.61 6.94 -1.26 -5.03 115.26 120.03 3hw7 n ASN 129 Ca 0.00 -2.70 -0.11 0.00 -0.02 0.00 0.00 54.58 51.76 3hw7 n ASN 129 Cb 0.00 -0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.36 3hw7 n ASN 129 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3hw7 h GLU 130 N 0.00 0.59 -0.29 -3.83 4.81 -2.01 -3.12 114.58 110.73 3hw7 h GLU 130 Ca -0.31 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.47 3hw7 h GLU 130 Cb 1.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3hw7 h GLU 130 CO 0.48 1.00 -0.07 1.49 -0.73 0.00 0.00 179.01 181.19 3hw7 h GLU 131 N 0.44 0.46 -0.79 1.92 4.57 -2.00 -2.52 114.58 116.67 3hw7 h GLU 131 Ca 0.00 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3hw7 h GLU 131 Cb 1.14 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.62 3hw7 h GLU 131 CO 0.11 0.54 0.52 1.03 -1.18 0.00 0.00 179.01 180.03 3hw7 h SER 132 N 0.44 0.72 1.40 1.04 0.87 -1.88 0.11 113.55 116.25 3hw7 h SER 132 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3hw7 h SER 132 Cb 0.39 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3hw7 h SER 132 CO 0.02 0.45 0.00 0.74 -0.53 0.00 0.00 176.83 177.51 3hw7 h THR 133 N 0.81 0.00 0.00 2.23 2.02 -1.54 -1.83 112.91 114.60 3hw7 h THR 133 Ca 0.35 -0.60 -0.38 0.00 0.77 0.00 0.00 66.41 66.55 3hw7 h THR 133 Cb 0.30 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 3hw7 h THR 133 CO -0.13 0.00 -2.28 0.29 0.37 0.00 0.00 175.52 173.78 3hw7 n LYS 134 N -2.70 0.49 0.00 6.66 5.02 -0.33 -0.47 118.16 126.82 3hw7 n LYS 134 Ca 0.03 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3hw7 n LYS 134 Cb 0.40 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3hw7 n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hw7 n THR 135 N -3.97 0.00 -1.12 -0.18 -2.24 0.25 -4.57 114.28 102.44 3hw7 n THR 135 Ca -0.45 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 3hw7 n THR 135 Cb 0.83 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 70.19 3hw7 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw7 n GLY 136 N 0.36 0.66 2.42 3.38 0.00 -0.69 -3.12 105.19 108.20 3hw7 n GLY 136 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3hw7 n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hw7 n ASN 137 N -0.02 -5.65 0.00 1.61 3.02 -1.26 0.00 115.26 112.96 3hw7 n ASN 137 Ca -0.04 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 3hw7 n ASN 137 Cb 0.26 -4.74 0.62 0.00 -0.61 0.00 0.00 39.78 35.32 3hw7 n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw7 n ALA 138 N -1.78 2.25 -0.38 5.41 0.00 -1.18 -4.72 120.51 120.12 3hw7 n ALA 138 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3hw7 n ALA 138 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3hw7 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hw7 n GLY 139 N 0.88 0.52 3.73 0.00 0.00 -1.26 0.05 105.19 109.10 3hw7 n GLY 139 Ca 0.11 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3hw7 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw7 s SER 140 N -4.00 4.08 -0.50 1.61 0.01 -1.26 -4.61 113.70 109.04 3hw7 s SER 140 Ca 0.00 2.17 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 3hw7 s SER 140 Cb 0.00 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.70 3hw7 s SER 140 CO 0.00 -2.33 0.76 -0.13 0.41 0.00 0.00 173.24 171.96 3hw7 s ARG 141 N -4.29 3.28 0.09 12.44 0.52 -1.26 -0.50 118.95 129.22 3hw7 s ARG 141 Ca 0.69 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 55.34 3hw7 s ARG 141 Cb -0.24 -4.02 -0.20 0.00 0.52 0.00 0.00 34.95 31.00 3hw7 s ARG 141 CO 0.49 -1.25 1.24 -0.07 0.02 0.00 0.00 175.30 175.73 3hw7 h LEU 142 N 10.21 0.93 -7.12 2.53 3.38 -1.07 -3.48 115.31 120.69 3hw7 h LEU 142 Ca -0.26 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 56.97 3hw7 h LEU 142 Cb 1.09 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 3hw7 h LEU 142 CO 0.99 1.50 0.10 0.00 0.09 0.00 0.00 178.44 181.12 3hw7 s ALA 143 N -3.49 -1.45 0.20 1.53 0.00 -1.16 -4.14 121.76 113.24 3hw7 s ALA 143 Ca -0.10 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3hw7 s ALA 143 Cb 0.08 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.68 3hw7 s ALA 143 CO 0.92 -0.55 0.56 0.00 0.00 0.00 0.00 175.76 176.69 3hw7 s GLY 145 N -2.85 -0.46 0.12 0.00 0.00 -0.88 -1.12 107.32 102.13 3hw7 s GLY 145 Ca 0.07 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 3hw7 s GLY 145 CO -0.04 0.47 1.05 0.14 0.00 0.00 0.00 173.10 174.72 3hw7 s VAL 146 N -2.03 4.24 -0.30 1.40 1.01 -1.26 -1.36 120.40 122.10 3hw7 s VAL 146 Ca -0.07 1.82 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 3hw7 s VAL 146 Cb -0.01 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3hw7 s VAL 146 CO 0.02 0.26 0.92 -0.63 0.00 0.00 0.00 175.10 175.67 3hw7 s ILE 147 N 0.15 4.69 0.34 2.22 1.01 0.90 -4.43 121.20 126.07 3hw7 s ILE 147 Ca 0.50 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.74 3hw7 s ILE 147 Cb -0.26 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3hw7 s ILE 147 CO 0.31 -0.31 0.11 -0.83 0.00 0.00 0.00 174.94 174.23 3hw7 s GLY 148 N 1.56 1.96 0.16 6.18 0.00 0.43 0.57 107.32 118.17 3hw7 s GLY 148 Ca 0.38 -1.85 -0.31 0.00 0.00 0.00 0.00 44.72 42.94 3hw7 s GLY 148 CO 0.12 -1.79 1.53 -0.42 0.00 0.00 0.00 173.10 172.54 3hw7 s ILE 149 N -2.44 2.76 0.26 0.90 1.01 -1.26 -0.80 121.20 121.64 3hw7 s ILE 149 Ca 0.37 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.67 3hw7 s ILE 149 Cb -0.02 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3hw7 s ILE 149 CO 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 174.94 175.18 3hw7 s ALA 150 N 1.10 3.12 -2.00 9.38 0.00 -0.53 -4.77 121.76 128.06 3hw7 s ALA 150 Ca 0.69 -1.66 0.16 0.00 0.00 0.00 0.00 51.96 51.14 3hw7 s ALA 150 Cb -0.42 -0.73 0.98 0.00 0.00 0.00 0.00 23.12 22.95 3hw7 s ALA 150 CO 0.31 0.28 1.38 1.17 0.00 0.00 0.00 175.76 178.90