#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5m s HIS 2 N 0.00 3.20 0.14 1.61 0.00 -1.26 -4.77 115.29 114.21 2g5m s HIS 2 Ca 0.00 -0.10 -0.28 0.00 -3.00 0.00 0.00 55.06 51.68 2g5m s HIS 2 Cb 0.00 -1.51 -0.07 0.00 -4.00 0.00 0.00 32.58 27.00 2g5m s HIS 2 CO 0.00 0.45 0.88 -1.64 -1.00 0.00 0.00 174.74 173.43 2g5m s MET 3 N -3.91 4.67 -0.70 -0.38 1.00 -1.26 -4.41 119.30 114.31 2g5m s MET 3 Ca 0.34 1.32 -0.20 0.00 0.00 0.00 0.00 55.69 57.15 2g5m s MET 3 Cb -0.08 -3.33 0.10 0.00 0.00 0.00 0.00 34.83 31.52 2g5m s MET 3 CO 0.27 0.38 0.91 -1.21 0.00 0.00 0.00 175.02 175.36 2g5m s GLU 4 N -0.53 3.20 -0.85 2.03 2.02 -0.87 -4.85 118.70 118.85 2g5m s GLU 4 Ca 0.41 -1.22 -0.21 0.00 0.02 0.00 0.00 54.97 53.98 2g5m s GLU 4 Cb -0.23 -4.38 0.09 0.00 0.10 0.00 0.00 34.13 29.71 2g5m s GLU 4 CO 0.28 -1.71 1.14 -0.51 0.02 0.00 0.00 175.26 174.49 2g5m s LEU 5 N 3.25 4.47 0.01 1.80 2.01 -1.25 -1.13 118.68 127.84 2g5m s LEU 5 Ca 0.21 -1.53 0.05 0.00 0.01 0.00 0.00 54.13 52.87 2g5m s LEU 5 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.56 2g5m s LEU 5 CO 0.05 -1.30 -0.15 0.72 1.01 0.00 0.00 176.35 176.68 2g5m s PHE 6 N 3.68 2.66 0.12 0.29 -0.12 0.24 -4.89 117.98 119.96 2g5m s PHE 6 Ca 0.32 -0.19 -0.30 0.00 -0.05 0.00 0.00 56.93 56.71 2g5m s PHE 6 Cb -0.08 -1.54 -0.07 0.00 -0.63 0.00 0.00 43.02 40.71 2g5m s PHE 6 CO -0.02 0.26 1.17 -1.25 -0.05 0.00 0.00 175.22 175.32 2g5m s PRO 7 N -1.24 4.49 -0.12 1.99 0.04 -1.26 -0.48 135.00 138.42 2g5m s PRO 7 Ca 0.14 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2g5m s PRO 7 Cb -0.11 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.15 2g5m s PRO 7 CO 0.04 -0.12 -0.15 0.08 0.04 0.00 0.00 177.00 176.89 2g5m s VAL 8 N 0.42 1.56 -0.19 -0.36 1.01 0.82 -4.93 120.40 118.72 2g5m s VAL 8 Ca 0.55 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2g5m s VAL 8 Cb -0.30 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2g5m s VAL 8 CO 0.33 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 175.13 2g5m s GLU 9 N 1.12 3.46 0.50 2.72 2.12 -1.26 0.11 118.70 127.47 2g5m s GLU 9 Ca -0.03 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.72 2g5m s GLU 9 Cb -0.14 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2g5m s GLU 9 CO -0.04 -0.04 0.10 -0.51 -0.54 0.00 0.00 175.26 174.22 2g5m s LEU 10 N 1.08 2.49 0.22 2.70 1.43 -0.82 -4.89 118.68 120.89 2g5m s LEU 10 Ca 0.01 -1.50 -0.17 0.00 -1.03 0.00 0.00 54.13 51.44 2g5m s LEU 10 Cb -0.15 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2g5m s LEU 10 CO -0.00 -0.84 0.53 -0.70 0.23 0.00 0.00 176.35 175.57 2g5m s GLU 11 N -3.95 1.47 0.28 1.70 2.12 -1.26 -3.10 118.70 115.96 2g5m s GLU 11 Ca 0.17 -0.97 0.10 0.00 0.36 0.00 0.00 54.97 54.63 2g5m s GLU 11 Cb 0.02 0.52 -0.05 0.00 0.26 0.00 0.00 34.13 34.88 2g5m s GLU 11 CO 0.10 -0.63 -0.08 0.15 -0.54 0.00 0.00 175.26 174.26 2g5m s LYS 12 N -3.91 2.03 0.00 4.30 1.02 -1.21 -4.75 119.74 117.21 2g5m s LYS 12 Ca 0.12 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2g5m s LYS 12 Cb -0.01 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2g5m s LYS 12 CO 0.01 0.32 0.00 -0.25 -0.92 0.00 0.00 175.35 174.51 2g5m n ASP 13 N -0.80 0.00 0.20 2.83 8.00 -1.26 -4.95 116.55 120.57 2g5m n ASP 13 Ca -0.06 -0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.48 2g5m n ASP 13 Cb 0.60 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 42.10 2g5m n ASP 13 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2g5m h SER 14 N 0.00 0.00 0.12 -2.24 0.02 -2.01 -3.28 113.55 106.16 2g5m h SER 14 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2g5m h SER 14 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2g5m h SER 14 CO 0.00 0.34 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.89 2g5m h GLU 15 N 0.00 -0.15 0.00 3.45 4.57 -1.99 -3.50 114.58 116.96 2g5m h GLU 15 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2g5m h GLU 15 Cb 0.74 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2g5m h GLU 15 CO 0.04 -0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 2g5m n GLY 16 N 1.21 0.76 0.60 1.92 0.00 -1.24 -5.10 105.19 103.34 2g5m n GLY 16 Ca -0.02 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.44 2g5m n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g5m n LEU 17 N 0.00 -0.34 -2.84 0.99 4.32 -1.26 -4.99 117.00 112.88 2g5m n LEU 17 Ca 0.00 0.78 0.01 0.00 -0.02 0.00 0.00 56.01 56.78 2g5m n LEU 17 Cb 0.00 -1.89 0.01 0.00 -1.62 0.00 0.00 43.42 39.91 2g5m n LEU 17 CO 0.00 -1.35 0.39 -0.83 -1.22 0.00 0.00 177.39 174.38 2g5m s GLY 18 N -5.42 -1.52 0.14 -0.72 0.00 -1.26 -4.43 107.32 94.11 2g5m s GLY 18 Ca 0.00 0.99 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 2g5m s GLY 18 CO 0.00 4.18 0.27 0.29 0.00 0.00 0.00 173.10 177.84 2g5m n ILE 19 N 3.71 0.00 -3.70 0.90 -5.35 -1.26 -1.15 119.36 112.50 2g5m n ILE 19 Ca 0.07 -0.43 -0.14 0.00 -0.27 0.00 0.00 62.75 61.98 2g5m n ILE 19 Cb 0.62 0.38 -0.09 0.00 -1.74 0.00 0.00 39.64 38.81 2g5m n ILE 19 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2g5m s SER 20 N -1.78 -0.41 0.31 7.28 0.01 0.52 -4.76 113.70 114.88 2g5m s SER 20 Ca 0.07 0.62 0.10 0.00 1.31 0.00 0.00 55.95 58.05 2g5m s SER 20 Cb -0.02 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.84 2g5m s SER 20 CO 0.05 -0.31 -0.05 0.27 0.41 0.00 0.00 173.24 173.61 2g5m s ILE 21 N -0.46 2.71 -0.02 1.44 -4.36 -1.26 0.35 121.20 119.59 2g5m s ILE 21 Ca -0.06 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.24 2g5m s ILE 21 Cb -0.03 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 41.00 2g5m s ILE 21 CO 0.03 -0.27 0.04 -0.51 0.24 0.00 0.00 174.94 174.46 2g5m s ILE 22 N -2.49 -0.02 -0.53 8.37 1.10 0.92 -4.51 121.20 124.05 2g5m s ILE 22 Ca 0.33 0.07 -0.27 0.00 -0.51 0.00 0.00 60.65 60.27 2g5m s ILE 22 Cb -0.02 -0.07 -0.03 0.00 0.15 0.00 0.00 42.46 42.49 2g5m s ILE 22 CO 0.18 0.03 1.98 -0.83 -2.11 0.00 0.00 174.94 174.19 2g5m s GLY 23 N 0.37 0.16 0.08 1.50 0.00 -1.26 -1.83 107.32 106.34 2g5m s GLY 23 Ca -0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 2g5m s GLY 23 CO -0.01 3.56 0.16 1.06 0.00 0.00 0.00 173.10 177.87 2g5m s MET 24 N 7.06 0.79 0.00 2.90 -1.94 -1.26 -4.96 119.30 121.90 2g5m s MET 24 Ca 0.77 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 2g5m s MET 24 Cb -0.16 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.00 2g5m s MET 24 CO 0.24 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 2g5m n GLY 25 N 0.06 -0.63 3.28 -0.03 0.00 -1.26 -3.04 105.19 103.56 2g5m n GLY 25 Ca -0.15 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2g5m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m s ALA 26 N -1.00 0.73 -1.35 4.61 0.00 -1.26 -5.03 121.76 118.47 2g5m s ALA 26 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 2g5m s ALA 26 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.31 2g5m s ALA 26 CO 0.00 -0.63 2.19 0.41 0.00 0.00 0.00 175.76 177.74 2g5m n GLY 27 N -0.25 4.10 3.58 0.00 0.00 -1.26 -4.74 105.19 106.62 2g5m n GLY 27 Ca -0.01 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 2g5m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m s ALA 28 N 3.48 3.23 0.11 4.61 0.00 -1.26 -4.62 121.76 127.31 2g5m s ALA 28 Ca 0.49 -2.84 0.22 0.00 0.00 0.00 0.00 51.96 49.83 2g5m s ALA 28 Cb 0.14 -4.64 0.77 0.00 0.00 0.00 0.00 23.12 19.39 2g5m s ALA 28 CO -0.05 -3.37 1.76 0.22 0.00 0.00 0.00 175.76 174.32 2g5m h ASP 29 N 7.84 0.00 -0.01 0.00 3.58 -1.96 0.35 116.42 126.22 2g5m h ASP 29 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2g5m h ASP 29 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2g5m h ASP 29 CO 1.45 0.29 0.00 1.15 -2.88 0.00 0.00 179.24 179.25 2g5m n MET 30 N -3.42 1.06 -2.72 0.28 0.00 -1.26 -3.94 117.12 107.12 2g5m n MET 30 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 57.70 57.59 2g5m n MET 30 Cb 0.48 -1.29 0.10 0.00 0.00 0.00 0.00 33.22 32.51 2g5m n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2g5m n GLY 31 N 0.81 1.92 2.42 3.17 0.00 -0.42 -5.01 105.19 108.08 2g5m n GLY 31 Ca 0.14 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2g5m n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g5m n LEU 32 N -1.18 -1.64 -1.93 0.99 7.99 -1.05 -1.55 117.00 118.63 2g5m n LEU 32 Ca -0.09 0.17 -0.19 0.00 -0.01 0.00 0.00 56.01 55.88 2g5m n LEU 32 Cb 0.85 -2.61 -0.03 0.00 -0.11 0.00 0.00 43.42 41.52 2g5m n LEU 32 CO -0.08 -0.49 -0.22 -0.62 -1.51 0.00 0.00 177.39 174.47 2g5m n GLU 33 N -2.64 -1.46 -2.25 3.23 -0.58 0.11 -4.84 120.64 112.21 2g5m n GLU 33 Ca -0.20 1.01 -0.42 0.00 -0.42 0.00 0.00 57.16 57.12 2g5m n GLU 33 Cb 0.64 -5.49 -0.03 0.00 -0.57 0.00 0.00 31.44 26.00 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2g5m s LYS 34 N -4.50 4.31 -0.21 3.49 -2.85 -0.59 -4.80 119.74 114.59 2g5m s LYS 34 Ca 0.00 1.95 -0.10 0.00 -1.00 0.00 0.00 55.97 56.82 2g5m s LYS 34 Cb 0.00 -3.49 -0.05 0.00 -2.06 0.00 0.00 37.83 32.23 2g5m s LYS 34 CO 0.00 -0.51 0.13 -0.51 0.10 0.00 0.00 175.35 174.56 2g5m s LEU 35 N 2.04 4.19 -0.01 2.77 1.43 -1.26 -4.42 118.68 123.42 2g5m s LEU 35 Ca 0.63 0.21 0.21 0.00 -1.03 0.00 0.00 54.13 54.16 2g5m s LEU 35 Cb -0.32 -2.09 -0.25 0.00 0.03 0.00 0.00 46.19 43.56 2g5m s LEU 35 CO 0.27 0.16 0.76 0.61 0.23 0.00 0.00 176.35 178.38 2g5m n GLY 36 N 3.64 -1.01 2.36 -3.19 0.00 -1.24 -2.57 105.19 103.18 2g5m n GLY 36 Ca -0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 2g5m n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2g5m n ILE 37 N -1.79-10.57 -1.64 -0.61 2.08 -1.17 -4.10 119.36 101.56 2g5m n ILE 37 Ca 0.01 2.04 -0.30 0.00 0.56 0.00 0.00 62.75 65.06 2g5m n ILE 37 Cb 0.42 -5.96 0.08 0.00 -0.75 0.00 0.00 39.64 33.43 2g5m n ILE 37 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2g5m s PHE 38 N -0.66 2.95 0.32 1.39 0.40 -0.76 -3.45 117.98 118.17 2g5m s PHE 38 Ca -0.18 1.11 -0.27 0.00 -0.60 0.00 0.00 56.93 56.98 2g5m s PHE 38 Cb 0.01 -3.12 -0.09 0.00 0.51 0.00 0.00 43.02 40.33 2g5m s PHE 38 CO 0.62 -1.63 1.03 0.08 0.70 0.00 0.00 175.22 176.01 2g5m s VAL 39 N -3.22 3.79 -0.26 -0.44 1.01 -0.07 -0.05 120.40 121.16 2g5m s VAL 39 Ca 0.60 1.61 -0.09 0.00 0.00 0.00 0.00 61.98 64.10 2g5m s VAL 39 Cb -0.13 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 2g5m s VAL 39 CO 0.53 0.24 -0.22 1.17 0.00 0.00 0.00 175.10 176.83 2g5m n LYS 40 N 0.76 0.62 -3.71 2.72 4.81 0.15 -4.58 118.16 118.93 2g5m n LYS 40 Ca 0.01 0.26 -0.08 0.00 -0.87 0.00 0.00 58.31 57.63 2g5m n LYS 40 Cb 0.48 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.97 2g5m n LYS 40 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2g5m s THR 41 N -2.50 0.00 -0.32 3.15 -1.32 -0.81 -4.95 115.64 108.89 2g5m s THR 41 Ca -0.36 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2g5m s THR 41 Cb 0.12 -1.68 0.11 0.00 -1.51 0.00 0.00 72.50 69.54 2g5m s THR 41 CO 0.55 0.00 0.15 0.54 -2.21 0.00 0.00 174.62 173.65 2g5m s VAL 42 N -3.76 0.26 0.14 5.08 0.11 -1.26 -0.35 120.40 120.62 2g5m s VAL 42 Ca 0.08 -1.20 -0.34 0.00 -2.93 0.00 0.00 61.98 57.59 2g5m s VAL 42 Cb -0.04 -1.21 -0.14 0.00 -1.53 0.00 0.00 36.38 33.46 2g5m s VAL 42 CO 0.00 -0.78 1.56 0.41 -3.33 0.00 0.00 175.10 172.96 2g5m n THR 43 N 4.81 0.02 0.28 5.04 -1.04 -0.30 -4.83 114.28 118.26 2g5m n THR 43 Ca -0.00 -0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.12 2g5m n THR 43 Cb 0.40 -1.47 0.78 0.00 -1.82 0.00 0.00 70.33 68.22 2g5m n THR 43 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2g5m h GLU 44 N 5.89 0.00 -0.00 -2.82 5.08 -1.98 0.12 114.58 120.87 2g5m h GLU 44 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2g5m h GLU 44 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2g5m h GLU 44 CO 0.88 0.02 -0.02 0.41 -1.00 0.00 0.00 179.01 179.29 2g5m n GLY 45 N -1.34 -1.37 3.94 -3.84 0.00 -1.26 -4.56 105.19 96.76 2g5m n GLY 45 Ca -0.03 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2g5m n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g5m s GLY 46 N -2.79 1.42 0.35 -0.02 0.00 0.43 -4.89 107.32 101.83 2g5m s GLY 46 Ca 0.21 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2g5m s GLY 46 CO 0.50 -0.78 1.93 0.00 0.00 0.00 0.00 173.10 174.76 2g5m h ALA 47 N 0.58 1.47 -0.12 3.20 0.00 -1.82 -1.41 119.26 121.16 2g5m h ALA 47 Ca -0.48 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 2g5m h ALA 47 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2g5m h ALA 47 CO 0.60 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 180.00 2g5m h ALA 48 N 1.57 1.37 0.19 0.00 0.00 -1.85 0.34 119.26 120.86 2g5m h ALA 48 Ca 0.13 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 2g5m h ALA 48 Cb 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.92 2g5m h ALA 48 CO -0.01 0.44 -1.14 1.25 0.00 0.00 0.00 179.25 179.80 2g5m h HIS 49 N 0.19 0.72 -0.53 0.00 6.17 -1.59 0.27 115.15 120.38 2g5m h HIS 49 Ca 0.03 -0.53 -0.05 0.00 0.71 0.00 0.00 60.37 60.53 2g5m h HIS 49 Cb 0.55 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.43 2g5m h HIS 49 CO 0.01 1.44 0.13 0.00 0.71 0.00 0.00 177.93 180.21 2g5m h ARG 50 N -0.15 0.85 0.03 5.26 3.08 -0.96 -3.09 114.38 119.39 2g5m h ARG 50 Ca -0.20 -0.20 -0.18 0.00 0.07 0.00 0.00 59.98 59.46 2g5m h ARG 50 Cb 1.87 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.83 2g5m h ARG 50 CO 0.20 0.81 -0.73 0.22 -1.07 0.00 0.00 179.97 179.39 2g5m h ASP 51 N 0.74 0.60 -1.32 7.04 1.82 -0.44 -3.49 116.42 121.37 2g5m h ASP 51 Ca 0.17 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2g5m h ASP 51 Cb 0.34 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2g5m h ASP 51 CO 0.00 1.31 0.00 0.61 -1.61 0.00 0.00 179.24 179.56 2g5m n GLY 52 N 1.17 0.58 0.54 -0.78 0.00 0.03 -5.06 105.19 101.66 2g5m n GLY 52 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2g5m n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g5m n ARG 53 N -0.66 0.00 -2.20 1.61 5.12 -0.86 -4.94 116.66 114.73 2g5m n ARG 53 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2g5m n ARG 53 Cb 0.29 -0.02 -0.03 0.00 -1.16 0.00 0.00 32.46 31.55 2g5m n ARG 53 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2g5m s ILE 54 N -0.57 3.67 0.17 0.55 1.01 -1.26 -4.97 121.20 119.80 2g5m s ILE 54 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 2g5m s ILE 54 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2g5m s ILE 54 CO 0.00 -0.74 0.36 -1.10 0.00 0.00 0.00 174.94 173.46 2g5m s GLN 55 N 5.55 3.52 0.61 2.79 -1.52 -1.26 -4.71 119.66 124.63 2g5m s GLN 55 Ca 0.67 -0.34 0.30 0.00 -1.95 0.00 0.00 55.36 54.04 2g5m s GLN 55 Cb -0.16 -2.87 1.66 0.00 -0.22 0.00 0.00 33.01 31.42 2g5m s GLN 55 CO 0.30 0.44 2.03 -0.24 -0.25 0.00 0.00 175.29 177.57 2g5m h VAL 56 N 1.67 0.31 -0.20 1.09 3.04 -1.91 -2.38 116.25 117.87 2g5m h VAL 56 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2g5m h VAL 56 Cb 1.18 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2g5m h VAL 56 CO 0.69 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 174.05 2g5m n ASN 57 N -3.53 2.49 -4.33 3.17 4.05 -1.26 -4.11 115.26 111.74 2g5m n ASN 57 Ca 0.02 -1.95 -0.16 0.00 0.45 0.00 0.00 54.58 52.95 2g5m n ASN 57 Cb 0.41 -0.13 0.06 0.00 1.23 0.00 0.00 39.78 41.35 2g5m n ASN 57 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2g5m n ASP 58 N 0.13 1.65 -4.00 1.20 9.92 -0.90 -4.82 116.55 119.73 2g5m n ASP 58 Ca 0.07 -2.21 -0.18 0.00 -0.53 0.00 0.00 54.79 51.94 2g5m n ASP 58 Cb 0.34 -0.35 -0.15 0.00 -0.64 0.00 0.00 41.12 40.32 2g5m n ASP 58 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2g5m s LEU 59 N 0.00 1.97 -0.61 0.64 2.96 -1.25 -0.89 118.68 121.50 2g5m s LEU 59 Ca 0.49 -0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 54.03 2g5m s LEU 59 Cb -0.04 -0.43 0.07 0.00 0.50 0.00 0.00 46.19 46.29 2g5m s LEU 59 CO 0.31 0.09 0.89 -0.76 -1.32 0.00 0.00 176.35 175.56 2g5m s LEU 60 N -0.12 4.52 -0.06 -0.68 1.43 -1.22 -1.67 118.68 120.88 2g5m s LEU 60 Ca 0.02 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 2g5m s LEU 60 Cb -0.04 -2.49 -0.30 0.00 0.03 0.00 0.00 46.19 43.39 2g5m s LEU 60 CO -0.00 -1.30 0.73 0.58 0.23 0.00 0.00 176.35 176.59 2g5m h VAL 61 N 5.96 1.18 -2.51 -1.59 2.07 -1.33 -3.42 116.25 116.62 2g5m h VAL 61 Ca -0.28 -2.49 -0.09 0.00 0.82 0.00 0.00 66.70 64.66 2g5m h VAL 61 Cb 1.08 2.90 -0.19 0.00 -1.52 0.00 0.00 31.29 33.55 2g5m h VAL 61 CO 1.13 0.74 -0.03 -1.83 0.02 0.00 0.00 177.57 177.60 2g5m s GLU 62 N -2.49 0.87 0.58 1.57 -1.05 -1.11 -1.47 118.70 115.61 2g5m s GLU 62 Ca -0.16 0.03 0.04 0.00 -0.15 0.00 0.00 54.97 54.73 2g5m s GLU 62 Cb 0.03 0.40 0.11 0.00 -0.44 0.00 0.00 34.13 34.23 2g5m s GLU 62 CO 0.82 -0.26 0.79 1.55 0.95 0.00 0.00 175.26 179.11 2g5m n VAL 63 N 1.07 0.00 -0.07 1.83 3.14 0.64 -0.48 118.33 124.46 2g5m n VAL 63 Ca -0.20 -1.54 -0.09 0.00 -2.96 0.00 0.00 64.34 59.55 2g5m n VAL 63 Cb 0.57 -0.77 -0.03 0.00 -1.06 0.00 0.00 33.84 32.55 2g5m n VAL 63 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2g5m h ASP 64 N -0.23 -1.08 0.00 6.55 1.82 -1.73 -3.17 116.42 118.59 2g5m h ASP 64 Ca -0.26 0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2g5m h ASP 64 Cb 1.08 0.48 -0.01 0.00 0.68 0.00 0.00 39.33 41.57 2g5m h ASP 64 CO 0.33 -0.34 -0.24 0.61 -1.61 0.00 0.00 179.24 177.99 2g5m n GLY 65 N -1.41 4.76 3.31 -0.78 0.00 -1.26 -4.96 105.19 104.85 2g5m n GLY 65 Ca -0.01 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2g5m n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g5m s THR 66 N -2.86 -0.25 -0.09 2.61 2.01 -1.20 -5.14 115.64 110.72 2g5m s THR 66 Ca 0.33 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 2g5m s THR 66 Cb 0.31 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 2g5m s THR 66 CO -0.02 0.04 0.48 -0.44 -0.69 0.00 0.00 174.62 173.99 2g5m s SER 67 N 1.85 6.73 -0.85 3.53 0.01 -1.26 -0.26 113.70 123.45 2g5m s SER 67 Ca -0.07 0.87 -0.24 0.00 1.31 0.00 0.00 55.95 57.82 2g5m s SER 67 Cb -0.09 -2.29 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2g5m s SER 67 CO -0.14 0.07 1.29 -0.76 0.41 0.00 0.00 173.24 174.11 2g5m s LEU 68 N 0.25 3.57 -0.10 2.44 1.43 -0.54 -4.79 118.68 120.95 2g5m s LEU 68 Ca 0.26 -0.99 0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2g5m s LEU 68 Cb -0.16 -2.53 0.49 0.00 0.03 0.00 0.00 46.19 44.02 2g5m s LEU 68 CO 0.11 -1.62 1.31 0.55 0.23 0.00 0.00 176.35 176.94 2g5m n VAL 69 N 6.44 1.38 0.00 -1.59 3.14 -1.26 -4.82 118.33 121.63 2g5m n VAL 69 Ca 0.15 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 2g5m n VAL 69 Cb 0.49 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 2g5m n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2g5m n GLY 70 N 0.67 1.31 3.68 7.55 0.00 -1.25 -4.18 105.19 112.98 2g5m n GLY 70 Ca 0.17 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 2g5m n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g5m s VAL 71 N 0.00 1.55 0.60 1.61 -7.23 -1.06 -4.71 120.40 111.15 2g5m s VAL 71 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2g5m s VAL 71 Cb 0.00 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.37 2g5m s VAL 71 CO 0.00 0.00 0.92 0.42 -0.31 0.00 0.00 175.10 176.13 2g5m s THR 72 N -2.82 3.67 0.28 5.32 -4.23 -1.26 -4.56 115.64 112.05 2g5m s THR 72 Ca 0.21 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2g5m s THR 72 Cb 0.06 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.66 2g5m s THR 72 CO 0.11 -0.50 1.92 -0.61 -0.54 0.00 0.00 174.62 175.00 2g5m h GLN 73 N -0.22 1.07 -0.65 3.99 4.15 -1.96 -0.58 115.11 120.90 2g5m h GLN 73 Ca -0.45 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 58.81 2g5m h GLN 73 Cb 1.25 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 2g5m h GLN 73 CO 0.61 0.76 0.19 0.77 -1.93 0.00 0.00 178.83 179.23 2g5m h SER 74 N 1.09 0.96 -0.21 -0.69 0.02 -1.98 -1.58 113.55 111.14 2g5m h SER 74 Ca 0.28 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2g5m h SER 74 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2g5m h SER 74 CO -0.05 0.92 0.02 0.15 -1.14 0.00 0.00 176.83 176.73 2g5m h PHE 75 N 0.95 0.39 -0.72 3.45 3.04 -1.74 -1.91 116.94 120.40 2g5m h PHE 75 Ca 0.21 -0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.16 2g5m h PHE 75 Cb 0.31 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 2g5m h PHE 75 CO 0.02 0.52 0.41 0.00 -2.02 0.00 0.00 178.31 177.25 2g5m h ALA 76 N 0.82 0.97 0.00 2.41 0.00 -0.99 0.39 119.26 122.86 2g5m h ALA 76 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2g5m h ALA 76 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2g5m h ALA 76 CO 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.22 2g5m h ALA 77 N 1.36 1.22 0.00 0.00 0.00 -1.12 -2.48 119.26 118.25 2g5m h ALA 77 Ca 0.32 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2g5m h ALA 77 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2g5m h ALA 77 CO -0.18 0.18 -1.11 0.77 0.00 0.00 0.00 179.25 178.91 2g5m h SER 78 N 0.00 0.00 0.47 0.00 0.02 -0.21 -3.29 113.55 110.55 2g5m h SER 78 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2g5m h SER 78 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2g5m h SER 78 CO 0.02 0.64 -0.72 1.62 -1.14 0.00 0.00 176.83 177.25 2g5m h VAL 79 N 0.00 1.44 0.00 2.27 3.04 -0.54 -1.67 116.25 120.79 2g5m h VAL 79 Ca -0.11 -2.26 -0.02 0.00 -1.01 0.00 0.00 66.70 63.30 2g5m h VAL 79 Cb 1.58 2.20 -0.00 0.00 -2.01 0.00 0.00 31.29 33.06 2g5m h VAL 79 CO 0.06 0.66 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.13 2g5m h LEU 80 N 0.14 0.00 -1.81 3.16 3.38 -1.63 -0.37 115.31 118.18 2g5m h LEU 80 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2g5m h LEU 80 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2g5m h LEU 80 CO 0.11 0.09 -0.04 0.54 0.09 0.00 0.00 178.44 179.23 2g5m n ARG 81 N -3.43 2.21 -0.09 1.13 1.74 -0.74 -4.02 116.66 113.45 2g5m n ARG 81 Ca -0.01 -1.81 -0.08 0.00 -0.77 0.00 0.00 57.85 55.17 2g5m n ARG 81 Cb 0.24 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.07 2g5m n ARG 81 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2g5m n ASN 82 N 1.18 0.20 -4.80 0.55 5.15 -0.31 -4.99 115.26 112.24 2g5m n ASN 82 Ca 0.14 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 2g5m n ASN 82 Cb 0.58 1.04 0.09 0.00 -0.53 0.00 0.00 39.78 40.96 2g5m n ASN 82 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2g5m s THR 83 N -2.53 3.16 0.00 -0.44 -4.23 -0.30 -5.07 115.64 106.23 2g5m s THR 83 Ca -0.09 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2g5m s THR 83 Cb 0.06 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2g5m s THR 83 CO 0.80 -0.49 0.00 0.29 -0.54 0.00 0.00 174.62 174.68 2g5m n LYS 84 N -3.44 -0.43 -0.16 3.99 4.76 -1.26 -4.95 118.16 116.66 2g5m n LYS 84 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 2g5m n LYS 84 Cb 0.56 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.79 2g5m n LYS 84 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2g5m h GLY 85 N -0.38 1.05 -6.23 0.72 0.00 -1.97 -3.42 103.07 92.84 2g5m h GLY 85 Ca 0.00 -0.83 -0.54 0.00 0.00 0.00 0.00 47.33 45.96 2g5m h GLY 85 CO 0.00 0.76 -0.81 -1.60 0.00 0.00 0.00 176.54 174.89 2g5m s ARG 86 N -4.85 1.76 0.03 4.80 3.52 -1.26 -3.31 118.95 119.65 2g5m s ARG 86 Ca -0.11 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2g5m s ARG 86 Cb 0.13 -1.60 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 2g5m s ARG 86 CO 0.85 -0.12 -0.08 0.14 -0.81 0.00 0.00 175.30 175.28 2g5m s VAL 87 N 1.19 0.59 -0.23 7.11 -7.23 -1.18 -5.00 120.40 115.65 2g5m s VAL 87 Ca -0.04 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 2g5m s VAL 87 Cb -0.14 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 2g5m s VAL 87 CO -0.03 -0.24 0.02 -0.13 -0.31 0.00 0.00 175.10 174.40 2g5m s ARG 88 N -1.27 3.53 0.24 4.82 0.52 -1.26 -1.95 118.95 123.58 2g5m s ARG 88 Ca -0.06 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2g5m s ARG 88 Cb -0.08 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2g5m s ARG 88 CO 0.00 -0.18 0.24 -0.06 0.02 0.00 0.00 175.30 175.33 2g5m s PHE 89 N 1.51 3.23 -0.39 -0.53 0.08 0.12 -1.89 117.98 120.11 2g5m s PHE 89 Ca 0.06 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.93 2g5m s PHE 89 Cb -0.15 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2g5m s PHE 89 CO 0.00 0.50 0.22 -1.64 -0.10 0.00 0.00 175.22 174.20 2g5m s MET 90 N -3.80 2.80 -0.10 0.44 -1.94 0.37 -0.13 119.30 116.95 2g5m s MET 90 Ca 0.33 -1.13 -0.20 0.00 -1.71 0.00 0.00 55.69 52.97 2g5m s MET 90 Cb -0.09 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 2g5m s MET 90 CO 0.26 -0.75 0.56 0.42 -0.01 0.00 0.00 175.02 175.51 2g5m s ILE 91 N 1.55 5.13 -0.37 2.53 1.09 0.37 -1.02 121.20 130.48 2g5m s ILE 91 Ca 0.02 1.14 -0.04 0.00 -1.10 0.00 0.00 60.65 60.68 2g5m s ILE 91 Cb -0.20 -3.90 0.08 0.00 -1.06 0.00 0.00 42.46 37.38 2g5m s ILE 91 CO 0.06 0.29 0.15 -0.83 -0.10 0.00 0.00 174.94 174.51 2g5m s GLY 92 N 0.70 1.91 -0.19 6.18 0.00 -0.67 -0.59 107.32 114.66 2g5m s GLY 92 Ca 0.30 -2.20 -0.29 0.00 0.00 0.00 0.00 44.72 42.53 2g5m s GLY 92 CO 0.13 0.90 1.35 -1.60 0.00 0.00 0.00 173.10 173.89 2g5m s ARG 93 N 1.23 4.11 -1.24 2.90 6.06 -0.29 -3.93 118.95 127.80 2g5m s ARG 93 Ca 0.03 1.63 -0.18 0.00 -2.50 0.00 0.00 55.73 54.71 2g5m s ARG 93 Cb -0.22 -3.84 -0.01 0.00 0.06 0.00 0.00 34.95 30.95 2g5m s ARG 93 CO -0.02 -0.87 1.94 -1.91 -2.50 0.00 0.00 175.30 171.94 2g5m n GLU 94 N 6.93 2.52 0.13 5.12 2.13 -1.26 -2.05 120.64 134.16 2g5m n GLU 94 Ca 0.15 -2.71 -0.11 0.00 0.66 0.00 0.00 57.16 55.15 2g5m n GLU 94 Cb 0.45 -3.40 -0.07 0.00 0.27 0.00 0.00 31.44 28.70 2g5m n GLU 94 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2g5m h ARG 95 N 7.62 -0.38 -7.43 5.31 2.43 -1.90 -3.47 114.38 116.56 2g5m h ARG 95 Ca 0.43 0.03 -0.47 0.00 -0.81 0.00 0.00 59.98 59.16 2g5m h ARG 95 Cb 0.79 0.09 0.13 0.00 -0.42 0.00 0.00 29.97 30.55 2g5m h ARG 95 CO 1.61 -0.05 0.30 -1.25 -1.51 0.00 0.00 179.97 179.06 2g5m s PRO 96 N -3.70 1.47 -0.42 0.20 0.04 -1.26 -5.05 135.00 126.28 2g5m s PRO 96 Ca -0.12 0.51 0.08 0.00 0.04 0.00 0.00 61.00 61.51 2g5m s PRO 96 Cb 0.01 -1.86 0.28 0.00 0.04 0.00 0.00 34.50 32.97 2g5m s PRO 96 CO 0.41 -2.02 0.72 0.41 0.04 0.00 0.00 177.00 176.56 2g5m n GLY 97 N -1.95 2.10 2.11 0.56 0.00 -1.26 -4.97 105.19 101.78 2g5m n GLY 97 Ca 0.07 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 2g5m n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g5m n GLU 98 N 1.12 -1.82 0.03 1.61 1.02 -1.26 -4.77 120.64 116.57 2g5m n GLU 98 Ca 0.17 0.53 0.11 0.00 -0.02 0.00 0.00 57.16 57.95 2g5m n GLU 98 Cb 0.60 -4.91 -0.07 0.00 -0.02 0.00 0.00 31.44 27.04 2g5m n GLU 98 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2g5m n GLN 99 N -2.21 0.50 -1.93 3.49 -0.06 -1.26 -4.94 117.38 110.97 2g5m n GLN 99 Ca -0.11 -0.05 -0.31 0.00 -2.00 0.00 0.00 57.00 54.53 2g5m n GLN 99 Cb 0.46 -1.62 0.01 0.00 -4.06 0.00 0.00 30.24 25.03 2g5m n GLN 99 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2g5m s SER 100 N -4.47 6.00 -0.39 1.69 0.01 -1.26 -4.58 113.70 110.70 2g5m s SER 100 Ca -0.02 1.57 -0.20 0.00 1.31 0.00 0.00 55.95 58.61 2g5m s SER 100 Cb 0.13 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2g5m s SER 100 CO 0.84 -1.02 0.51 1.21 0.41 0.00 0.00 173.24 175.20 2g5m n GLU 101 N -2.49 -2.25 -4.86 12.44 2.13 -1.26 -5.02 120.64 119.32 2g5m n GLU 101 Ca 0.07 1.92 -0.33 0.00 0.66 0.00 0.00 57.16 59.48 2g5m n GLU 101 Cb 0.54 -4.29 -0.14 0.00 0.27 0.00 0.00 31.44 27.82 2g5m n GLU 101 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2g5m s VAL 102 N -2.06 2.94 0.00 6.31 0.11 -1.26 -5.04 120.40 121.39 2g5m s VAL 102 Ca 0.25 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2g5m s VAL 102 Cb -0.05 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 2g5m s VAL 102 CO 0.76 0.54 0.00 0.00 -3.33 0.00 0.00 175.10 173.07 2g5m n ALA 103 N 3.22 0.15 -3.26 1.54 0.00 -1.26 -5.03 120.51 115.88 2g5m n ALA 103 Ca -0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2g5m n ALA 103 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2g5m n ALA 103 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2g5m s GLN 104 N -0.55 0.49 -0.01 0.00 -2.07 -1.26 -4.98 119.66 111.28 2g5m s GLN 104 Ca 0.00 0.18 0.20 0.00 -1.82 0.00 0.00 55.36 53.93 2g5m s GLN 104 Cb 0.00 -0.14 -0.26 0.00 -1.09 0.00 0.00 33.01 31.52 2g5m s GLN 104 CO 0.00 -1.06 0.71 1.28 -1.32 0.00 0.00 175.29 174.90 2g5m n LEU 105 N 5.27 0.59 -0.06 2.60 4.77 -1.26 -4.46 117.00 124.45 2g5m n LEU 105 Ca 0.03 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 2g5m n LEU 105 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2g5m n LEU 105 CO -0.03 0.15 -0.27 0.40 -1.33 0.00 0.00 177.39 176.32 2g5m h ILE 106 N 0.00 0.00 -3.35 -0.08 1.08 -2.05 -3.43 117.51 109.68 2g5m h ILE 106 Ca 0.00 -0.96 -0.73 0.00 -0.39 0.00 0.00 64.86 62.78 2g5m h ILE 106 Cb 0.66 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.17 2g5m h ILE 106 CO 0.00 0.00 -0.37 -1.58 -0.69 0.00 0.00 178.15 175.51 2g5m s GLN 107 N -2.06 2.86 -0.34 2.37 0.74 -1.26 -5.03 119.66 116.94 2g5m s GLN 107 Ca -0.11 -1.38 -0.10 0.00 0.05 0.00 0.00 55.36 53.82 2g5m s GLN 107 Cb 0.02 -4.02 0.02 0.00 1.10 0.00 0.00 33.01 30.12 2g5m s GLN 107 CO 0.17 -1.00 0.17 -0.65 -0.55 0.00 0.00 175.29 173.43 2g5m s GLN 108 N 1.57 3.00 -0.00 1.67 -0.21 -1.26 -4.79 119.66 119.63 2g5m s GLN 108 Ca 0.04 -0.95 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 2g5m s GLN 108 Cb -0.24 -3.62 -0.34 0.00 1.00 0.00 0.00 33.01 29.81 2g5m s GLN 108 CO 0.05 -0.58 0.95 0.00 -2.12 0.00 0.00 175.29 173.59 2g5m h THR 109 N 5.83 1.34 0.00 -0.19 1.03 -1.96 -3.42 112.91 115.55 2g5m h THR 109 Ca -0.28 -2.64 0.00 0.00 -0.01 0.00 0.00 66.41 63.48 2g5m h THR 109 Cb 1.12 3.09 0.00 0.00 -1.07 0.00 0.00 68.15 71.28 2g5m h THR 109 CO 0.64 0.78 -0.32 0.18 -0.01 0.00 0.00 175.52 176.79 2g5m n LEU 110 N -3.85 0.00 -1.31 0.00 4.77 -1.26 -5.14 117.00 110.22 2g5m n LEU 110 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2g5m n LEU 110 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2g5m n LEU 110 CO 0.56 0.00 -0.28 1.21 -1.33 0.00 0.00 177.39 177.56 2g5m n GLU 111 N -0.70 -3.19 0.00 3.23 2.13 -1.26 -5.07 120.64 115.78 2g5m n GLU 111 Ca 0.00 2.41 0.00 0.00 0.66 0.00 0.00 57.16 60.23 2g5m n GLU 111 Cb 0.07 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.32 2g5m n GLU 111 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2g5m n GLN 112 N 0.79 0.00 0.00 5.31 6.02 -1.26 -5.21 117.38 123.02 2g5m n GLN 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2g5m n GLN 112 Cb 0.00 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.22 2g5m n GLN 112 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44