#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9q n THR 2 N 0.00 0.00 -3.87 0.00 5.66 -1.26 -4.65 114.28 110.16 1e9q n THR 2 Ca 0.00 -0.27 -0.12 0.00 -3.05 0.00 0.00 64.05 60.61 1e9q n THR 2 Cb 0.00 0.31 -0.14 0.00 -1.55 0.00 0.00 70.33 68.95 1e9q n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1e9q s LYS 3 N -2.75 0.03 0.19 1.09 1.02 -1.26 -1.35 119.74 116.71 1e9q s LYS 3 Ca -0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.95 1e9q s LYS 3 Cb 0.08 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1e9q s LYS 3 CO 0.50 -0.00 0.08 0.00 -0.92 0.00 0.00 175.35 175.00 1e9q s ALA 4 N -0.06 1.21 0.03 5.17 0.00 -0.02 -1.47 121.76 126.63 1e9q s ALA 4 Ca -0.01 -1.64 -0.15 0.00 0.00 0.00 0.00 51.96 50.16 1e9q s ALA 4 Cb -0.01 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1e9q s ALA 4 CO -0.00 -0.49 0.33 0.54 0.00 0.00 0.00 175.76 176.14 1e9q s VAL 5 N -3.97 0.07 -0.06 0.00 0.11 -0.10 -0.88 120.40 115.58 1e9q s VAL 5 Ca 0.32 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1e9q s VAL 5 Cb 0.07 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1e9q s VAL 5 CO 0.08 -0.32 0.13 0.00 -3.33 0.00 0.00 175.10 171.66 1e9q s VAL 7 N 0.71 4.24 -0.08 0.00 1.01 -1.26 -1.15 120.40 123.87 1e9q s VAL 7 Ca -0.05 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1e9q s VAL 7 Cb -0.07 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1e9q s VAL 7 CO -0.03 0.23 0.74 -0.76 0.00 0.00 0.00 175.10 175.28 1e9q s LEU 8 N 1.58 4.29 0.05 3.92 1.43 0.26 -3.99 118.68 126.23 1e9q s LEU 8 Ca 0.05 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1e9q s LEU 8 Cb -0.16 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1e9q s LEU 8 CO 0.04 -0.17 0.07 -0.54 0.23 0.00 0.00 176.35 175.97 1e9q s LYS 9 N 1.05 0.64 0.00 1.70 1.02 -0.69 -2.54 119.74 120.93 1e9q s LYS 9 Ca 0.39 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1e9q s LYS 9 Cb -0.18 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1e9q s LYS 9 CO 0.18 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 1e9q n GLY 10 N 0.39 3.18 0.04 -3.33 0.00 -1.26 -0.80 105.19 103.42 1e9q n GLY 10 Ca -0.17 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1e9q n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9q n ASP 11 N -0.21 0.60 0.00 1.61 8.00 -1.26 -4.92 116.55 120.37 1e9q n ASP 11 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1e9q n ASP 11 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1e9q n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e9q n GLY 12 N 1.40 2.22 0.08 0.44 0.00 -1.26 -5.02 105.19 103.04 1e9q n GLY 12 Ca 0.04 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1e9q n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9q n PRO 13 N 0.00 0.45 -2.47 1.61 -0.04 -1.26 -4.88 135.00 128.40 1e9q n PRO 13 Ca 0.00 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 1e9q n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1e9q n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1e9q s VAL 14 N -2.66 4.27 0.10 0.52 1.01 -1.26 -4.34 120.40 118.05 1e9q s VAL 14 Ca 0.23 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 63.75 1e9q s VAL 14 Cb 0.19 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1e9q s VAL 14 CO 0.52 0.02 0.16 -1.10 0.00 0.00 0.00 175.10 174.70 1e9q s GLN 15 N 2.00 0.88 -0.12 2.72 -0.21 -0.92 -3.98 119.66 120.03 1e9q s GLN 15 Ca 0.56 -1.08 -0.34 0.00 0.02 0.00 0.00 55.36 54.52 1e9q s GLN 15 Cb -0.25 0.32 0.15 0.00 1.00 0.00 0.00 33.01 34.23 1e9q s GLN 15 CO 0.23 -0.27 1.42 0.20 -2.12 0.00 0.00 175.29 174.75 1e9q s GLY 16 N -2.91 -0.45 -0.06 3.09 0.00 -1.05 -0.47 107.32 105.47 1e9q s GLY 16 Ca 0.09 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1e9q s GLY 16 CO -0.08 0.25 -0.03 -1.59 0.00 0.00 0.00 173.10 171.65 1e9q s THR 17 N -2.05 0.56 -0.11 0.90 2.01 -0.86 -0.57 115.64 115.51 1e9q s THR 17 Ca 0.14 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1e9q s THR 17 Cb 0.06 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1e9q s THR 17 CO -0.06 0.26 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.34 1e9q s ILE 18 N 1.39 2.81 0.05 1.82 -1.09 -0.30 -2.69 121.20 123.18 1e9q s ILE 18 Ca -0.03 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1e9q s ILE 18 Cb -0.13 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1e9q s ILE 18 CO -0.03 0.54 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.14 1e9q s HIS 19 N 0.24 2.82 -0.03 3.97 3.76 0.68 -0.97 115.29 125.75 1e9q s HIS 19 Ca -0.10 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1e9q s HIS 19 Cb -0.16 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.99 1e9q s HIS 19 CO 0.06 0.39 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.12 1e9q s PHE 20 N -1.08 1.47 -0.08 1.40 0.40 -0.06 -1.56 117.98 118.48 1e9q s PHE 20 Ca 0.19 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1e9q s PHE 20 Cb -0.11 -0.99 0.04 0.00 0.51 0.00 0.00 43.02 42.47 1e9q s PHE 20 CO 0.10 -0.12 0.17 -2.00 0.70 0.00 0.00 175.22 174.07 1e9q s GLU 21 N -0.02 0.12 -0.32 0.44 2.12 -0.52 -0.84 118.70 119.68 1e9q s GLU 21 Ca -0.01 0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 1e9q s GLU 21 Cb -0.10 -0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.14 1e9q s GLU 21 CO 0.01 -0.17 1.14 0.00 -0.54 0.00 0.00 175.26 175.70 1e9q s ALA 22 N 1.22 3.45 -0.26 6.30 0.00 -0.45 -1.25 121.76 130.77 1e9q s ALA 22 Ca -0.09 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1e9q s ALA 22 Cb -0.11 -3.71 0.06 0.00 0.00 0.00 0.00 23.12 19.35 1e9q s ALA 22 CO -0.07 -1.60 -0.11 0.15 0.00 0.00 0.00 175.76 174.14 1e9q s LYS 23 N 3.83 2.32 7.62 0.00 -0.14 -0.58 -4.99 119.74 127.79 1e9q s LYS 23 Ca 0.48 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 1e9q s LYS 23 Cb -0.13 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1e9q s LYS 23 CO 0.18 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.64 1e9q n GLY 24 N 4.46 2.76 0.93 -3.33 0.00 -1.26 -2.42 105.19 106.34 1e9q n GLY 24 Ca -0.14 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1e9q n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9q n ASP 25 N 7.94 3.61 -4.15 1.61 8.00 -1.26 -5.00 116.55 127.30 1e9q n ASP 25 Ca 0.00 -2.39 -0.26 0.00 0.71 0.00 0.00 54.79 52.85 1e9q n ASP 25 Cb 0.00 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1e9q n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1e9q s THR 26 N -1.70 0.63 -0.10 -3.53 -1.32 -1.01 -5.06 115.64 103.55 1e9q s THR 26 Ca 0.35 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.86 1e9q s THR 26 Cb 0.23 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.90 1e9q s THR 26 CO 0.16 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.69 1e9q s VAL 27 N -3.18 1.71 -0.21 5.08 1.01 -1.23 -1.53 120.40 122.05 1e9q s VAL 27 Ca 0.22 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1e9q s VAL 27 Cb 0.02 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1e9q s VAL 27 CO 0.14 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 1e9q s VAL 28 N 0.64 4.82 -0.20 2.92 1.01 -0.38 -2.08 120.40 127.13 1e9q s VAL 28 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1e9q s VAL 28 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1e9q s VAL 28 CO 0.04 0.40 -0.05 -0.69 0.00 0.00 0.00 175.10 174.79 1e9q s VAL 29 N 0.85 3.38 0.13 2.92 1.01 0.52 -1.43 120.40 127.79 1e9q s VAL 29 Ca 0.05 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1e9q s VAL 29 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1e9q s VAL 29 CO 0.03 0.44 -0.01 0.42 0.00 0.00 0.00 175.10 175.97 1e9q s THR 30 N 1.22 0.56 -5.00 3.92 -4.23 -0.60 -0.98 115.64 110.53 1e9q s THR 30 Ca 0.03 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1e9q s THR 30 Cb -0.14 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1e9q s THR 30 CO -0.01 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1e9q n GLY 31 N -0.13 0.42 3.32 3.99 0.00 -1.04 -0.23 105.19 111.52 1e9q n GLY 31 Ca -0.09 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 1e9q n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9q s SER 32 N -4.00 -0.30 -0.05 1.61 1.04 -1.10 -0.41 113.70 110.49 1e9q s SER 32 Ca 0.00 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1e9q s SER 32 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1e9q s SER 32 CO 0.00 -0.61 -0.11 -0.63 0.98 0.00 0.00 173.24 172.87 1e9q s ILE 33 N -2.11 1.02 0.42 -1.02 1.01 -0.08 -2.03 121.20 118.40 1e9q s ILE 33 Ca -0.08 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1e9q s ILE 33 Cb -0.02 -0.93 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 1e9q s ILE 33 CO 0.00 0.32 0.08 0.42 0.00 0.00 0.00 174.94 175.77 1e9q s THR 34 N 0.59 2.07 0.00 2.92 -4.23 0.38 -0.26 115.64 117.11 1e9q s THR 34 Ca -0.12 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1e9q s THR 34 Cb -0.14 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1e9q s THR 34 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1e9q n GLY 35 N -1.10 0.60 3.91 3.99 0.00 -1.10 -2.15 105.19 109.33 1e9q n GLY 35 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1e9q n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9q s LEU 36 N 0.00 3.65 0.36 0.99 1.43 -0.77 -4.30 118.68 120.04 1e9q s LEU 36 Ca 0.00 0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 1e9q s LEU 36 Cb 0.00 -3.87 -0.10 0.00 0.03 0.00 0.00 46.19 42.25 1e9q s LEU 36 CO 0.00 -0.56 0.98 0.42 0.23 0.00 0.00 176.35 177.42 1e9q s THR 37 N -2.71 4.06 0.39 5.49 -4.23 -1.26 -3.98 115.64 113.40 1e9q s THR 37 Ca 0.47 1.63 -0.25 0.00 -1.18 0.00 0.00 61.69 62.36 1e9q s THR 37 Cb -0.10 -3.87 -0.11 0.00 1.34 0.00 0.00 72.50 69.76 1e9q s THR 37 CO 0.44 0.06 0.99 1.21 -0.54 0.00 0.00 174.62 176.77 1e9q n GLU 38 N 0.26 1.32 0.00 3.99 2.13 -1.26 -4.64 120.64 122.45 1e9q n GLU 38 Ca 0.03 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1e9q n GLU 38 Cb 0.50 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1e9q n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e9q n GLY 39 N 1.22 -0.20 3.82 8.31 0.00 -0.88 -4.90 105.19 112.56 1e9q n GLY 39 Ca 0.09 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1e9q n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9q s ASP 40 N -2.42 6.96 -0.01 1.61 1.01 -1.26 -0.21 116.67 122.35 1e9q s ASP 40 Ca 0.00 1.44 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1e9q s ASP 40 Cb 0.00 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.52 1e9q s ASP 40 CO 0.00 -0.11 0.01 -1.00 0.21 0.00 0.00 175.17 174.28 1e9q s HIS 41 N -1.78 0.12 0.44 4.23 3.76 0.04 -3.09 115.29 119.01 1e9q s HIS 41 Ca 0.50 0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 55.20 1e9q s HIS 41 Cb -0.14 -0.20 -0.08 0.00 1.11 0.00 0.00 32.58 33.27 1e9q s HIS 41 CO 0.19 -0.06 1.35 0.20 -0.85 0.00 0.00 174.74 175.57 1e9q s GLY 42 N 0.61 2.91 -0.25 -2.22 0.00 -0.28 -1.58 107.32 106.52 1e9q s GLY 42 Ca -0.05 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.95 1e9q s GLY 42 CO -0.02 1.90 0.16 -0.12 0.00 0.00 0.00 173.10 175.03 1e9q s PHE 43 N -1.26 0.06 0.13 1.90 5.36 -0.36 -0.79 117.98 123.03 1e9q s PHE 43 Ca 0.60 -0.48 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1e9q s PHE 43 Cb -0.40 -0.70 -0.04 0.00 -0.34 0.00 0.00 43.02 41.54 1e9q s PHE 43 CO 0.51 -0.75 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.41 1e9q s HIS 44 N 2.19 1.21 -0.29 10.12 3.76 -0.77 -2.61 115.29 128.90 1e9q s HIS 44 Ca 0.07 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 54.12 1e9q s HIS 44 Cb -0.16 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1e9q s HIS 44 CO -0.27 0.06 0.42 0.08 -0.85 0.00 0.00 174.74 174.18 1e9q s VAL 45 N -2.92 5.12 0.23 -0.90 1.01 0.12 -0.97 120.40 122.10 1e9q s VAL 45 Ca 0.12 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 1e9q s VAL 45 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1e9q s VAL 45 CO 0.01 0.05 0.44 -1.00 0.00 0.00 0.00 175.10 174.59 1e9q s HIS 46 N 2.17 3.48 0.12 5.22 3.76 0.12 -1.25 115.29 128.91 1e9q s HIS 46 Ca 0.17 0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 55.30 1e9q s HIS 46 Cb -0.16 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 1e9q s HIS 46 CO 0.11 0.32 1.70 0.37 -0.85 0.00 0.00 174.74 176.39 1e9q h GLN 47 N 1.83 0.42 -5.88 1.40 4.15 -0.78 -2.46 115.11 113.78 1e9q h GLN 47 Ca -0.48 -0.06 -0.66 0.00 0.77 0.00 0.00 58.65 58.22 1e9q h GLN 47 Cb 1.19 -0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.71 1e9q h GLN 47 CO 0.67 0.39 -0.55 -0.06 -1.93 0.00 0.00 178.83 177.34 1e9q s PHE 48 N -5.76 3.36 -0.53 3.99 0.08 -0.33 -4.64 117.98 114.14 1e9q s PHE 48 Ca -0.13 0.30 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 1e9q s PHE 48 Cb 0.09 -1.81 0.14 0.00 -0.57 0.00 0.00 43.02 40.86 1e9q s PHE 48 CO 0.72 0.59 2.56 0.41 -0.10 0.00 0.00 175.22 179.40 1e9q n GLY 49 N 1.61 4.60 3.25 4.36 0.00 -1.04 -3.78 105.19 114.21 1e9q n GLY 49 Ca -0.16 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 1e9q n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e9q s ASP 50 N 0.00 4.95 -0.28 1.61 -1.08 -1.26 -4.96 116.67 115.64 1e9q s ASP 50 Ca 0.56 -1.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.68 1e9q s ASP 50 Cb 0.39 -1.79 0.50 0.00 -1.46 0.00 0.00 42.92 40.57 1e9q s ASP 50 CO -0.24 -0.23 1.45 0.59 0.52 0.00 0.00 175.17 177.26 1e9q n ASN 51 N 4.75 2.52 0.20 -0.34 4.13 -1.26 -2.96 115.26 122.29 1e9q n ASN 51 Ca -0.14 -3.74 0.06 0.00 1.68 0.00 0.00 54.58 52.44 1e9q n ASN 51 Cb 0.46 -0.63 0.39 0.00 -1.54 0.00 0.00 39.78 38.46 1e9q n ASN 51 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1e9q h THR 52 N 1.04 0.95 -1.71 3.41 1.35 -1.93 -2.81 112.91 113.21 1e9q h THR 52 Ca 0.20 -1.35 -0.63 0.00 -0.55 0.00 0.00 66.41 64.09 1e9q h THR 52 Cb 1.63 1.80 -0.39 0.00 -1.73 0.00 0.00 68.15 69.45 1e9q h THR 52 CO 0.37 0.34 -0.36 0.00 -0.25 0.00 0.00 175.52 175.62 1e9q n GLN 53 N -3.69 3.35 0.00 4.72 6.02 -1.26 -5.05 117.38 121.47 1e9q n GLN 53 Ca -0.01 -4.39 0.00 0.00 -0.01 0.00 0.00 57.00 52.59 1e9q n GLN 53 Cb 0.45 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.45 1e9q n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1e9q n GLY 54 N -0.45 0.86 0.02 1.08 0.00 -1.06 -2.30 105.19 103.34 1e9q n GLY 54 Ca 0.41 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1e9q n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9q h THR 56 N 0.00 1.23 0.00 0.00 2.02 -1.79 -2.73 112.91 111.64 1e9q h THR 56 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1e9q h THR 56 Cb 0.47 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1e9q h THR 56 CO 0.00 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 1e9q n SER 57 N -4.44 0.00 0.16 4.18 3.41 -1.22 -2.70 113.62 113.00 1e9q n SER 57 Ca 0.08 -0.49 0.13 0.00 -0.26 0.00 0.00 58.87 58.34 1e9q n SER 57 Cb 0.06 -0.07 0.53 0.00 -0.26 0.00 0.00 64.21 64.47 1e9q n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9q h ALA 58 N 3.21 1.00 -0.01 7.33 0.00 -1.37 -3.40 119.26 126.01 1e9q h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1e9q h ALA 58 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1e9q h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1e9q n GLY 59 N 0.04 -1.81 1.29 0.00 0.00 -1.10 -1.19 105.19 102.42 1e9q n GLY 59 Ca 0.02 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1e9q n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9q n PRO 60 N -0.01 -0.18 -2.08 1.61 -0.04 -1.26 -4.63 135.00 128.41 1e9q n PRO 60 Ca 0.00 -0.75 -0.39 0.00 -0.04 0.00 0.00 63.50 62.31 1e9q n PRO 60 Cb 0.00 -0.38 -0.01 0.00 -0.04 0.00 0.00 33.50 33.07 1e9q n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1e9q s HIS 61 N -1.63 2.86 0.10 0.54 3.76 -1.26 -0.69 115.29 118.96 1e9q s HIS 61 Ca 0.24 1.42 -0.31 0.00 -0.15 0.00 0.00 55.06 56.27 1e9q s HIS 61 Cb -0.01 -3.65 -0.10 0.00 1.11 0.00 0.00 32.58 29.93 1e9q s HIS 61 CO 0.17 -2.01 1.83 0.12 -0.85 0.00 0.00 174.74 174.00 1e9q s PHE 62 N -1.26 2.01 -0.43 1.40 5.36 -0.38 -4.52 117.98 120.15 1e9q s PHE 62 Ca 0.56 -0.07 0.08 0.00 -0.96 0.00 0.00 56.93 56.54 1e9q s PHE 62 Cb -0.38 -4.16 0.29 0.00 -0.34 0.00 0.00 43.02 38.43 1e9q s PHE 62 CO 0.48 -4.88 0.83 -1.71 -1.46 0.00 0.00 175.22 168.49 1e9q n ASN 63 N 6.05 -1.11 0.29 6.13 5.15 -1.26 -1.94 115.26 128.56 1e9q n ASN 63 Ca 0.18 -3.20 0.16 0.00 -0.60 0.00 0.00 54.58 51.12 1e9q n ASN 63 Cb 0.39 0.68 0.85 0.00 -0.53 0.00 0.00 39.78 41.18 1e9q n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1e9q h PRO 64 N 3.48 0.00 -0.52 1.20 0.13 -1.95 -2.12 132.00 132.21 1e9q h PRO 64 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1e9q h PRO 64 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1e9q h PRO 64 CO 0.35 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1e9q n LEU 65 N -3.45 3.09 -3.81 1.56 4.77 -1.26 -4.98 117.00 112.92 1e9q n LEU 65 Ca -0.02 -1.48 -0.30 0.00 -0.03 0.00 0.00 56.01 54.17 1e9q n LEU 65 Cb 0.20 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1e9q n LEU 65 CO 0.27 0.74 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.73 1e9q n SER 66 N 1.20 -3.32 -4.87 -1.43 7.64 -0.80 -5.01 113.62 107.04 1e9q n SER 66 Ca 0.19 -1.03 -0.24 0.00 1.01 0.00 0.00 58.87 58.80 1e9q n SER 66 Cb 0.51 -3.14 -0.02 0.00 -1.01 0.00 0.00 64.21 60.54 1e9q n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9q s LYS 67 N -6.31 2.33 0.54 1.43 1.02 -1.26 -5.13 119.74 112.36 1e9q s LYS 67 Ca 0.30 -1.85 -0.05 0.00 0.02 0.00 0.00 55.97 54.38 1e9q s LYS 67 Cb -0.11 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1e9q s LYS 67 CO 0.88 -0.42 0.84 0.15 -0.92 0.00 0.00 175.35 175.89 1e9q s LYS 68 N -4.18 3.21 0.52 1.68 1.02 -1.26 -4.74 119.74 115.99 1e9q s LYS 68 Ca 0.40 0.07 -0.21 0.00 0.02 0.00 0.00 55.97 56.25 1e9q s LYS 68 Cb -0.01 -2.33 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 1e9q s LYS 68 CO 0.24 -0.46 1.20 -1.58 -0.92 0.00 0.00 175.35 173.82 1e9q s HIS 69 N -2.87 2.62 0.00 3.18 5.65 -0.33 -3.25 115.29 120.29 1e9q s HIS 69 Ca 0.51 1.51 0.00 0.00 0.25 0.00 0.00 55.06 57.32 1e9q s HIS 69 Cb -0.10 -3.45 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 1e9q s HIS 69 CO 0.45 -1.92 0.00 0.41 -0.65 0.00 0.00 174.74 173.03 1e9q n GLY 70 N 0.45 2.52 3.96 1.59 0.00 -1.25 -4.25 105.19 108.22 1e9q n GLY 70 Ca 0.10 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1e9q n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e9q s GLY 71 N -0.81 1.63 0.58 -0.02 0.00 -1.22 -4.60 107.32 102.88 1e9q s GLY 71 Ca 0.00 -1.15 0.28 0.00 0.00 0.00 0.00 44.72 43.85 1e9q s GLY 71 CO 0.00 -0.97 2.01 -0.56 0.00 0.00 0.00 173.10 173.58 1e9q h PRO 72 N 0.38 0.00 -0.16 2.90 0.13 -1.88 -2.10 132.00 131.27 1e9q h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1e9q h PRO 72 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1e9q h PRO 72 CO 0.56 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.96 1e9q n LYS 73 N -3.81 2.12 -2.99 0.86 5.02 -1.26 -4.95 118.16 113.15 1e9q n LYS 73 Ca 0.05 -1.65 -0.29 0.00 -2.02 0.00 0.00 58.31 54.39 1e9q n LYS 73 Cb 0.48 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1e9q n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e9q s ASP 74 N -1.75 6.45 0.02 4.39 1.01 -0.79 -4.99 116.67 121.00 1e9q s ASP 74 Ca 0.34 0.95 -0.21 0.00 0.71 0.00 0.00 52.55 54.34 1e9q s ASP 74 Cb 0.20 -2.24 -0.18 0.00 1.01 0.00 0.00 42.92 41.71 1e9q s ASP 74 CO 0.30 -0.36 1.24 -0.78 0.21 0.00 0.00 175.17 175.78 1e9q h ASP 75 N 1.21 0.40 -2.65 0.27 1.82 -1.92 -3.38 116.42 112.16 1e9q h ASP 75 Ca -0.47 -0.59 -0.66 0.00 -0.39 0.00 0.00 57.03 54.91 1e9q h ASP 75 Cb 1.19 -0.12 -0.17 0.00 0.68 0.00 0.00 39.33 40.92 1e9q h ASP 75 CO 0.64 0.92 0.53 -0.70 -1.61 0.00 0.00 179.24 179.03 1e9q s GLU 76 N -3.85 3.24 0.19 0.28 2.56 -1.26 -4.96 118.70 114.89 1e9q s GLU 76 Ca -0.14 -1.20 -0.15 0.00 0.00 0.00 0.00 54.97 53.47 1e9q s GLU 76 Cb 0.04 -4.43 0.02 0.00 2.00 0.00 0.00 34.13 31.76 1e9q s GLU 76 CO 0.77 -1.75 0.46 -0.98 -0.56 0.00 0.00 175.26 173.21 1e9q s ARG 77 N 3.37 1.32 0.59 4.30 1.70 -1.22 -3.79 118.95 125.22 1e9q s ARG 77 Ca 0.23 -0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 54.41 1e9q s ARG 77 Cb -0.15 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1e9q s ARG 77 CO 0.04 -0.54 1.04 -1.01 -1.08 0.00 0.00 175.30 173.74 1e9q s HIS 78 N -3.89 3.17 0.38 5.89 3.76 -1.20 -4.71 115.29 118.69 1e9q s HIS 78 Ca 0.11 1.47 0.05 0.00 -0.15 0.00 0.00 55.06 56.54 1e9q s HIS 78 Cb 0.00 -2.91 0.77 0.00 1.11 0.00 0.00 32.58 31.55 1e9q s HIS 78 CO -0.03 -0.92 2.03 0.28 -0.85 0.00 0.00 174.74 175.25 1e9q h VAL 79 N 0.30 1.11 -0.00 -0.90 2.07 -1.88 -1.79 116.25 115.15 1e9q h VAL 79 Ca -0.46 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1e9q h VAL 79 Cb 1.21 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1e9q h VAL 79 CO 0.59 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1e9q n GLY 80 N -1.46 -0.98 3.56 2.17 0.00 -0.82 -4.54 105.19 103.11 1e9q n GLY 80 Ca 0.05 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1e9q n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9q s ASP 81 N -1.69 6.13 -0.20 1.61 1.01 -0.67 -0.70 116.67 122.16 1e9q s ASP 81 Ca 0.33 -0.82 0.15 0.00 0.71 0.00 0.00 52.55 52.92 1e9q s ASP 81 Cb 0.15 -2.56 0.76 0.00 1.01 0.00 0.00 42.92 42.28 1e9q s ASP 81 CO 0.25 -1.84 1.68 0.18 0.21 0.00 0.00 175.17 175.66 1e9q n LEU 82 N 9.91 5.28 0.00 1.23 4.77 -1.07 -3.67 117.00 133.45 1e9q n LEU 82 Ca 0.21 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1e9q n LEU 82 Cb 0.50 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1e9q n LEU 82 CO 0.68 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1e9q n GLY 83 N 0.59 1.07 3.32 -0.72 0.00 -1.23 -4.80 105.19 103.41 1e9q n GLY 83 Ca 0.26 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1e9q n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1e9q s ASN 84 N -4.00 2.77 0.10 1.61 0.01 -1.26 -1.22 114.94 112.95 1e9q s ASN 84 Ca 0.00 -0.72 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1e9q s ASN 84 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1e9q s ASN 84 CO 0.00 0.09 0.10 0.68 -1.51 0.00 0.00 177.10 176.46 1e9q s VAL 85 N -1.20 4.56 -0.15 1.60 -7.23 -0.61 -4.91 120.40 112.46 1e9q s VAL 85 Ca 0.09 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 1e9q s VAL 85 Cb -0.10 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.62 1e9q s VAL 85 CO 0.05 0.06 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.82 1e9q s THR 86 N -1.49 1.92 0.07 5.32 2.01 -1.26 -0.78 115.64 121.44 1e9q s THR 86 Ca 0.30 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1e9q s THR 86 Cb -0.12 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1e9q s THR 86 CO 0.23 0.52 0.48 0.00 -0.69 0.00 0.00 174.62 175.16 1e9q s ALA 87 N 1.13 3.65 0.90 7.40 0.00 0.71 -4.31 121.76 131.23 1e9q s ALA 87 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1e9q s ALA 87 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1e9q s ALA 87 CO -0.08 0.47 0.00 -0.40 0.00 0.00 0.00 175.76 175.76 1e9q n ASP 88 N 1.31 0.00 0.28 0.00 5.68 -0.01 -2.07 116.55 121.73 1e9q n ASP 88 Ca -0.09 -0.80 0.16 0.00 -0.50 0.00 0.00 54.79 53.55 1e9q n ASP 88 Cb 0.52 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.28 1e9q n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1e9q h LYS 89 N 0.00 0.00 -0.07 0.11 5.09 -1.97 -0.86 116.57 118.87 1e9q h LYS 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1e9q h LYS 89 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1e9q h LYS 89 CO 0.00 0.07 0.00 0.09 -2.09 0.00 0.00 179.45 177.52 1e9q n ASN 90 N -3.34 1.19 0.00 7.07 3.02 -1.26 -4.85 115.26 117.09 1e9q n ASN 90 Ca -0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1e9q n ASN 90 Cb 0.25 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1e9q n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e9q n GLY 91 N 1.09 0.48 3.68 7.41 0.00 -0.33 -4.73 105.19 112.78 1e9q n GLY 91 Ca 0.18 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1e9q n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9q s VAL 92 N -2.00 4.89 -0.13 1.61 1.01 -1.26 -1.85 120.40 122.67 1e9q s VAL 92 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1e9q s VAL 92 Cb 0.00 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1e9q s VAL 92 CO 0.00 0.49 -0.21 0.00 0.00 0.00 0.00 175.10 175.38 1e9q s ALA 93 N 0.07 2.28 -0.17 5.51 0.00 0.64 -0.83 121.76 129.27 1e9q s ALA 93 Ca 0.06 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1e9q s ALA 93 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1e9q s ALA 93 CO 0.01 0.04 0.40 0.42 0.00 0.00 0.00 175.76 176.63 1e9q s ILE 94 N 0.70 5.22 -0.20 0.00 -1.09 -1.26 -0.90 121.20 123.67 1e9q s ILE 94 Ca -0.09 0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 58.96 1e9q s ILE 94 Cb -0.16 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1e9q s ILE 94 CO 0.01 0.30 0.24 -0.69 -1.23 0.00 0.00 174.94 173.57 1e9q s VAL 95 N 0.91 5.32 -0.41 2.92 1.01 0.45 -4.78 120.40 125.84 1e9q s VAL 95 Ca 0.21 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1e9q s VAL 95 Cb -0.14 -3.58 0.17 0.00 0.00 0.00 0.00 36.38 32.83 1e9q s VAL 95 CO 0.08 0.36 0.52 -0.62 0.00 0.00 0.00 175.10 175.44 1e9q s ASP 96 N 0.70 -0.22 0.04 3.32 2.15 -1.24 -2.51 116.67 118.92 1e9q s ASP 96 Ca 0.13 -1.37 0.04 0.00 0.43 0.00 0.00 52.55 51.78 1e9q s ASP 96 Cb -0.13 1.23 -0.02 0.00 -0.30 0.00 0.00 42.92 43.70 1e9q s ASP 96 CO 0.03 -0.19 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.08 1e9q s ILE 97 N 1.44 1.03 -0.09 4.11 1.01 -0.15 -5.00 121.20 123.56 1e9q s ILE 97 Ca 0.19 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1e9q s ILE 97 Cb -0.08 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1e9q s ILE 97 CO -0.05 -0.01 -0.19 -0.69 0.00 0.00 0.00 174.94 173.99 1e9q s VAL 98 N -0.85 1.67 0.00 2.92 1.01 -1.26 -0.36 120.40 123.54 1e9q s VAL 98 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1e9q s VAL 98 Cb -0.08 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1e9q s VAL 98 CO 0.01 0.47 -0.09 -0.62 0.00 0.00 0.00 175.10 174.88 1e9q s ASP 99 N 0.48 1.04 0.12 3.32 2.15 -0.88 -5.02 116.67 117.88 1e9q s ASP 99 Ca -0.17 -0.23 0.22 0.00 0.43 0.00 0.00 52.55 52.80 1e9q s ASP 99 Cb -0.17 -0.09 -0.10 0.00 -0.30 0.00 0.00 42.92 42.25 1e9q s ASP 99 CO 0.07 0.06 0.86 -0.81 -0.17 0.00 0.00 175.17 175.18 1e9q n PRO 100 N 2.61 0.60 -0.03 4.34 -0.04 -1.26 -3.52 135.00 137.70 1e9q n PRO 100 Ca -0.15 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 1e9q n PRO 100 Cb 0.57 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1e9q n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e9q n LEU 101 N -2.49 0.91 -4.84 1.53 7.99 -1.26 -4.97 117.00 113.87 1e9q n LEU 101 Ca -0.01 0.36 -0.31 0.00 -0.01 0.00 0.00 56.01 56.04 1e9q n LEU 101 Cb 0.55 0.12 0.03 0.00 -0.11 0.00 0.00 43.42 44.01 1e9q n LEU 101 CO 0.42 0.43 0.71 0.27 -1.51 0.00 0.00 177.39 177.71 1e9q s ILE 102 N -2.58 4.24 0.28 -0.08 -4.36 -1.26 -4.86 121.20 112.58 1e9q s ILE 102 Ca -0.06 0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 61.07 1e9q s ILE 102 Cb 0.08 -3.55 -0.02 0.00 1.25 0.00 0.00 42.46 40.21 1e9q s ILE 102 CO 0.82 -0.93 0.32 -0.55 0.24 0.00 0.00 174.94 174.85 1e9q s SER 103 N -3.84 0.73 0.00 4.36 0.15 -0.96 -4.69 113.70 109.44 1e9q s SER 103 Ca 0.57 -1.44 0.04 0.00 0.70 0.00 0.00 55.95 55.82 1e9q s SER 103 Cb -0.13 0.54 0.10 0.00 -1.71 0.00 0.00 66.02 64.82 1e9q s SER 103 CO 0.53 -1.08 1.06 0.18 1.20 0.00 0.00 173.24 175.13 1e9q n LEU 104 N -0.46 2.26 -3.52 3.45 4.77 -1.26 -1.72 117.00 120.51 1e9q n LEU 104 Ca 0.03 -1.93 -0.17 0.00 -0.03 0.00 0.00 56.01 53.90 1e9q n LEU 104 Cb 0.63 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1e9q n LEU 104 CO 0.30 0.56 0.47 -0.94 -1.33 0.00 0.00 177.39 176.45 1e9q s SER 105 N -0.96 -0.63 0.00 -1.43 1.04 -1.26 -3.89 113.70 106.57 1e9q s SER 105 Ca 0.08 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1e9q s SER 105 Cb 0.04 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1e9q s SER 105 CO 0.06 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1e9q n GLY 106 N 0.85 -1.81 0.34 7.32 0.00 -1.26 -4.04 105.19 106.59 1e9q n GLY 106 Ca -0.18 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.17 1e9q n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1e9q h GLU 107 N 0.00 0.66 -0.28 1.61 4.81 -2.01 -2.19 114.58 117.18 1e9q h GLU 107 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1e9q h GLU 107 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1e9q h GLU 107 CO 0.00 0.43 0.00 0.66 -0.73 0.00 0.00 179.01 179.37 1e9q n TYR 108 N -4.47 0.36 -1.67 0.92 4.01 -1.26 -4.97 117.16 110.08 1e9q n TYR 108 Ca 0.09 -0.18 -0.45 0.00 -0.16 0.00 0.00 57.90 57.20 1e9q n TYR 108 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1e9q n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9q n SER 109 N 0.75 2.77 -0.82 7.72 2.88 -0.82 -2.27 113.62 123.83 1e9q n SER 109 Ca 0.17 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.93 1e9q n SER 109 Cb 0.42 -1.42 0.15 0.00 -0.75 0.00 0.00 64.21 62.61 1e9q n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1e9q n ILE 110 N 2.05 0.50 -1.87 2.46 -5.35 -0.70 -4.90 119.36 111.55 1e9q n ILE 110 Ca 0.12 -0.75 -0.42 0.00 -0.27 0.00 0.00 62.75 61.43 1e9q n ILE 110 Cb 0.31 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.10 1e9q n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1e9q s ILE 111 N -1.20 2.42 0.00 7.28 -1.09 -1.26 -1.57 121.20 125.78 1e9q s ILE 111 Ca 0.27 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1e9q s ILE 111 Cb 0.16 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1e9q s ILE 111 CO 0.22 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1e9q n GLY 112 N 3.75 0.76 1.07 6.18 0.00 -0.10 -4.99 105.19 111.86 1e9q n GLY 112 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1e9q n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q n ARG 113 N -2.20 1.14 -5.25 1.61 1.74 -0.61 -2.49 116.66 110.60 1e9q n ARG 113 Ca 0.00 -0.93 -0.31 0.00 -0.77 0.00 0.00 57.85 55.83 1e9q n ARG 113 Cb 0.00 0.05 -0.16 0.00 -1.02 0.00 0.00 32.46 31.32 1e9q n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1e9q s THR 114 N -0.51 2.03 -0.08 0.55 2.01 -0.93 -0.90 115.64 117.82 1e9q s THR 114 Ca 0.11 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 1e9q s THR 114 Cb -0.01 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1e9q s THR 114 CO 0.07 0.56 0.40 -0.32 -0.69 0.00 0.00 174.62 174.65 1e9q s MET 115 N -0.14 4.13 -0.03 4.92 1.75 -0.71 0.16 119.30 129.38 1e9q s MET 115 Ca -0.04 0.34 0.05 0.00 -1.25 0.00 0.00 55.69 54.79 1e9q s MET 115 Cb -0.14 -3.34 -0.01 0.00 2.84 0.00 0.00 34.83 34.18 1e9q s MET 115 CO 0.04 0.41 -0.16 0.08 -0.65 0.00 0.00 175.02 174.73 1e9q s VAL 116 N -0.14 1.32 -0.12 10.11 1.01 -0.15 -2.07 120.40 130.36 1e9q s VAL 116 Ca 0.23 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1e9q s VAL 116 Cb -0.15 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1e9q s VAL 116 CO 0.10 0.38 -0.09 0.54 0.00 0.00 0.00 175.10 176.03 1e9q s VAL 117 N -0.16 3.45 0.35 2.92 0.11 -0.82 -1.84 120.40 124.41 1e9q s VAL 117 Ca 0.01 -0.53 0.07 0.00 -2.93 0.00 0.00 61.98 58.60 1e9q s VAL 117 Cb -0.09 -2.46 -0.01 0.00 -1.53 0.00 0.00 36.38 32.29 1e9q s VAL 117 CO 0.01 0.53 0.40 -1.00 -3.33 0.00 0.00 175.10 171.71 1e9q s HIS 118 N 0.11 2.95 0.11 1.54 3.76 0.03 -1.17 115.29 122.62 1e9q s HIS 118 Ca -0.04 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.42 1e9q s HIS 118 Cb -0.14 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 1e9q s HIS 118 CO 0.04 0.00 1.53 1.49 -0.85 0.00 0.00 174.74 176.95 1e9q h GLU 119 N 1.01 0.67 -5.68 1.40 4.81 -0.91 -3.37 114.58 112.52 1e9q h GLU 119 Ca -0.44 -0.24 -0.61 0.00 -0.13 0.00 0.00 59.36 57.93 1e9q h GLU 119 Cb 1.26 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 1e9q h GLU 119 CO 0.54 0.81 -0.54 0.15 -0.73 0.00 0.00 179.01 179.25 1e9q s LYS 120 N -4.86 2.10 0.61 1.92 1.02 0.03 -4.88 119.74 115.67 1e9q s LYS 120 Ca -0.13 -2.07 -0.19 0.00 0.02 0.00 0.00 55.97 53.61 1e9q s LYS 120 Cb 0.09 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1e9q s LYS 120 CO 0.79 -0.15 1.24 -2.14 -0.92 0.00 0.00 175.35 174.18 1e9q s PRO 121 N -3.83 2.82 -0.13 -1.68 0.02 -1.18 -1.12 135.00 129.91 1e9q s PRO 121 Ca 0.32 1.92 -0.19 0.00 0.02 0.00 0.00 61.00 63.07 1e9q s PRO 121 Cb 0.06 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1e9q s PRO 121 CO 0.17 -1.35 0.53 0.34 -0.33 0.00 0.00 177.00 176.37 1e9q s ASP 122 N -1.51 6.71 0.00 2.53 -1.08 -1.26 -4.04 116.67 118.02 1e9q s ASP 122 Ca 0.79 0.85 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 1e9q s ASP 122 Cb -0.33 -2.31 0.97 0.00 -1.46 0.00 0.00 42.92 39.79 1e9q s ASP 122 CO 0.35 -0.08 1.65 -0.90 0.52 0.00 0.00 175.17 176.72 1e9q n ASP 123 N 4.01 0.67 -1.88 -0.34 5.68 0.06 -4.89 116.55 119.86 1e9q n ASP 123 Ca -0.05 -1.53 -0.17 0.00 -0.50 0.00 0.00 54.79 52.54 1e9q n ASP 123 Cb 0.51 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1e9q n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1e9q n LEU 124 N -0.34 -1.72 -0.13 -2.12 4.32 -1.26 -2.42 117.00 113.33 1e9q n LEU 124 Ca 0.15 0.04 -0.02 0.00 -0.02 0.00 0.00 56.01 56.16 1e9q n LEU 124 Cb 0.17 -2.50 -0.01 0.00 -1.62 0.00 0.00 43.42 39.46 1e9q n LEU 124 CO 0.12 -0.27 -0.02 0.61 -1.22 0.00 0.00 177.39 176.61 1e9q n GLY 125 N -1.00 0.53 0.63 -0.72 0.00 -1.26 -3.45 105.19 99.93 1e9q n GLY 125 Ca -0.20 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1e9q n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q n ARG 126 N -2.60 2.85 0.21 1.61 5.12 -1.01 -4.66 116.66 118.17 1e9q n ARG 126 Ca -0.02 -2.25 0.13 0.00 -1.93 0.00 0.00 57.85 53.79 1e9q n ARG 126 Cb 0.10 -1.42 0.29 0.00 -1.16 0.00 0.00 32.46 30.27 1e9q n ARG 126 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1e9q h GLY 127 N 1.71 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 99.27 1e9q h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1e9q h GLY 127 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1e9q n GLY 128 N 0.95 0.70 3.71 4.60 0.00 -1.26 -5.03 105.19 108.85 1e9q n GLY 128 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1e9q n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q s ASN 129 N -2.98 4.16 0.23 1.61 2.20 -1.26 -5.04 114.94 113.86 1e9q s ASN 129 Ca 0.00 -1.32 -0.06 0.00 -0.94 0.00 0.00 52.86 50.54 1e9q s ASN 129 Cb 0.00 -0.18 0.22 0.00 -2.00 0.00 0.00 41.25 39.29 1e9q s ASN 129 CO 0.00 -0.61 1.79 -0.08 -2.94 0.00 0.00 177.10 175.26 1e9q h GLU 130 N 1.50 1.10 -0.82 3.55 4.81 -2.01 -2.91 114.58 119.79 1e9q h GLU 130 Ca -0.43 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 58.67 1e9q h GLU 130 Cb 1.26 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1e9q h GLU 130 CO 0.74 0.91 0.54 1.49 -0.73 0.00 0.00 179.01 181.96 1e9q h GLU 131 N 1.06 0.83 -0.81 1.92 4.57 -2.00 -0.70 114.58 119.45 1e9q h GLU 131 Ca 0.24 -0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.49 1e9q h GLU 131 Cb 0.25 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 1e9q h GLU 131 CO -0.01 0.55 0.53 1.03 -1.18 0.00 0.00 179.01 179.92 1e9q h SER 132 N 0.85 0.59 0.26 1.04 0.87 -1.85 0.58 113.55 115.90 1e9q h SER 132 Ca 0.37 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1e9q h SER 132 Cb 0.31 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1e9q h SER 132 CO -0.14 0.33 0.00 0.35 -0.53 0.00 0.00 176.83 176.84 1e9q n THR 133 N -4.52 0.01 -0.06 2.23 -2.24 -0.27 -1.86 114.28 107.57 1e9q n THR 133 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1e9q n THR 133 Cb 0.42 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1e9q n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1e9q n SER 134 N -1.13 0.80 0.00 3.42 7.64 -0.24 -1.19 113.62 122.92 1e9q n SER 134 Ca 0.19 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1e9q n SER 134 Cb 0.17 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1e9q n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9q n THR 135 N -3.51 0.18 -1.00 0.44 -2.24 0.03 -4.66 114.28 103.53 1e9q n THR 135 Ca -0.22 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1e9q n THR 135 Cb 0.65 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1e9q n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e9q n GLY 136 N -0.09 0.23 2.45 3.38 0.00 -0.78 -2.71 105.19 107.68 1e9q n GLY 136 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1e9q n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e9q n ASN 137 N -0.54 -5.35 0.10 1.61 3.02 -1.26 -0.76 115.26 112.08 1e9q n ASN 137 Ca 0.00 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.61 1e9q n ASN 137 Cb 0.27 -4.37 0.45 0.00 -0.61 0.00 0.00 39.78 35.51 1e9q n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e9q n ALA 138 N -2.17 2.07 -0.17 5.41 0.00 -1.10 -4.72 120.51 119.83 1e9q n ALA 138 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1e9q n ALA 138 Cb 0.65 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1e9q n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9q n GLY 139 N 0.87 -0.55 3.68 0.00 0.00 -1.26 -0.79 105.19 107.14 1e9q n GLY 139 Ca 0.05 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1e9q n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9q s SER 140 N -4.00 3.12 -0.48 1.61 1.04 -1.26 -4.62 113.70 109.11 1e9q s SER 140 Ca 0.00 1.96 -0.17 0.00 0.48 0.00 0.00 55.95 58.23 1e9q s SER 140 Cb 0.00 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.69 1e9q s SER 140 CO 0.00 -2.94 0.47 -0.13 0.98 0.00 0.00 173.24 171.62 1e9q s ARG 141 N -4.72 3.03 0.15 4.02 0.52 -1.26 -0.77 118.95 119.92 1e9q s ARG 141 Ca 0.65 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1e9q s ARG 141 Cb -0.21 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 1e9q s ARG 141 CO 0.58 -1.07 1.35 -0.07 0.02 0.00 0.00 175.30 176.12 1e9q h LEU 142 N 9.08 0.33 -7.11 2.53 3.38 -1.44 -3.47 115.31 118.60 1e9q h LEU 142 Ca -0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1e9q h LEU 142 Cb 1.11 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 1e9q h LEU 142 CO 0.89 1.07 0.12 0.00 0.09 0.00 0.00 178.44 180.62 1e9q s ALA 143 N -3.21 -1.45 0.21 1.53 0.00 -1.20 -4.24 121.76 113.40 1e9q s ALA 143 Ca -0.04 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 1e9q s ALA 143 Cb 0.10 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1e9q s ALA 143 CO 0.84 -0.62 0.77 0.00 0.00 0.00 0.00 175.76 176.76 1e9q s GLY 145 N -2.87 -0.50 0.19 0.00 0.00 -0.88 -1.70 107.32 101.57 1e9q s GLY 145 Ca 0.09 0.42 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 1e9q s GLY 145 CO 0.02 0.14 0.76 0.14 0.00 0.00 0.00 173.10 174.16 1e9q s VAL 146 N -3.67 4.44 -0.24 1.40 1.01 -1.26 -1.73 120.40 120.34 1e9q s VAL 146 Ca 0.04 1.55 -0.24 0.00 0.00 0.00 0.00 61.98 63.33 1e9q s VAL 146 Cb -0.02 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1e9q s VAL 146 CO -0.09 0.39 0.80 -0.63 0.00 0.00 0.00 175.10 175.57 1e9q s ILE 147 N -1.31 4.86 0.37 2.22 1.01 -0.07 -4.53 121.20 123.75 1e9q s ILE 147 Ca 0.39 1.51 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1e9q s ILE 147 Cb -0.20 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1e9q s ILE 147 CO 0.24 -0.05 0.00 -0.83 0.00 0.00 0.00 174.94 174.31 1e9q s GLY 148 N 1.33 2.26 0.21 6.18 0.00 0.08 -0.92 107.32 116.47 1e9q s GLY 148 Ca 0.34 -2.12 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 1e9q s GLY 148 CO 0.08 -2.00 1.24 -0.42 0.00 0.00 0.00 173.10 172.00 1e9q s ILE 149 N -2.61 3.35 0.32 0.90 1.01 -1.26 -0.92 121.20 122.00 1e9q s ILE 149 Ca 0.35 1.17 0.10 0.00 0.00 0.00 0.00 60.65 62.27 1e9q s ILE 149 Cb 0.04 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 1e9q s ILE 149 CO 0.19 0.20 -0.11 0.00 0.00 0.00 0.00 174.94 175.22 1e9q s ALA 150 N -0.20 2.94 -2.18 9.38 0.00 -0.54 -4.78 121.76 126.39 1e9q s ALA 150 Ca 0.53 -2.00 0.31 0.00 0.00 0.00 0.00 51.96 50.80 1e9q s ALA 150 Cb -0.35 -0.18 1.60 0.00 0.00 0.00 0.00 23.12 24.19 1e9q s ALA 150 CO 0.39 0.14 2.05 1.17 0.00 0.00 0.00 175.76 179.51