#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5m n HIS 2 N 0.00 -0.43 -1.90 1.61 -0.00 -1.26 -4.63 115.22 108.61 2g5m n HIS 2 Ca 0.00 -0.68 -0.42 0.00 -0.00 0.00 0.00 57.72 56.61 2g5m n HIS 2 Cb 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 2g5m n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2g5m s MET 3 N -2.29 3.93 -0.43 -1.40 0.00 -1.25 -4.21 119.30 113.65 2g5m s MET 3 Ca 0.09 2.13 -0.10 0.00 0.00 0.00 0.00 55.69 57.82 2g5m s MET 3 Cb 0.00 -4.10 0.08 0.00 0.00 0.00 0.00 34.83 30.81 2g5m s MET 3 CO 0.07 -1.16 0.28 -1.21 0.00 0.00 0.00 175.02 172.99 2g5m s GLU 4 N 4.63 2.63 -0.95 3.16 2.02 -0.56 -4.88 118.70 124.75 2g5m s GLU 4 Ca 0.80 -1.46 -0.19 0.00 0.02 0.00 0.00 54.97 54.14 2g5m s GLU 4 Cb -0.33 -3.82 0.12 0.00 0.10 0.00 0.00 34.13 30.20 2g5m s GLU 4 CO 0.33 -0.97 1.17 -0.51 0.02 0.00 0.00 175.26 175.31 2g5m s LEU 5 N 1.44 4.90 0.04 1.80 2.01 -1.26 -0.49 118.68 127.12 2g5m s LEU 5 Ca 0.03 -2.02 0.08 0.00 0.01 0.00 0.00 54.13 52.23 2g5m s LEU 5 Cb -0.23 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.52 2g5m s LEU 5 CO 0.02 -1.09 -0.23 0.72 1.01 0.00 0.00 176.35 176.78 2g5m s PHE 6 N 2.87 2.41 -0.06 0.29 -0.12 0.37 -4.92 117.98 118.83 2g5m s PHE 6 Ca 0.34 -0.35 -0.29 0.00 -0.05 0.00 0.00 56.93 56.58 2g5m s PHE 6 Cb -0.04 -1.42 -0.02 0.00 -0.63 0.00 0.00 43.02 40.90 2g5m s PHE 6 CO -0.09 0.17 0.95 -1.25 -0.05 0.00 0.00 175.22 174.95 2g5m s PRO 7 N -1.29 4.48 -0.10 1.99 0.04 -1.26 -0.16 135.00 138.69 2g5m s PRO 7 Ca 0.13 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2g5m s PRO 7 Cb -0.10 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2g5m s PRO 7 CO 0.03 -0.16 -0.11 0.08 0.04 0.00 0.00 177.00 176.89 2g5m s VAL 8 N 1.45 3.33 -0.09 -0.36 1.01 0.80 -4.91 120.40 121.64 2g5m s VAL 8 Ca 0.48 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2g5m s VAL 8 Cb -0.19 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2g5m s VAL 8 CO 0.22 0.55 -0.22 -0.70 0.00 0.00 0.00 175.10 174.96 2g5m s GLU 9 N -0.18 2.71 0.11 2.72 2.12 -1.26 0.22 118.70 125.14 2g5m s GLU 9 Ca 0.01 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.50 2g5m s GLU 9 Cb -0.13 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.14 2g5m s GLU 9 CO 0.03 0.18 0.13 -1.17 -0.54 0.00 0.00 175.26 173.89 2g5m s LEU 10 N 0.33 1.64 0.43 2.70 0.20 -0.82 -4.92 118.68 118.24 2g5m s LEU 10 Ca -0.16 -0.93 -0.08 0.00 0.69 0.00 0.00 54.13 53.65 2g5m s LEU 10 Cb -0.17 0.70 -0.05 0.00 -0.43 0.00 0.00 46.19 46.24 2g5m s LEU 10 CO 0.07 -0.74 0.76 -1.61 -0.29 0.00 0.00 176.35 174.54 2g5m s GLU 11 N -3.95 3.68 0.00 1.98 0.41 -1.26 -2.05 118.70 117.51 2g5m s GLU 11 Ca 0.13 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 2g5m s GLU 11 Cb 0.06 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 2g5m s GLU 11 CO -0.05 -0.09 0.00 0.36 -0.49 0.00 0.00 175.26 175.00 2g5m n LYS 12 N -1.64 0.19 -4.39 1.61 2.85 0.86 -4.64 118.16 112.99 2g5m n LYS 12 Ca 0.01 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.08 2g5m n LYS 12 Cb 0.54 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.82 2g5m n LYS 12 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2g5m s ASP 13 N -1.04 2.66 0.39 -5.58 -1.08 -1.26 -4.57 116.67 106.19 2g5m s ASP 13 Ca 0.00 -1.11 0.07 0.00 -0.52 0.00 0.00 52.55 50.99 2g5m s ASP 13 Cb 0.00 -0.15 0.81 0.00 -1.46 0.00 0.00 42.92 42.12 2g5m s ASP 13 CO 0.00 -0.27 2.00 -1.28 0.52 0.00 0.00 175.17 176.14 2g5m h SER 14 N 2.41 0.42 0.00 -0.34 0.87 -1.99 -2.84 113.55 112.08 2g5m h SER 14 Ca -0.39 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 59.97 2g5m h SER 14 Cb 1.23 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 2g5m h SER 14 CO 0.65 0.38 -1.00 -0.08 -0.53 0.00 0.00 176.83 176.25 2g5m h GLU 15 N 0.47 0.00 0.00 2.24 4.81 -1.99 -3.49 114.58 116.61 2g5m h GLU 15 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2g5m h GLU 15 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2g5m h GLU 15 CO -0.01 0.81 0.00 0.41 -0.73 0.00 0.00 179.01 179.49 2g5m n GLY 16 N 1.49 1.05 2.63 1.92 0.00 -1.07 -5.10 105.19 106.10 2g5m n GLY 16 Ca -0.25 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.51 -3.35 0.99 7.99 -1.26 -4.83 117.00 110.03 2g5m n LEU 17 Ca 0.00 2.16 -0.39 0.00 -0.01 0.00 0.00 56.01 57.76 2g5m n LEU 17 Cb 0.00 -3.30 -0.02 0.00 -0.11 0.00 0.00 43.42 39.99 2g5m n LEU 17 CO 0.00 -3.92 3.09 0.61 -1.51 0.00 0.00 177.39 175.66 2g5m n GLY 18 N 1.54 4.54 1.94 -0.72 0.00 -1.26 -4.71 105.19 106.51 2g5m n GLY 18 Ca -0.35 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 2g5m n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2g5m n ILE 19 N 3.00 0.00 -3.72 -0.61 -5.35 -1.26 -0.82 119.36 110.59 2g5m n ILE 19 Ca 0.74 -1.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 2g5m n ILE 19 Cb 0.24 0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 38.68 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 -2.25 -0.31 0.23 7.28 0.01 0.64 -4.80 113.70 114.50 2g5m s SER 20 Ca 0.17 0.38 0.09 0.00 1.31 0.00 0.00 55.95 57.90 2g5m s SER 20 Cb -0.01 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 2g5m s SER 20 CO 0.12 -0.37 -0.04 0.27 0.41 0.00 0.00 173.24 173.63 2g5m s ILE 21 N -0.85 3.36 -0.05 1.44 -4.36 -1.26 0.41 121.20 119.89 2g5m s ILE 21 Ca -0.09 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 2g5m s ILE 21 Cb -0.04 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.94 2g5m s ILE 21 CO 0.04 -0.27 -0.08 -0.51 0.24 0.00 0.00 174.94 174.35 2g5m s ILE 22 N -2.10 0.80 -0.94 8.37 1.10 0.12 -4.49 121.20 124.05 2g5m s ILE 22 Ca 0.29 -0.28 -0.19 0.00 -0.51 0.00 0.00 60.65 59.96 2g5m s ILE 22 Cb -0.07 -0.76 0.12 0.00 0.15 0.00 0.00 42.46 41.90 2g5m s ILE 22 CO 0.18 0.28 1.16 -0.83 -2.11 0.00 0.00 174.94 173.62 2g5m s GLY 23 N 0.76 1.88 -0.43 1.50 0.00 -1.26 -1.34 107.32 108.43 2g5m s GLY 23 Ca -0.13 -2.73 -0.28 0.00 0.00 0.00 0.00 44.72 41.58 2g5m s GLY 23 CO 0.02 2.07 1.55 1.06 0.00 0.00 0.00 173.10 177.80 2g5m s MET 24 N 2.87 3.39 -1.35 2.90 -1.94 0.01 -4.86 119.30 120.32 2g5m s MET 24 Ca 0.34 0.97 -0.10 0.00 -1.71 0.00 0.00 55.69 55.19 2g5m s MET 24 Cb -0.04 -4.12 0.12 0.00 2.01 0.00 0.00 34.83 32.79 2g5m s MET 24 CO -0.09 -1.80 2.12 0.41 -0.01 0.00 0.00 175.02 175.64 2g5m n GLY 25 N 5.25 4.75 2.90 -0.03 0.00 -1.26 -1.33 105.19 115.47 2g5m n GLY 25 Ca 0.18 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 2g5m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m n ALA 26 N 3.90 4.10 -2.11 4.61 0.00 -1.26 -5.02 120.51 124.72 2g5m n ALA 26 Ca 0.49 -4.68 -0.40 0.00 0.00 0.00 0.00 53.44 48.85 2g5m n ALA 26 Cb 0.34 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2g5m n ALA 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2g5m s GLY 27 N -1.13 0.54 -0.48 0.00 0.00 -1.25 -4.50 107.32 100.50 2g5m s GLY 27 Ca 0.31 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.38 2g5m s GLY 27 CO -0.06 3.23 1.72 0.00 0.00 0.00 0.00 173.10 178.00 2g5m s ALA 28 N 7.73 2.62 -1.44 3.20 0.00 -0.66 -4.75 121.76 128.46 2g5m s ALA 28 Ca 0.68 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2g5m s ALA 28 Cb -0.15 -4.13 0.05 0.00 0.00 0.00 0.00 23.12 18.89 2g5m s ALA 28 CO 0.26 -3.12 2.30 -3.47 0.00 0.00 0.00 175.76 171.73 2g5m n ASP 29 N 10.94 5.35 -1.03 0.00 2.03 -1.26 -2.03 116.55 130.55 2g5m n ASP 29 Ca 0.20 -2.87 -0.00 0.00 0.52 0.00 0.00 54.79 52.64 2g5m n ASP 29 Cb 0.49 -1.58 0.21 0.00 -0.72 0.00 0.00 41.12 39.52 2g5m n ASP 29 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2g5m n MET 30 N 4.83 2.09 -0.35 -0.67 0.00 -1.26 -4.87 117.12 116.89 2g5m n MET 30 Ca 0.55 -3.06 0.00 0.00 0.00 0.00 0.00 57.70 55.19 2g5m n MET 30 Cb 0.34 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 -0.98 0.83 0.00 3.17 0.00 -1.26 -4.87 105.19 102.07 2g5m n GLY 31 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 -3.85 0.99 4.77 -1.26 -5.01 117.00 112.64 2g5m n LEU 32 Ca 0.00 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 2g5m n LEU 32 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2g5m n LEU 32 CO 0.00 0.00 -0.09 -1.84 -1.33 0.00 0.00 177.39 174.13 2g5m n GLU 33 N -0.57 -1.90 -1.82 3.23 0.28 -0.86 -4.81 120.64 114.19 2g5m n GLU 33 Ca 0.00 0.18 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 2g5m n GLU 33 Cb 0.00 -4.78 -0.03 0.00 1.43 0.00 0.00 31.44 28.06 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2g5m s LYS 34 N -6.49 4.16 0.52 3.44 -2.85 -1.15 -4.42 119.74 112.95 2g5m s LYS 34 Ca 0.56 2.45 -0.07 0.00 -1.00 0.00 0.00 55.97 57.91 2g5m s LYS 34 Cb -0.32 -3.88 -0.03 0.00 -2.06 0.00 0.00 37.83 31.53 2g5m s LYS 34 CO 0.69 -0.86 0.85 -0.51 0.10 0.00 0.00 175.35 175.63 2g5m s LEU 35 N 3.61 3.50 -0.53 2.77 1.43 -1.24 -1.65 118.68 126.57 2g5m s LEU 35 Ca 0.80 1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 54.88 2g5m s LEU 35 Cb -0.40 -3.97 0.14 0.00 0.03 0.00 0.00 46.19 41.98 2g5m s LEU 35 CO 0.36 -0.70 0.34 -0.83 0.23 0.00 0.00 176.35 175.74 2g5m s GLY 36 N -4.15 2.26 -1.08 -3.19 0.00 -0.44 -4.70 107.32 96.03 2g5m s GLY 36 Ca 0.50 -2.92 -0.17 0.00 0.00 0.00 0.00 44.72 42.13 2g5m s GLY 36 CO 0.47 1.07 1.33 -0.42 0.00 0.00 0.00 173.10 175.55 2g5m s ILE 37 N 0.52 4.72 0.82 0.90 -1.09 -1.26 -0.81 121.20 125.00 2g5m s ILE 37 Ca 0.13 -1.94 -0.09 0.00 -2.23 0.00 0.00 60.65 56.51 2g5m s ILE 37 Cb -0.22 -4.89 0.14 0.00 -1.58 0.00 0.00 42.46 35.91 2g5m s ILE 37 CO -0.04 -1.64 1.15 -0.36 -1.23 0.00 0.00 174.94 172.82 2g5m s PHE 38 N 2.61 2.00 0.29 3.97 0.40 -0.45 -3.17 117.98 123.63 2g5m s PHE 38 Ca 0.40 0.20 -0.28 0.00 -0.60 0.00 0.00 56.93 56.65 2g5m s PHE 38 Cb -0.03 -3.54 -0.09 0.00 0.51 0.00 0.00 43.02 39.87 2g5m s PHE 38 CO -0.04 -2.03 0.94 0.08 0.70 0.00 0.00 175.22 174.87 2g5m s VAL 39 N -3.50 4.14 -0.25 -0.44 1.01 0.75 0.13 120.40 122.23 2g5m s VAL 39 Ca 0.68 1.94 -0.14 0.00 0.00 0.00 0.00 61.98 64.46 2g5m s VAL 39 Cb -0.06 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 2g5m s VAL 39 CO 0.48 0.31 -0.34 1.17 0.00 0.00 0.00 175.10 176.71 2g5m n LYS 40 N 0.99 0.56 -3.85 2.72 4.81 0.17 -4.47 118.16 119.08 2g5m n LYS 40 Ca 0.00 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.59 2g5m n LYS 40 Cb 0.49 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 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 -2.56 0.08 -0.23 3.15 -1.32 -1.05 -4.93 115.64 108.78 2g5m s THR 41 Ca -0.36 -1.11 -0.04 0.00 -1.21 0.00 0.00 61.69 58.97 2g5m s THR 41 Cb 0.12 -1.56 0.08 0.00 -1.51 0.00 0.00 72.50 69.64 2g5m s THR 41 CO 0.46 -0.37 0.13 0.54 -2.21 0.00 0.00 174.62 173.16 2g5m s VAL 42 N -3.90 -0.12 0.11 5.08 0.11 -1.26 -0.26 120.40 120.16 2g5m s VAL 42 Ca 0.10 -0.41 -0.31 0.00 -2.93 0.00 0.00 61.98 58.43 2g5m s VAL 42 Cb 0.03 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 2g5m s VAL 42 CO -0.05 -0.46 1.71 -0.89 -3.33 0.00 0.00 175.10 172.07 2g5m s THR 43 N 2.15 2.76 0.38 5.04 2.01 0.00 -4.83 115.64 123.15 2g5m s THR 43 Ca 0.06 0.30 0.31 0.00 0.31 0.00 0.00 61.69 62.67 2g5m s THR 43 Cb -0.16 -3.19 0.33 0.00 0.01 0.00 0.00 72.50 69.49 2g5m s THR 43 CO -0.22 0.00 2.09 1.05 -0.69 0.00 0.00 174.62 176.85 2g5m h GLU 44 N 8.16 0.00 -0.06 4.92 4.11 -1.97 -0.60 114.58 129.14 2g5m h GLU 44 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2g5m h GLU 44 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2g5m h GLU 44 CO 0.94 0.09 0.00 0.41 0.07 0.00 0.00 179.01 180.51 2g5m n GLY 45 N -0.57 -0.53 3.81 1.06 0.00 -1.26 -4.69 105.19 103.01 2g5m n GLY 45 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.60 1.79 0.27 -0.02 0.00 -0.23 -5.01 107.32 102.52 2g5m s GLY 46 Ca 0.30 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.33 2g5m s GLY 46 CO 0.24 -1.63 1.76 0.00 0.00 0.00 0.00 173.10 173.47 2g5m h ALA 47 N 1.38 1.12 -0.71 3.20 0.00 -1.83 -3.10 119.26 119.33 2g5m h ALA 47 Ca -0.45 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2g5m h ALA 47 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2g5m h ALA 47 CO 0.60 0.56 0.30 0.00 0.00 0.00 0.00 179.25 180.70 2g5m h ALA 48 N 1.28 1.19 -0.31 0.00 0.00 -1.82 0.14 119.26 119.75 2g5m h ALA 48 Ca 0.12 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2g5m h ALA 48 Cb 0.49 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2g5m h ALA 48 CO 0.03 0.59 -0.32 1.25 0.00 0.00 0.00 179.25 180.80 2g5m h HIS 49 N 1.02 0.92 -0.02 0.00 6.17 -1.71 -1.82 115.15 119.72 2g5m h HIS 49 Ca 0.24 -0.28 -0.22 0.00 0.71 0.00 0.00 60.37 60.82 2g5m h HIS 49 Cb 0.17 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.91 2g5m h HIS 49 CO 0.01 1.05 -0.91 0.00 0.71 0.00 0.00 177.93 178.80 2g5m h ARG 50 N 0.53 0.42 0.51 5.26 3.08 -1.45 -3.29 114.38 119.43 2g5m h ARG 50 Ca 0.05 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 2g5m h ARG 50 Cb 0.90 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2g5m h ARG 50 CO 0.08 1.09 -0.24 0.22 -1.07 0.00 0.00 179.97 180.05 2g5m h ASP 51 N 0.24 -0.58 0.00 7.04 3.58 -0.70 -3.48 116.42 122.53 2g5m h ASP 51 Ca -0.07 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2g5m h ASP 51 Cb 1.53 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2g5m h ASP 51 CO 0.16 -0.34 0.00 0.61 -2.88 0.00 0.00 179.24 176.79 2g5m n GLY 52 N -0.71 2.31 0.35 -0.78 0.00 -0.69 -5.02 105.19 100.66 2g5m n GLY 52 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2g5m n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2g5m h ARG 53 N 0.31 -0.85 -6.59 1.61 2.47 -1.92 -3.37 114.38 106.05 2g5m h ARG 53 Ca 0.00 0.06 -0.56 0.00 -1.26 0.00 0.00 59.98 58.22 2g5m h ARG 53 Cb 0.00 0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.45 2g5m h ARG 53 CO 0.00 -0.56 1.02 0.42 0.56 0.00 0.00 179.97 181.40 2g5m s ILE 54 N -4.75 4.00 0.49 2.04 1.01 -1.26 -5.00 121.20 117.73 2g5m s ILE 54 Ca -0.13 0.99 0.08 0.00 0.00 0.00 0.00 60.65 61.59 2g5m s ILE 54 Cb 0.01 -4.42 0.04 0.00 0.01 0.00 0.00 42.46 38.09 2g5m s ILE 54 CO 0.38 -0.96 0.60 -1.10 0.00 0.00 0.00 174.94 173.87 2g5m s GLN 55 N 4.86 2.54 0.19 2.79 -1.52 -1.26 -4.54 119.66 122.72 2g5m s GLN 55 Ca 0.54 -1.51 0.16 0.00 -1.95 0.00 0.00 55.36 52.60 2g5m s GLN 55 Cb -0.10 -2.60 0.78 0.00 -0.22 0.00 0.00 33.01 30.87 2g5m s GLN 55 CO 0.31 -0.50 1.49 1.55 -0.25 0.00 0.00 175.29 177.89 2g5m n VAL 56 N -1.94 1.20 -1.00 1.09 3.14 -1.26 -2.30 118.33 117.26 2g5m n VAL 56 Ca 0.09 0.49 0.05 0.00 -2.96 0.00 0.00 64.34 62.01 2g5m n VAL 56 Cb 0.61 -1.44 0.07 0.00 -1.06 0.00 0.00 33.84 32.02 2g5m n VAL 56 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2g5m n ASN 57 N -1.97 1.61 -4.71 6.55 2.85 -1.26 -3.98 115.26 114.35 2g5m n ASN 57 Ca 0.00 -2.45 -0.27 0.00 -0.11 0.00 0.00 54.58 51.75 2g5m n ASN 57 Cb 0.09 -0.25 0.11 0.00 1.24 0.00 0.00 39.78 40.97 2g5m n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2g5m s ASP 58 N -1.84 4.28 -0.16 1.20 1.01 -0.97 -4.72 116.67 115.47 2g5m s ASP 58 Ca 0.16 0.43 -0.00 0.00 0.71 0.00 0.00 52.55 53.84 2g5m s ASP 58 Cb 0.14 -0.86 0.04 0.00 1.01 0.00 0.00 42.92 43.24 2g5m s ASP 58 CO 0.01 -1.98 -0.06 -0.22 0.21 0.00 0.00 175.17 173.13 2g5m s LEU 59 N -5.48 1.62 -0.74 1.23 2.96 -1.26 -0.18 118.68 116.82 2g5m s LEU 59 Ca 0.64 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 2g5m s LEU 59 Cb -0.09 -0.94 0.13 0.00 0.50 0.00 0.00 46.19 45.79 2g5m s LEU 59 CO 0.48 -0.17 0.88 -0.76 -1.32 0.00 0.00 176.35 175.46 2g5m s LEU 60 N 1.62 5.39 -0.02 -0.68 1.43 -1.19 -3.80 118.68 121.42 2g5m s LEU 60 Ca 0.01 -1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 51.28 2g5m s LEU 60 Cb -0.15 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2g5m s LEU 60 CO -0.08 -1.05 0.43 0.58 0.23 0.00 0.00 176.35 176.46 2g5m h VAL 61 N 5.71 0.00 -3.35 -1.59 2.07 -1.42 -3.44 116.25 114.23 2g5m h VAL 61 Ca -0.09 -0.31 -0.41 0.00 0.82 0.00 0.00 66.70 66.71 2g5m h VAL 61 Cb 1.06 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.66 2g5m h VAL 61 CO 1.06 0.00 -0.74 -1.83 0.02 0.00 0.00 177.57 176.07 2g5m s GLU 62 N -2.33 1.12 0.36 1.57 -1.05 -1.25 -4.09 118.70 113.03 2g5m s GLU 62 Ca -0.03 -1.38 0.05 0.00 -0.15 0.00 0.00 54.97 53.46 2g5m s GLU 62 Cb 0.00 -0.91 0.05 0.00 -0.44 0.00 0.00 34.13 32.84 2g5m s GLU 62 CO 0.10 0.16 0.42 1.55 0.95 0.00 0.00 175.26 178.44 2g5m n VAL 63 N 0.12 0.00 -0.01 1.83 3.14 -0.67 -0.66 118.33 122.09 2g5m n VAL 63 Ca -0.12 -1.29 -0.10 0.00 -2.96 0.00 0.00 64.34 59.86 2g5m n VAL 63 Cb 0.59 -0.51 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 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 0.19 -0.99 0.00 6.55 3.58 -1.11 -3.27 116.42 121.36 2g5m h ASP 64 Ca -0.19 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2g5m h ASP 64 Cb 0.80 0.43 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2g5m h ASP 64 CO 0.28 -0.35 -0.42 0.61 -2.88 0.00 0.00 179.24 176.48 2g5m n GLY 65 N -1.41 4.77 3.29 -0.78 0.00 -1.26 -4.95 105.19 104.85 2g5m n GLY 65 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.91 -0.63 -0.41 2.61 2.01 -1.23 -5.13 115.64 109.95 2g5m s THR 66 Ca 0.36 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 2g5m s THR 66 Cb 0.35 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 72.19 2g5m s THR 66 CO -0.05 0.06 0.53 -0.44 -0.69 0.00 0.00 174.62 174.03 2g5m s SER 67 N 2.55 6.27 -0.23 3.53 0.01 -1.26 -1.67 113.70 122.89 2g5m s SER 67 Ca -0.02 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 56.65 2g5m s SER 67 Cb -0.12 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2g5m s SER 67 CO -0.13 -0.62 0.63 -0.76 0.41 0.00 0.00 173.24 172.76 2g5m s LEU 68 N 2.44 4.09 0.29 2.44 1.43 -1.26 -4.92 118.68 123.20 2g5m s LEU 68 Ca 0.17 0.75 0.20 0.00 -1.03 0.00 0.00 54.13 54.22 2g5m s LEU 68 Cb -0.16 -2.86 0.12 0.00 0.03 0.00 0.00 46.19 43.32 2g5m s LEU 68 CO 0.15 -0.33 1.32 1.62 0.23 0.00 0.00 176.35 179.35 2g5m h VAL 69 N 5.32 0.30 0.00 -1.59 3.04 -1.96 -3.40 116.25 117.96 2g5m h VAL 69 Ca -0.29 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 2g5m h VAL 69 Cb 1.13 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 2g5m h VAL 69 CO 0.77 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 178.12 2g5m n GLY 70 N 1.19 -0.59 3.46 3.17 0.00 -1.26 -4.62 105.19 106.53 2g5m n GLY 70 Ca 0.01 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2g5m n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g5m n VAL 71 N 0.00 0.00 -1.76 1.61 0.24 -1.26 -3.63 118.33 113.52 2g5m n VAL 71 Ca 0.00 -1.32 -0.30 0.00 -2.04 0.00 0.00 64.34 60.67 2g5m n VAL 71 Cb 0.00 -1.04 0.06 0.00 -1.47 0.00 0.00 33.84 31.40 2g5m n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2g5m s THR 72 N -2.86 3.32 0.25 3.34 -4.23 -1.26 -4.63 115.64 109.57 2g5m s THR 72 Ca 0.60 0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 61.49 2g5m s THR 72 Cb -0.03 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.73 2g5m s THR 72 CO 0.40 -0.56 1.90 -0.61 -0.54 0.00 0.00 174.62 175.22 2g5m h GLN 73 N -0.81 1.20 -0.37 3.99 4.15 -1.94 -0.12 115.11 121.21 2g5m h GLN 73 Ca -0.46 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 58.79 2g5m h GLN 73 Cb 1.26 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 2g5m h GLN 73 CO 0.62 0.80 -0.16 1.03 -1.93 0.00 0.00 178.83 179.18 2g5m h SER 74 N 1.24 0.69 -0.10 -0.69 0.87 -1.98 0.84 113.55 114.41 2g5m h SER 74 Ca 0.38 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2g5m h SER 74 Cb -0.02 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2g5m h SER 74 CO -0.12 0.86 -0.05 0.15 -0.53 0.00 0.00 176.83 177.14 2g5m h PHE 75 N 0.62 0.25 -0.79 2.24 3.04 -1.70 -1.90 116.94 118.71 2g5m h PHE 75 Ca 0.10 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 2g5m h PHE 75 Cb 0.63 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 2g5m h PHE 75 CO 0.03 0.57 0.35 0.00 -2.02 0.00 0.00 178.31 177.24 2g5m h ALA 76 N 0.64 1.14 -0.90 2.41 0.00 -0.86 -1.80 119.26 119.89 2g5m h ALA 76 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2g5m h ALA 76 Cb 0.50 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2g5m h ALA 76 CO 0.02 0.64 0.51 0.00 0.00 0.00 0.00 179.25 180.41 2g5m h ALA 77 N 1.26 1.20 0.00 0.00 0.00 -0.70 -2.03 119.26 118.98 2g5m h ALA 77 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2g5m h ALA 77 Cb 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2g5m h ALA 77 CO -0.03 0.66 -0.11 -1.13 0.00 0.00 0.00 179.25 178.64 2g5m n SER 78 N -4.34 0.21 0.04 0.00 3.41 -0.73 -2.55 113.62 109.66 2g5m n SER 78 Ca 0.10 0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.92 2g5m n SER 78 Cb 0.08 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 2g5m n SER 78 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2g5m h VAL 79 N 0.00 1.05 0.00 -3.33 3.04 -0.65 -3.19 116.25 113.16 2g5m h VAL 79 Ca 0.00 -2.75 -0.00 0.00 -1.01 0.00 0.00 66.70 62.93 2g5m h VAL 79 Cb 0.54 2.65 -0.00 0.00 -2.01 0.00 0.00 31.29 32.47 2g5m h VAL 79 CO 0.00 0.77 -0.01 -0.07 -1.01 0.00 0.00 177.57 177.25 2g5m h LEU 80 N 0.05 0.00 -1.65 3.16 3.38 -1.35 -1.59 115.31 117.30 2g5m h LEU 80 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2g5m h LEU 80 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2g5m h LEU 80 CO 0.13 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.21 2g5m n ARG 81 N -3.11 2.09 -0.01 1.13 1.74 -1.06 -3.87 116.66 113.57 2g5m n ARG 81 Ca 0.00 -1.63 0.04 0.00 -0.77 0.00 0.00 57.85 55.49 2g5m n ARG 81 Cb 0.30 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.87 1.73 -4.94 0.55 5.15 -0.61 -5.04 115.26 112.97 2g5m n ASN 82 Ca 0.17 -1.38 -0.22 0.00 -0.60 0.00 0.00 54.58 52.55 2g5m n ASN 82 Cb 0.46 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.75 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 -0.67 2.54 0.00 -0.44 -4.23 -1.16 -5.08 115.64 106.61 2g5m s THR 83 Ca 0.10 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2g5m s THR 83 Cb 0.07 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2g5m s THR 83 CO 0.10 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.47 2g5m n LYS 84 N -2.49 -0.19 0.04 3.99 4.76 -1.26 -4.97 118.16 118.04 2g5m n LYS 84 Ca 0.09 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 2g5m n LYS 84 Cb 0.60 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 34.02 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 -0.23 0.45 -6.12 0.72 0.00 -1.99 -3.43 103.07 92.46 2g5m h GLY 85 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 47.33 46.71 2g5m h GLY 85 CO 0.00 0.33 -0.69 -1.60 0.00 0.00 0.00 176.54 174.58 2g5m s ARG 86 N -4.48 0.01 0.13 4.80 3.52 -1.26 -0.10 118.95 121.56 2g5m s ARG 86 Ca -0.06 0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.71 2g5m s ARG 86 Cb 0.14 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.34 2g5m s ARG 86 CO 0.78 -0.11 0.04 0.14 -0.81 0.00 0.00 175.30 175.33 2g5m s VAL 87 N 0.73 0.23 0.22 7.11 -7.23 -0.87 -4.99 120.40 115.59 2g5m s VAL 87 Ca -0.06 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 2g5m s VAL 87 Cb -0.08 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 2g5m s VAL 87 CO -0.02 -0.53 0.35 -0.13 -0.31 0.00 0.00 175.10 174.45 2g5m s ARG 88 N -4.01 3.44 0.03 4.82 0.52 -1.26 -1.94 118.95 120.55 2g5m s ARG 88 Ca 0.22 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 2g5m s ARG 88 Cb 0.07 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 2g5m s ARG 88 CO 0.01 0.45 0.03 -0.06 0.02 0.00 0.00 175.30 175.75 2g5m s PHE 89 N -1.93 0.25 -0.38 -0.53 0.08 0.13 -0.45 117.98 115.15 2g5m s PHE 89 Ca 0.34 -0.54 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 2g5m s PHE 89 Cb -0.09 -0.18 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 2g5m s PHE 89 CO 0.29 -0.28 0.34 -1.64 -0.10 0.00 0.00 175.22 173.82 2g5m s MET 90 N -2.16 3.30 -0.31 0.44 -1.94 0.17 -0.14 119.30 118.67 2g5m s MET 90 Ca -0.09 -0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 2g5m s MET 90 Cb -0.04 -3.88 -0.02 0.00 2.01 0.00 0.00 34.83 32.89 2g5m s MET 90 CO -0.03 -0.63 0.19 0.42 -0.01 0.00 0.00 175.02 174.95 2g5m s ILE 91 N 1.89 5.01 -0.50 2.53 1.09 0.77 -1.15 121.20 130.85 2g5m s ILE 91 Ca 0.09 -0.16 -0.13 0.00 -1.10 0.00 0.00 60.65 59.35 2g5m s ILE 91 Cb -0.17 -3.49 0.11 0.00 -1.06 0.00 0.00 42.46 37.85 2g5m s ILE 91 CO 0.11 0.12 0.41 -0.83 -0.10 0.00 0.00 174.94 174.65 2g5m s GLY 92 N 1.69 2.05 -0.87 6.18 0.00 -1.25 -0.47 107.32 114.66 2g5m s GLY 92 Ca 0.06 -2.44 -0.25 0.00 0.00 0.00 0.00 44.72 42.10 2g5m s GLY 92 CO 0.09 1.13 1.59 -1.60 0.00 0.00 0.00 173.10 174.30 2g5m s ARG 93 N 1.51 3.11 -1.25 2.90 6.06 0.35 -4.73 118.95 126.91 2g5m s ARG 93 Ca 0.04 -0.47 -0.17 0.00 -2.50 0.00 0.00 55.73 52.63 2g5m s ARG 93 Cb -0.27 -4.88 0.11 0.00 0.06 0.00 0.00 34.95 29.97 2g5m s ARG 93 CO 0.02 -2.55 1.60 -2.00 -2.50 0.00 0.00 175.30 169.88 2g5m s GLU 94 N 5.94 4.00 0.04 5.12 2.56 -1.26 -1.50 118.70 133.60 2g5m s GLU 94 Ca 0.52 -2.17 -0.31 0.00 0.00 0.00 0.00 54.97 53.01 2g5m s GLU 94 Cb -0.05 -5.35 -0.18 0.00 2.00 0.00 0.00 34.13 30.55 2g5m s GLU 94 CO 0.02 -2.07 1.39 -0.09 -0.56 0.00 0.00 175.26 173.95 2g5m h ARG 95 N 7.53 -0.93 0.00 4.30 2.43 -1.90 -3.46 114.38 122.36 2g5m h ARG 95 Ca 0.39 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2g5m h ARG 95 Cb 0.88 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2g5m h ARG 95 CO 1.37 -0.59 0.00 -0.35 -1.51 0.00 0.00 179.97 178.89 2g5m n PRO 96 N -5.46 1.42 0.00 0.20 -0.04 -1.26 -4.91 135.00 124.96 2g5m n PRO 96 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2g5m n PRO 96 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 2g5m n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2g5m n GLY 97 N 5.00 1.32 2.44 0.55 0.00 -1.26 -4.69 105.19 108.55 2g5m n GLY 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -1.65 0.08 1.61 1.02 -1.26 -4.77 120.64 115.67 2g5m n GLU 98 Ca 0.00 0.64 -0.05 0.00 -0.02 0.00 0.00 57.16 57.73 2g5m n GLU 98 Cb 0.00 -4.77 -0.03 0.00 -0.02 0.00 0.00 31.44 26.62 2g5m n GLU 98 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2g5m h GLN 99 N 0.00 0.00 -5.43 3.49 5.75 -1.93 -3.44 115.11 113.56 2g5m h GLN 99 Ca -0.16 0.00 -0.41 0.00 -0.15 0.00 0.00 58.65 57.92 2g5m h GLN 99 Cb 0.87 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.27 2g5m h GLN 99 CO 0.24 0.87 -0.74 -1.12 -2.65 0.00 0.00 178.83 175.44 2g5m s SER 100 N -6.74 2.28 -0.91 -0.69 0.01 -1.26 -5.08 113.70 101.31 2g5m s SER 100 Ca 0.00 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.28 2g5m s SER 100 Cb 0.11 -0.09 0.26 0.00 0.21 0.00 0.00 66.02 66.50 2g5m s SER 100 CO 0.80 -0.20 0.99 1.21 0.41 0.00 0.00 173.24 176.45 2g5m n GLU 101 N -0.15 3.18 -3.16 12.44 2.13 -1.26 -4.73 120.64 129.10 2g5m n GLU 101 Ca -0.10 -4.54 -0.40 0.00 0.66 0.00 0.00 57.16 52.77 2g5m n GLU 101 Cb 0.60 -2.42 -0.07 0.00 0.27 0.00 0.00 31.44 29.82 2g5m n GLU 101 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2g5m s VAL 102 N -1.98 5.00 -0.26 6.31 1.01 -1.26 -5.02 120.40 124.20 2g5m s VAL 102 Ca 0.31 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 2g5m s VAL 102 Cb 0.00 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.56 2g5m s VAL 102 CO -0.04 0.00 0.11 0.00 0.00 0.00 0.00 175.10 175.18 2g5m s ALA 103 N 2.46 0.66 -0.21 5.51 0.00 -1.26 -4.99 121.76 123.92 2g5m s ALA 103 Ca 0.24 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2g5m s ALA 103 Cb -0.15 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.69 2g5m s ALA 103 CO 0.10 -1.52 0.19 0.94 0.00 0.00 0.00 175.76 175.47 2g5m n GLN 104 N 5.22 -4.33 -2.91 0.00 -0.06 -1.26 -4.93 117.38 109.10 2g5m n GLN 104 Ca -0.06 3.30 -0.42 0.00 -2.00 0.00 0.00 57.00 57.82 2g5m n GLN 104 Cb 0.44 -5.09 -0.05 0.00 -4.06 0.00 0.00 30.24 21.48 2g5m n GLN 104 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2g5m s LEU 105 N -0.88 4.07 0.04 1.69 1.43 -1.26 -4.93 118.68 118.84 2g5m s LEU 105 Ca -0.22 0.90 -0.33 0.00 -1.03 0.00 0.00 54.13 53.45 2g5m s LEU 105 Cb 0.01 -3.14 -0.18 0.00 0.03 0.00 0.00 46.19 42.91 2g5m s LEU 105 CO 0.78 -0.55 1.40 0.40 0.23 0.00 0.00 176.35 178.62 2g5m h ILE 106 N 5.49 0.00 -5.04 -0.59 1.08 -2.06 -3.49 117.51 112.90 2g5m h ILE 106 Ca -0.24 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2g5m h ILE 106 Cb 1.09 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.77 2g5m h ILE 106 CO 0.87 0.00 -1.34 1.67 -0.69 0.00 0.00 178.15 178.67 2g5m n GLN 107 N -5.40 -4.12 -1.90 2.37 7.27 -1.26 -4.81 117.38 109.53 2g5m n GLN 107 Ca -0.15 3.17 -0.40 0.00 0.07 0.00 0.00 57.00 59.70 2g5m n GLN 107 Cb 0.46 -5.20 -0.03 0.00 2.41 0.00 0.00 30.24 27.88 2g5m n GLN 107 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2g5m s GLN 108 N -1.10 2.77 0.37 3.69 -0.21 -1.26 -4.81 119.66 119.10 2g5m s GLN 108 Ca -0.16 1.11 0.16 0.00 0.02 0.00 0.00 55.36 56.48 2g5m s GLN 108 Cb 0.01 -4.37 0.70 0.00 1.00 0.00 0.00 33.01 30.35 2g5m s GLN 108 CO 0.79 -2.54 1.77 0.00 -2.12 0.00 0.00 175.29 173.19 2g5m h THR 109 N 7.04 1.09 0.00 -0.19 1.03 -1.99 -2.58 112.91 117.31 2g5m h THR 109 Ca -0.29 -1.48 -0.26 0.00 -0.01 0.00 0.00 66.41 64.37 2g5m h THR 109 Cb 1.19 1.85 -0.05 0.00 -1.07 0.00 0.00 68.15 70.07 2g5m h THR 109 CO 1.13 0.39 -2.14 0.18 -0.01 0.00 0.00 175.52 175.08 2g5m n LEU 110 N -3.77 0.17 -2.58 0.00 4.77 -1.26 -5.04 117.00 109.28 2g5m n LEU 110 Ca -0.01 0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 2g5m n LEU 110 Cb 0.47 0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 2g5m n LEU 110 CO 0.38 0.34 0.06 1.21 -1.33 0.00 0.00 177.39 178.05 2g5m n GLU 111 N -2.68 -1.79 -0.76 3.23 2.13 -0.98 -4.87 120.64 114.91 2g5m n GLU 111 Ca -0.23 1.73 0.10 0.00 0.66 0.00 0.00 57.16 59.43 2g5m n GLU 111 Cb 0.99 -4.81 -0.03 0.00 0.27 0.00 0.00 31.44 27.86 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 -0.48 -1.54 0.00 5.31 6.02 -1.26 -5.12 117.38 120.31 2g5m n GLN 112 Ca 0.08 1.01 0.15 0.00 -0.01 0.00 0.00 57.00 58.23 2g5m n GLN 112 Cb 0.38 -1.88 0.65 0.00 1.02 0.00 0.00 30.24 30.41 2g5m n GLN 112 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44