#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 n LYS 2 N 0.00 4.78 0.00 -0.67 5.02 -1.12 -4.70 118.16 121.47 1mg3 n LYS 2 Ca 0.00 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.15 1mg3 n LYS 2 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1mg3 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mg3 n ALA 3 N 0.67 0.00 -2.25 7.82 0.00 -1.26 -2.69 120.51 122.81 1mg3 n ALA 3 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1mg3 n ALA 3 Cb 1.17 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.52 1mg3 n ALA 3 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mg3 s THR 4 N -2.00 0.61 -0.50 0.00 -4.23 -0.48 -4.88 115.64 104.15 1mg3 s THR 4 Ca 0.00 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1mg3 s THR 4 Cb 0.00 -2.24 0.13 0.00 1.34 0.00 0.00 72.50 71.73 1mg3 s THR 4 CO 0.00 -0.36 0.32 -0.63 -0.54 0.00 0.00 174.62 173.41 1mg3 s ILE 5 N -3.71 3.62 0.53 2.99 1.09 -1.26 -1.96 121.20 122.50 1mg3 s ILE 5 Ca 0.27 -2.33 0.29 0.00 -1.10 0.00 0.00 60.65 57.79 1mg3 s ILE 5 Cb 0.07 -3.42 0.46 0.00 -1.06 0.00 0.00 42.46 38.50 1mg3 s ILE 5 CO 0.06 -0.78 1.92 -0.65 -0.10 0.00 0.00 174.94 175.40 1mg3 h PRO 6 N 7.76 0.01 -2.85 2.79 0.11 -1.97 -3.37 132.00 134.47 1mg3 h PRO 6 Ca -0.10 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.77 1mg3 h PRO 6 Cb 1.02 -0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.79 1mg3 h PRO 6 CO 0.73 0.01 -0.56 0.45 -0.21 0.00 0.00 178.00 178.41 1mg3 s SER 7 N -5.81 0.56 0.13 -2.05 0.15 -1.26 -5.05 113.70 100.36 1mg3 s SER 7 Ca -0.05 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 1mg3 s SER 7 Cb 0.21 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1mg3 s SER 7 CO 0.76 -0.25 1.70 -0.08 1.20 0.00 0.00 173.24 176.56 1mg3 h GLU 8 N 8.31 -0.01 -6.31 5.44 4.81 -1.96 -3.44 114.58 121.42 1mg3 h GLU 8 Ca -0.14 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.45 1mg3 h GLU 8 Cb 1.12 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.39 1mg3 h GLU 8 CO 0.16 -0.01 -0.64 -1.12 -0.73 0.00 0.00 179.01 176.67 1mg3 s SER 9 N -5.20 5.13 0.30 1.04 0.01 -1.26 -4.73 113.70 108.99 1mg3 s SER 9 Ca -0.14 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1mg3 s SER 9 Cb 0.11 -1.25 -0.12 0.00 0.21 0.00 0.00 66.02 64.97 1mg3 s SER 9 CO 0.69 0.16 1.50 -0.81 0.41 0.00 0.00 173.24 175.18 1mg3 n PRO 10 N 0.41 2.49 -4.34 12.44 -0.04 -1.26 -4.96 135.00 139.75 1mg3 n PRO 10 Ca -0.10 0.88 -0.27 0.00 -0.04 0.00 0.00 63.50 63.97 1mg3 n PRO 10 Cb 0.52 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 1mg3 n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1mg3 s PHE 11 N -0.37 2.51 0.35 0.54 -0.71 -0.86 -4.83 117.98 114.61 1mg3 s PHE 11 Ca 0.62 -0.27 -0.25 0.00 -1.04 0.00 0.00 56.93 55.98 1mg3 s PHE 11 Cb -0.53 -1.24 -0.14 0.00 -1.21 0.00 0.00 43.02 39.90 1mg3 s PHE 11 CO 0.53 0.49 0.68 0.00 -1.34 0.00 0.00 175.22 175.59 1mg3 n ALA 12 N 0.20 -1.35 0.21 1.99 0.00 -1.26 -0.32 120.51 119.97 1mg3 n ALA 12 Ca -0.12 0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1mg3 n ALA 12 Cb 0.55 -1.82 0.50 0.00 0.00 0.00 0.00 19.45 18.68 1mg3 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg3 h ALA 13 N 1.18 1.71 -0.84 0.00 0.00 -1.48 -3.04 119.26 116.78 1mg3 h ALA 13 Ca -0.38 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.59 1mg3 h ALA 13 Cb 1.39 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1mg3 h ALA 13 CO 0.55 0.22 0.18 0.00 0.00 0.00 0.00 179.25 180.20 1mg3 h ALA 14 N 1.81 1.14 0.00 0.00 0.00 -1.88 0.13 119.26 120.46 1mg3 h ALA 14 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1mg3 h ALA 14 Cb 0.29 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1mg3 h ALA 14 CO 0.02 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.22 1mg3 n GLU 15 N -5.25 0.53 -2.59 0.00 1.02 -1.15 -4.81 120.64 108.38 1mg3 n GLU 15 Ca 0.19 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 1mg3 n GLU 15 Cb 0.61 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1mg3 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mg3 s VAL 16 N -2.00 4.54 0.13 2.62 1.01 0.45 -4.98 120.40 122.19 1mg3 s VAL 16 Ca 0.00 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1mg3 s VAL 16 Cb 0.00 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1mg3 s VAL 16 CO 0.00 0.09 1.84 0.00 0.00 0.00 0.00 175.10 177.03 1mg3 s ALA 17 N 1.42 3.79 0.12 5.51 0.00 -1.26 -4.93 121.76 126.40 1mg3 s ALA 17 Ca 0.54 1.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.67 1mg3 s ALA 17 Cb -0.23 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 1mg3 s ALA 17 CO 0.25 -1.22 1.49 0.16 0.00 0.00 0.00 175.76 176.45 1mg3 s ASP 18 N 2.63 6.71 0.00 0.00 1.47 -1.26 -1.37 116.67 124.85 1mg3 s ASP 18 Ca 0.81 2.44 0.00 0.00 1.18 0.00 0.00 52.55 56.98 1mg3 s ASP 18 Cb -0.47 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 39.53 1mg3 s ASP 18 CO 0.36 -0.75 0.00 0.61 0.68 0.00 0.00 175.17 176.07 1mg3 n GLY 19 N 3.67 1.52 3.75 2.12 0.00 -1.26 -5.02 105.19 109.96 1mg3 n GLY 19 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1mg3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 s ALA 20 N -2.60 3.37 -0.03 4.61 0.00 -0.47 -4.94 121.76 121.70 1mg3 s ALA 20 Ca 0.00 0.81 -0.38 0.00 0.00 0.00 0.00 51.96 52.39 1mg3 s ALA 20 Cb 0.00 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.64 1mg3 s ALA 20 CO 0.00 -0.14 1.51 -0.89 0.00 0.00 0.00 175.76 176.24 1mg3 n ILE 21 N 1.93 0.12 -4.16 0.00 5.41 -1.26 -4.94 119.36 116.47 1mg3 n ILE 21 Ca 0.01 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.58 1mg3 n ILE 21 Cb 0.46 -1.04 -0.14 0.00 -0.71 0.00 0.00 39.64 38.21 1mg3 n ILE 21 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1mg3 s VAL 22 N 1.64 0.45 -0.45 1.39 1.01 -1.26 -1.89 120.40 121.30 1mg3 s VAL 22 Ca 0.89 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1mg3 s VAL 22 Cb -0.96 -0.40 0.14 0.00 0.00 0.00 0.00 36.38 35.15 1mg3 s VAL 22 CO 0.52 0.05 0.24 -0.69 0.00 0.00 0.00 175.10 175.22 1mg3 s VAL 23 N -0.31 1.51 0.78 2.92 1.01 -1.05 -4.93 120.40 120.33 1mg3 s VAL 23 Ca 0.00 -2.63 -0.14 0.00 0.00 0.00 0.00 61.98 59.21 1mg3 s VAL 23 Cb -0.03 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1mg3 s VAL 23 CO -0.00 -0.89 1.20 0.47 0.00 0.00 0.00 175.10 175.88 1mg3 n ASP 24 N 3.49 1.16 -4.03 3.32 8.00 -1.26 -3.07 116.55 124.17 1mg3 n ASP 24 Ca 0.08 0.63 -0.25 0.00 0.71 0.00 0.00 54.79 55.96 1mg3 n ASP 24 Cb 0.34 -1.51 -0.17 0.00 -0.02 0.00 0.00 41.12 39.77 1mg3 n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mg3 s ILE 25 N -1.99 1.21 0.03 0.53 1.01 0.08 -2.43 121.20 119.65 1mg3 s ILE 25 Ca 0.75 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 1mg3 s ILE 25 Cb -0.31 -1.11 0.10 0.00 0.01 0.00 0.00 42.46 41.15 1mg3 s ILE 25 CO 0.49 0.37 1.05 0.00 0.00 0.00 0.00 174.94 176.85 1mg3 s ALA 26 N 0.72 -1.88 -1.61 9.38 0.00 -0.94 -0.71 121.76 126.72 1mg3 s ALA 26 Ca -0.13 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 1mg3 s ALA 26 Cb -0.16 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.47 1mg3 s ALA 26 CO 0.03 -0.89 0.49 1.63 0.00 0.00 0.00 175.76 177.01 1mg3 n LYS 27 N -0.36 -2.38 -3.65 0.00 4.76 -1.26 -1.00 118.16 114.27 1mg3 n LYS 27 Ca -0.06 0.29 -0.23 0.00 -2.87 0.00 0.00 58.31 55.44 1mg3 n LYS 27 Cb 0.61 -4.56 0.06 0.00 -1.84 0.00 0.00 35.03 29.30 1mg3 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1mg3 n MET 28 N -4.39 -6.30 -3.60 1.97 2.81 -1.26 -4.99 117.12 101.36 1mg3 n MET 28 Ca -0.12 0.73 -0.07 0.00 -1.81 0.00 0.00 57.70 56.43 1mg3 n MET 28 Cb 0.59 -5.61 -0.05 0.00 -0.71 0.00 0.00 33.22 27.44 1mg3 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mg3 s LYS 29 N -6.04 0.40 -0.94 0.03 -2.85 -0.17 -4.86 119.74 105.31 1mg3 s LYS 29 Ca 0.29 0.11 -0.24 0.00 -1.00 0.00 0.00 55.97 55.14 1mg3 s LYS 29 Cb -0.14 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1mg3 s LYS 29 CO 0.77 -0.12 1.46 0.71 0.10 0.00 0.00 175.35 178.27 1mg3 s TYR 30 N -1.00 2.41 0.48 1.78 2.02 -1.26 -2.20 117.35 119.57 1mg3 s TYR 30 Ca 0.02 -0.53 0.39 0.00 -0.37 0.00 0.00 57.07 56.58 1mg3 s TYR 30 Cb -0.01 -4.62 1.35 0.00 -0.40 0.00 0.00 41.96 38.27 1mg3 s TYR 30 CO -0.02 -1.96 1.29 0.39 -1.57 0.00 0.00 175.55 173.67 1mg3 n GLU 31 N 9.00 0.00 -3.86 -0.62 -0.58 -1.02 -2.12 120.64 121.44 1mg3 n GLU 31 Ca 0.27 0.92 -0.29 0.00 -0.42 0.00 0.00 57.16 57.64 1mg3 n GLU 31 Cb 0.50 -2.15 -0.13 0.00 -0.57 0.00 0.00 31.44 29.10 1mg3 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1mg3 s THR 32 N -4.48 2.45 0.38 2.62 2.01 -1.26 -4.98 115.64 112.37 1mg3 s THR 32 Ca -0.04 -3.69 0.06 0.00 0.31 0.00 0.00 61.69 58.33 1mg3 s THR 32 Cb 0.21 -2.65 0.22 0.00 0.01 0.00 0.00 72.50 70.29 1mg3 s THR 32 CO 0.69 -0.95 1.98 1.55 -0.69 0.00 0.00 174.62 177.20 1mg3 h PRO 33 N 5.88 0.54 -2.22 4.92 0.13 -1.76 -3.33 132.00 136.17 1mg3 h PRO 33 Ca 0.07 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 1mg3 h PRO 33 Cb 0.82 -0.10 -0.42 0.00 0.13 0.00 0.00 31.00 31.43 1mg3 h PRO 33 CO 0.66 0.45 -0.75 -1.91 -0.23 0.00 0.00 178.00 176.22 1mg3 n GLU 34 N -4.39 2.72 -1.91 0.86 2.13 -1.26 -0.60 120.64 118.19 1mg3 n GLU 34 Ca 0.03 -4.54 -0.41 0.00 0.66 0.00 0.00 57.16 52.89 1mg3 n GLU 34 Cb 0.14 -2.12 -0.02 0.00 0.27 0.00 0.00 31.44 29.71 1mg3 n GLU 34 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1mg3 s LEU 35 N -3.15 4.37 -0.22 4.31 0.20 -0.93 -4.84 118.68 118.42 1mg3 s LEU 35 Ca 0.46 2.78 -0.03 0.00 0.69 0.00 0.00 54.13 58.03 1mg3 s LEU 35 Cb 0.28 -3.63 -0.00 0.00 -0.43 0.00 0.00 46.19 42.41 1mg3 s LEU 35 CO -0.12 -0.80 -0.06 -1.00 -0.29 0.00 0.00 176.35 174.08 1mg3 s HIS 36 N 0.07 2.94 0.22 5.38 3.76 -1.26 -1.02 115.29 125.38 1mg3 s HIS 36 Ca 0.62 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1mg3 s HIS 36 Cb -0.44 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 1mg3 s HIS 36 CO 0.44 -0.59 -0.03 0.14 -0.85 0.00 0.00 174.74 173.85 1mg3 s VAL 37 N 1.45 1.14 0.18 -0.90 -7.23 0.95 -4.98 120.40 111.02 1mg3 s VAL 37 Ca 0.05 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1mg3 s VAL 37 Cb -0.14 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1mg3 s VAL 37 CO -0.05 -0.41 -0.00 -1.59 -0.31 0.00 0.00 175.10 172.74 1mg3 s LYS 38 N -3.82 2.39 -0.31 4.82 -2.85 -1.26 0.24 119.74 118.94 1mg3 s LYS 38 Ca 0.26 -1.14 -0.41 0.00 -1.00 0.00 0.00 55.97 53.69 1mg3 s LYS 38 Cb 0.05 -2.34 -0.16 0.00 -2.06 0.00 0.00 37.83 33.32 1mg3 s LYS 38 CO 0.07 0.45 1.77 0.28 0.10 0.00 0.00 175.35 178.02 1mg3 n VAL 39 N -0.19 0.27 0.00 1.79 0.31 -1.26 -1.91 118.33 117.34 1mg3 n VAL 39 Ca -0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1mg3 n VAL 39 Cb 0.55 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 1mg3 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mg3 n GLY 40 N 4.41 0.95 3.46 2.92 0.00 -0.92 -5.07 105.19 110.94 1mg3 n GLY 40 Ca 0.28 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 1mg3 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mg3 n ASP 41 N 0.00 -1.52 -3.75 1.61 8.00 -0.80 -4.70 116.55 115.39 1mg3 n ASP 41 Ca 0.00 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.48 1mg3 n ASP 41 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 41.12 39.71 1mg3 n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1mg3 s THR 42 N -2.44 1.43 0.26 -3.53 2.01 -1.26 -2.32 115.64 109.79 1mg3 s THR 42 Ca 0.60 -2.34 -0.30 0.00 0.31 0.00 0.00 61.69 59.97 1mg3 s THR 42 Cb -0.21 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1mg3 s THR 42 CO 0.65 -0.82 1.31 -0.69 -0.69 0.00 0.00 174.62 174.38 1mg3 s VAL 43 N 0.63 2.97 -0.28 3.82 1.01 -1.00 -4.41 120.40 123.13 1mg3 s VAL 43 Ca 0.15 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1mg3 s VAL 43 Cb -0.23 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1mg3 s VAL 43 CO -0.06 0.17 0.05 -0.89 0.00 0.00 0.00 175.10 174.37 1mg3 s THR 44 N -0.47 1.17 0.24 3.92 2.01 -0.79 -1.30 115.64 120.42 1mg3 s THR 44 Ca 0.53 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1mg3 s THR 44 Cb -0.38 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1mg3 s THR 44 CO 0.45 -0.46 1.10 0.26 -0.69 0.00 0.00 174.62 175.27 1mg3 s TRP 45 N 1.50 3.60 -0.06 4.92 0.51 -0.80 -2.53 118.94 126.08 1mg3 s TRP 45 Ca 0.05 1.66 -0.00 0.00 -2.12 0.00 0.00 56.10 55.69 1mg3 s TRP 45 Cb -0.18 -3.27 0.03 0.00 -0.81 0.00 0.00 33.47 29.23 1mg3 s TRP 45 CO -0.16 -0.55 -0.02 0.42 -0.51 0.00 0.00 176.95 176.13 1mg3 s ILE 46 N -0.82 0.42 0.16 2.03 1.01 -1.17 -1.76 121.20 121.07 1mg3 s ILE 46 Ca 0.46 0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.86 1mg3 s ILE 46 Cb -0.31 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 1mg3 s ILE 46 CO 0.38 0.24 0.84 0.21 0.00 0.00 0.00 174.94 176.61 1mg3 s ASN 47 N 1.47 7.45 0.00 3.58 3.84 -0.50 -0.74 114.94 130.04 1mg3 s ASN 47 Ca -0.03 1.72 0.02 0.00 0.21 0.00 0.00 52.86 54.78 1mg3 s ASN 47 Cb -0.13 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1mg3 s ASN 47 CO -0.03 0.14 0.45 0.54 -2.79 0.00 0.00 177.10 175.41 1mg3 n ARG 48 N 1.87 0.89 -4.60 0.43 5.12 0.11 -0.45 116.66 120.03 1mg3 n ARG 48 Ca -0.03 -0.48 -0.27 0.00 -1.93 0.00 0.00 57.85 55.14 1mg3 n ARG 48 Cb 0.48 -0.93 -0.10 0.00 -1.16 0.00 0.00 32.46 30.75 1mg3 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1mg3 s GLU 49 N -0.39 1.94 0.19 5.56 -1.05 -1.26 -4.77 118.70 118.93 1mg3 s GLU 49 Ca 0.02 -2.15 -0.07 0.00 -0.15 0.00 0.00 54.97 52.61 1mg3 s GLU 49 Cb 0.02 -1.28 0.10 0.00 -0.44 0.00 0.00 34.13 32.53 1mg3 s GLU 49 CO 0.03 -0.23 1.62 0.00 0.95 0.00 0.00 175.26 177.64 1mg3 h ALA 50 N 1.74 0.82 -2.22 -0.84 0.00 -1.97 -3.16 119.26 113.64 1mg3 h ALA 50 Ca -0.42 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 53.58 1mg3 h ALA 50 Cb 1.27 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.89 1mg3 h ALA 50 CO 0.73 0.66 1.21 -0.12 0.00 0.00 0.00 179.25 181.73 1mg3 n MET 51 N -4.14 2.59 -2.23 0.00 0.00 -1.26 -4.46 117.12 107.63 1mg3 n MET 51 Ca 0.01 0.94 -0.41 0.00 0.00 0.00 0.00 57.70 58.24 1mg3 n MET 51 Cb 0.41 -2.91 -0.03 0.00 0.00 0.00 0.00 33.22 30.69 1mg3 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1mg3 s PRO 52 N 4.50 4.43 0.27 2.12 0.02 -1.26 -4.82 135.00 140.26 1mg3 s PRO 52 Ca 0.91 2.08 0.02 0.00 0.02 0.00 0.00 61.00 64.03 1mg3 s PRO 52 Cb -0.51 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 1mg3 s PRO 52 CO 0.45 -0.12 0.14 -1.01 -0.33 0.00 0.00 177.00 176.13 1mg3 s HIS 53 N -0.75 1.51 0.22 6.54 3.76 -0.96 -4.91 115.29 120.69 1mg3 s HIS 53 Ca 0.50 -1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 53.99 1mg3 s HIS 53 Cb -0.37 -0.81 0.04 0.00 1.11 0.00 0.00 32.58 32.55 1mg3 s HIS 53 CO 0.46 -0.49 0.55 0.27 -0.85 0.00 0.00 174.74 174.68 1mg3 n ASN 54 N -0.68 -1.38 -4.28 1.40 6.94 -1.26 0.17 115.26 116.16 1mg3 n ASN 54 Ca 0.01 -1.90 -0.30 0.00 -0.02 0.00 0.00 54.58 52.36 1mg3 n ASN 54 Cb 0.65 2.29 -0.16 0.00 -2.36 0.00 0.00 39.78 40.20 1mg3 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1mg3 s VAL 55 N -2.37 1.96 -0.16 3.53 -7.23 -1.26 -4.28 120.40 110.59 1mg3 s VAL 55 Ca 0.11 -1.05 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1mg3 s VAL 55 Cb -0.03 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.34 1mg3 s VAL 55 CO 0.07 0.55 0.09 -2.28 -0.31 0.00 0.00 175.10 173.22 1mg3 s HIS 56 N -0.49 0.16 -0.23 2.82 5.04 0.17 -1.35 115.29 121.41 1mg3 s HIS 56 Ca 0.07 -0.25 -0.09 0.00 -1.54 0.00 0.00 55.06 53.25 1mg3 s HIS 56 Cb -0.10 -0.66 -0.04 0.00 0.04 0.00 0.00 32.58 31.81 1mg3 s HIS 56 CO -0.00 -0.49 0.13 -0.06 -2.34 0.00 0.00 174.74 171.98 1mg3 s PHE 57 N 2.15 3.26 1.20 3.88 0.40 -0.49 -1.73 117.98 126.65 1mg3 s PHE 57 Ca 0.02 0.09 -0.13 0.00 -0.60 0.00 0.00 56.93 56.31 1mg3 s PHE 57 Cb -0.16 -2.23 0.30 0.00 0.51 0.00 0.00 43.02 41.45 1mg3 s PHE 57 CO -0.09 0.01 1.01 0.14 0.70 0.00 0.00 175.22 177.00 1mg3 s VAL 58 N 1.03 1.96 0.35 -0.44 -7.23 -1.26 -0.09 120.40 114.73 1mg3 s VAL 58 Ca 0.06 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.95 1mg3 s VAL 58 Cb -0.14 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.66 1mg3 s VAL 58 CO 0.04 0.00 1.31 0.00 -0.31 0.00 0.00 175.10 176.14 1mg3 s ALA 59 N -2.43 3.44 0.00 1.32 0.00 -1.26 -3.23 121.76 119.60 1mg3 s ALA 59 Ca 0.69 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1mg3 s ALA 59 Cb -0.25 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1mg3 s ALA 59 CO 0.65 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1mg3 n GLY 60 N 0.76 0.53 0.00 0.00 0.00 0.76 -4.86 105.19 102.38 1mg3 n GLY 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mg3 n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mg3 n VAL 61 N -2.00 0.00 -0.29 1.61 0.31 -1.20 -4.51 118.33 112.25 1mg3 n VAL 61 Ca 0.00 0.40 -0.02 0.00 -0.01 0.00 0.00 64.34 64.71 1mg3 n VAL 61 Cb 0.00 -1.33 0.22 0.00 -0.91 0.00 0.00 33.84 31.82 1mg3 n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1mg3 n LEU 62 N -2.08 4.49 0.00 7.52 4.77 -1.26 -4.80 117.00 125.63 1mg3 n LEU 62 Ca 0.00 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1mg3 n LEU 62 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1mg3 n LEU 62 CO 0.00 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1mg3 n GLY 63 N 0.10 0.64 0.16 -0.72 0.00 -1.26 -2.73 105.19 101.39 1mg3 n GLY 63 Ca 0.24 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 1mg3 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mg3 h GLU 64 N 6.07 0.06 -6.27 1.61 3.07 -1.93 0.22 114.58 117.40 1mg3 h GLU 64 Ca 0.00 -0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.39 1mg3 h GLU 64 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1mg3 h GLU 64 CO 0.00 0.04 -0.37 0.00 -1.40 0.00 0.00 179.01 177.28 1mg3 s ALA 65 N -6.19 4.12 0.53 3.43 0.00 -1.26 -3.46 121.76 118.92 1mg3 s ALA 65 Ca -0.14 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 1mg3 s ALA 65 Cb 0.14 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.79 1mg3 s ALA 65 CO 0.71 -0.08 1.01 0.00 0.00 0.00 0.00 175.76 177.39 1mg3 s ALA 66 N -2.29 2.96 -0.50 0.00 0.00 -1.26 -4.17 121.76 116.49 1mg3 s ALA 66 Ca 0.45 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1mg3 s ALA 66 Cb -0.07 -3.16 0.13 0.00 0.00 0.00 0.00 23.12 20.01 1mg3 s ALA 66 CO 0.29 -0.37 0.37 -1.17 0.00 0.00 0.00 175.76 174.88 1mg3 s LEU 67 N -4.08 5.67 -1.19 0.00 0.20 0.87 -4.88 118.68 115.28 1mg3 s LEU 67 Ca 0.61 -2.08 -0.11 0.00 0.69 0.00 0.00 54.13 53.24 1mg3 s LEU 67 Cb -0.12 -1.99 0.21 0.00 -0.43 0.00 0.00 46.19 43.86 1mg3 s LEU 67 CO 0.31 -0.64 1.42 0.29 -0.29 0.00 0.00 176.35 177.44 1mg3 n LYS 68 N 4.66 3.54 -0.84 1.98 4.01 -1.26 -1.39 118.16 128.86 1mg3 n LYS 68 Ca -0.04 -4.03 -0.34 0.00 -0.51 0.00 0.00 58.31 53.39 1mg3 n LYS 68 Cb 0.41 -2.85 0.10 0.00 -0.51 0.00 0.00 35.03 32.18 1mg3 n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mg3 n GLY 69 N 3.30 -2.84 3.83 0.72 0.00 -0.45 -4.95 105.19 104.79 1mg3 n GLY 69 Ca 0.33 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 1mg3 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mg3 s PRO 70 N -3.05 3.78 -0.08 1.61 0.04 -1.26 -4.59 135.00 131.44 1mg3 s PRO 70 Ca 0.51 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1mg3 s PRO 70 Cb -0.15 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1mg3 s PRO 70 CO 0.71 -0.42 1.20 -1.64 0.04 0.00 0.00 177.00 176.89 1mg3 s MET 71 N -4.01 4.33 -0.16 4.56 -1.94 -1.26 -4.50 119.30 116.32 1mg3 s MET 71 Ca 0.61 1.66 -0.16 0.00 -1.71 0.00 0.00 55.69 56.09 1mg3 s MET 71 Cb -0.12 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 1mg3 s MET 71 CO 0.32 -0.49 0.38 -1.64 -0.01 0.00 0.00 175.02 173.58 1mg3 s MET 72 N 2.43 4.26 0.81 2.03 -1.94 0.44 -4.88 119.30 122.45 1mg3 s MET 72 Ca 0.55 0.23 -0.08 0.00 -1.71 0.00 0.00 55.69 54.69 1mg3 s MET 72 Cb -0.24 -3.46 0.15 0.00 2.01 0.00 0.00 34.83 33.29 1mg3 s MET 72 CO 0.20 0.13 1.13 0.15 -0.01 0.00 0.00 175.02 176.62 1mg3 s LYS 73 N 0.76 1.33 0.10 2.03 1.02 -1.26 -2.28 119.74 121.44 1mg3 s LYS 73 Ca 0.20 -0.73 -0.36 0.00 0.02 0.00 0.00 55.97 55.10 1mg3 s LYS 73 Cb -0.14 -2.12 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 1mg3 s LYS 73 CO 0.07 -1.80 1.47 1.17 -0.92 0.00 0.00 175.35 175.34 1mg3 n LYS 74 N -3.21 1.59 -3.19 1.68 4.81 -1.20 -2.20 118.16 116.44 1mg3 n LYS 74 Ca 0.14 0.57 -0.15 0.00 -0.87 0.00 0.00 58.31 58.00 1mg3 n LYS 74 Cb 0.60 -2.28 0.06 0.00 0.02 0.00 0.00 35.03 33.43 1mg3 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mg3 n GLU 75 N 3.14 -5.26 -4.36 1.64 -0.58 0.40 -4.98 120.64 110.63 1mg3 n GLU 75 Ca 0.18 0.57 -0.22 0.00 -0.42 0.00 0.00 57.16 57.28 1mg3 n GLU 75 Cb 0.23 -4.82 -0.11 0.00 -0.57 0.00 0.00 31.44 26.17 1mg3 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1mg3 s GLN 76 N -5.67 1.36 0.29 3.49 -0.21 -0.94 -1.25 119.66 116.74 1mg3 s GLN 76 Ca 0.30 -1.51 0.04 0.00 0.02 0.00 0.00 55.36 54.22 1mg3 s GLN 76 Cb -0.13 -1.37 -0.06 0.00 1.00 0.00 0.00 33.01 32.44 1mg3 s GLN 76 CO 0.50 0.27 0.02 0.00 -2.12 0.00 0.00 175.29 173.96 1mg3 s ALA 77 N -2.30 2.22 -0.27 6.09 0.00 0.56 -1.41 121.76 126.64 1mg3 s ALA 77 Ca 0.19 -1.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 1mg3 s ALA 77 Cb -0.05 0.54 0.11 0.00 0.00 0.00 0.00 23.12 23.72 1mg3 s ALA 77 CO 0.08 -0.25 0.61 -0.47 0.00 0.00 0.00 175.76 175.73 1mg3 s TYR 78 N -3.28 -1.18 0.25 0.00 5.04 -0.73 -2.03 117.35 115.42 1mg3 s TYR 78 Ca 0.33 2.13 0.07 0.00 -2.44 0.00 0.00 57.07 57.16 1mg3 s TYR 78 Cb 0.07 0.67 -0.04 0.00 0.35 0.00 0.00 41.96 43.02 1mg3 s TYR 78 CO 0.13 -0.60 0.16 -1.12 -1.34 0.00 0.00 175.55 172.78 1mg3 s SER 79 N 2.56 5.37 -0.20 4.32 0.01 -1.26 -1.90 113.70 122.60 1mg3 s SER 79 Ca -0.06 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 1mg3 s SER 79 Cb -0.11 -1.32 0.10 0.00 0.21 0.00 0.00 66.02 64.91 1mg3 s SER 79 CO -0.18 -0.02 0.32 -0.76 0.41 0.00 0.00 173.24 173.01 1mg3 s LEU 80 N -3.75 -0.44 -0.45 2.44 1.43 -0.42 -4.13 118.68 113.37 1mg3 s LEU 80 Ca 0.32 0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 1mg3 s LEU 80 Cb -0.08 0.90 0.03 0.00 0.03 0.00 0.00 46.19 47.07 1mg3 s LEU 80 CO 0.24 -0.28 0.90 -0.89 0.23 0.00 0.00 176.35 176.55 1mg3 s THR 81 N 2.48 4.52 -0.37 5.49 2.01 -0.83 -2.39 115.64 126.56 1mg3 s THR 81 Ca 0.06 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 1mg3 s THR 81 Cb -0.14 -4.40 0.02 0.00 0.01 0.00 0.00 72.50 67.98 1mg3 s THR 81 CO -0.13 -0.78 1.20 -0.36 -0.69 0.00 0.00 174.62 173.86 1mg3 s PHE 82 N 3.64 2.84 -0.10 4.92 0.40 -0.98 -1.39 117.98 127.31 1mg3 s PHE 82 Ca 0.36 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.57 1mg3 s PHE 82 Cb -0.11 -4.03 -0.02 0.00 0.51 0.00 0.00 43.02 39.37 1mg3 s PHE 82 CO 0.25 -1.32 0.11 1.15 0.70 0.00 0.00 175.22 176.11 1mg3 h THR 83 N 6.02 0.12 -4.11 0.64 2.02 -1.84 -2.45 112.91 113.30 1mg3 h THR 83 Ca -0.24 -1.05 -0.47 0.00 0.77 0.00 0.00 66.41 65.42 1mg3 h THR 83 Cb 1.08 0.23 0.08 0.00 -1.74 0.00 0.00 68.15 67.80 1mg3 h THR 83 CO 1.07 0.04 0.30 -1.61 0.37 0.00 0.00 175.52 175.69 1mg3 s GLU 84 N -1.76 2.39 0.01 6.66 8.01 -1.25 -4.58 118.70 128.19 1mg3 s GLU 84 Ca -0.02 0.03 -0.01 0.00 0.01 0.00 0.00 54.97 54.97 1mg3 s GLU 84 Cb -0.00 -2.10 -0.04 0.00 -4.31 0.00 0.00 34.13 27.68 1mg3 s GLU 84 CO 0.07 -1.20 0.17 0.00 0.01 0.00 0.00 175.26 174.31 1mg3 s ALA 85 N -3.31 3.90 0.00 5.21 0.00 -1.26 -4.86 121.76 121.44 1mg3 s ALA 85 Ca 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1mg3 s ALA 85 Cb -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1mg3 s ALA 85 CO 0.47 0.76 0.00 0.41 0.00 0.00 0.00 175.76 177.40 1mg3 n GLY 86 N 0.79 2.85 3.73 0.00 0.00 0.10 -4.95 105.19 107.71 1mg3 n GLY 86 Ca -0.10 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1mg3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg3 s THR 87 N -1.84 4.70 -0.36 2.61 2.01 -1.26 -1.12 115.64 120.38 1mg3 s THR 87 Ca 0.00 1.87 0.01 0.00 0.31 0.00 0.00 61.69 63.88 1mg3 s THR 87 Cb 0.00 -4.23 0.11 0.00 0.01 0.00 0.00 72.50 68.39 1mg3 s THR 87 CO 0.00 0.29 0.13 -0.31 -0.69 0.00 0.00 174.62 174.05 1mg3 s TYR 88 N 0.26 2.28 0.19 4.92 2.02 -0.83 -4.98 117.35 121.22 1mg3 s TYR 88 Ca 0.44 -2.26 -0.30 0.00 -0.37 0.00 0.00 57.07 54.59 1mg3 s TYR 88 Cb -0.21 -2.07 -0.08 0.00 -0.40 0.00 0.00 41.96 39.20 1mg3 s TYR 88 CO 0.26 -0.86 1.01 -0.51 -1.57 0.00 0.00 175.55 173.88 1mg3 s ASP 89 N 1.03 7.45 0.33 2.29 1.11 -1.26 -2.25 116.67 125.37 1mg3 s ASP 89 Ca 0.13 2.00 0.06 0.00 0.18 0.00 0.00 52.55 54.91 1mg3 s ASP 89 Cb -0.20 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.15 1mg3 s ASP 89 CO -0.13 -0.05 0.23 -0.72 1.18 0.00 0.00 175.17 175.68 1mg3 s TYR 90 N -0.61 1.70 0.25 4.23 1.13 -0.86 -4.60 117.35 118.60 1mg3 s TYR 90 Ca 0.45 -1.56 -0.22 0.00 -1.41 0.00 0.00 57.07 54.34 1mg3 s TYR 90 Cb -0.27 -0.79 0.04 0.00 -1.10 0.00 0.00 41.96 39.84 1mg3 s TYR 90 CO 0.34 -0.73 0.81 -3.38 -2.51 0.00 0.00 175.55 170.08 1mg3 s HIS 91 N -3.47 -0.12 -0.16 -3.49 -3.43 -0.71 -2.11 115.29 101.80 1mg3 s HIS 91 Ca 0.37 -0.32 -0.17 0.00 -0.80 0.00 0.00 55.06 54.14 1mg3 s HIS 91 Cb 0.03 0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 31.85 1mg3 s HIS 91 CO 0.23 -1.15 0.45 0.00 -2.00 0.00 0.00 174.74 172.27 1mg3 h THR 93 N 4.88 0.00 0.00 0.00 2.02 -1.90 -2.25 112.91 115.65 1mg3 h THR 93 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1mg3 h THR 93 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1mg3 h THR 93 CO 0.74 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.82 1mg3 n PRO 94 N -3.69 0.14 -3.66 6.66 -0.04 -1.26 -4.12 135.00 129.03 1mg3 n PRO 94 Ca -0.01 0.35 -0.27 0.00 -0.04 0.00 0.00 63.50 63.53 1mg3 n PRO 94 Cb 0.12 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1mg3 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mg3 n HIS 95 N -2.03 2.71 0.23 0.54 8.25 -0.85 -4.94 115.22 119.13 1mg3 n HIS 95 Ca 0.03 -4.12 0.10 0.00 -0.26 0.00 0.00 57.72 53.47 1mg3 n HIS 95 Cb 0.23 -0.49 0.53 0.00 1.12 0.00 0.00 29.99 31.38 1mg3 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mg3 h PRO 96 N 4.97 0.00 -0.00 -0.41 0.11 -1.71 0.17 132.00 135.13 1mg3 h PRO 96 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1mg3 h PRO 96 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1mg3 h PRO 96 CO 0.70 0.00 -0.13 1.97 -0.21 0.00 0.00 178.00 180.33 1mg3 n PHE 97 N -2.37 0.00 -3.19 0.65 -1.74 -1.26 -4.60 117.46 104.95 1mg3 n PHE 97 Ca -0.01 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.42 1mg3 n PHE 97 Cb 0.33 -0.18 -0.03 0.00 1.52 0.00 0.00 39.48 41.12 1mg3 n PHE 97 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1mg3 s MET 98 N -2.48 3.38 0.23 3.97 -1.94 0.59 -5.04 119.30 118.02 1mg3 s MET 98 Ca 0.28 -1.95 0.05 0.00 -1.71 0.00 0.00 55.69 52.37 1mg3 s MET 98 Cb 0.20 -4.47 -0.03 0.00 2.01 0.00 0.00 34.83 32.54 1mg3 s MET 98 CO 0.48 -1.45 0.33 1.03 -0.01 0.00 0.00 175.02 175.40 1mg3 s ARG 99 N 1.47 3.38 0.20 2.03 3.00 -1.26 -2.30 118.95 125.47 1mg3 s ARG 99 Ca 0.17 -0.77 -0.15 0.00 0.00 0.00 0.00 55.73 54.98 1mg3 s ARG 99 Cb -0.15 -2.86 0.01 0.00 0.00 0.00 0.00 34.95 31.95 1mg3 s ARG 99 CO -0.04 0.44 0.46 0.20 0.00 0.00 0.00 175.30 176.36 1mg3 s GLY 100 N -3.87 0.18 -0.10 -3.53 0.00 -0.90 -4.57 107.32 94.53 1mg3 s GLY 100 Ca 0.34 -0.53 -0.15 0.00 0.00 0.00 0.00 44.72 44.38 1mg3 s GLY 100 CO 0.28 -0.47 0.39 1.25 0.00 0.00 0.00 173.10 174.55 1mg3 s LYS 101 N -3.93 0.57 -0.34 2.90 2.20 0.24 -2.02 119.74 119.36 1mg3 s LYS 101 Ca 0.14 0.30 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1mg3 s LYS 101 Cb -0.00 0.27 0.12 0.00 -1.51 0.00 0.00 37.83 36.70 1mg3 s LYS 101 CO 0.01 -0.11 0.16 0.08 -0.36 0.00 0.00 175.35 175.12 1mg3 s VAL 102 N -0.36 0.51 -0.12 4.02 1.01 -0.95 -2.19 120.40 122.31 1mg3 s VAL 102 Ca -0.05 -1.48 -0.28 0.00 0.00 0.00 0.00 61.98 60.17 1mg3 s VAL 102 Cb -0.03 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1mg3 s VAL 102 CO 0.02 -0.81 0.94 -0.69 0.00 0.00 0.00 175.10 174.57 1mg3 s VAL 103 N 1.42 4.83 -0.29 2.92 1.01 -0.19 -1.97 120.40 128.12 1mg3 s VAL 103 Ca 0.13 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1mg3 s VAL 103 Cb -0.20 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1mg3 s VAL 103 CO -0.18 0.02 0.05 -0.69 0.00 0.00 0.00 175.10 174.30 1mg3 s VAL 104 N 2.01 3.58 0.00 2.92 1.01 -0.28 -0.03 120.40 129.61 1mg3 s VAL 104 Ca 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1mg3 s VAL 104 Cb -0.18 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1mg3 s VAL 104 CO 0.16 0.03 0.49 -0.62 0.00 0.00 0.00 175.10 175.17