#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg2 n LYS 2 N 0.00 0.01 -3.65 -0.67 4.01 0.36 -4.81 118.16 113.42 1mg2 n LYS 2 Ca 0.00 0.01 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 1mg2 n LYS 2 Cb 0.00 -1.51 -0.02 0.00 -0.51 0.00 0.00 35.03 32.99 1mg2 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mg2 s ALA 3 N -3.00 -1.59 0.17 7.82 0.00 -1.26 -0.70 121.76 123.19 1mg2 s ALA 3 Ca 0.13 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.49 1mg2 s ALA 3 Cb 0.18 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1mg2 s ALA 3 CO 0.58 -0.90 -0.16 0.95 0.00 0.00 0.00 175.76 176.24 1mg2 s THR 4 N -3.47 1.65 -0.41 0.00 -4.23 -0.30 -4.94 115.64 103.94 1mg2 s THR 4 Ca 0.08 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1mg2 s THR 4 Cb -0.02 -1.84 0.06 0.00 1.34 0.00 0.00 72.50 72.04 1mg2 s THR 4 CO -0.03 -0.46 0.25 -0.63 -0.54 0.00 0.00 174.62 173.22 1mg2 s ILE 5 N -2.45 4.47 0.28 2.99 1.09 -1.26 -1.29 121.20 125.04 1mg2 s ILE 5 Ca 0.16 -1.15 -0.01 0.00 -1.10 0.00 0.00 60.65 58.55 1mg2 s ILE 5 Cb -0.03 -3.63 0.27 0.00 -1.06 0.00 0.00 42.46 38.01 1mg2 s ILE 5 CO 0.06 -0.41 1.91 -0.65 -0.10 0.00 0.00 174.94 175.74 1mg2 h PRO 6 N 8.46 1.09 -2.63 2.79 0.11 -1.96 -3.40 132.00 136.46 1mg2 h PRO 6 Ca -0.24 -0.07 -0.27 0.00 0.11 0.00 0.00 66.00 65.52 1mg2 h PRO 6 Cb 1.09 -0.25 -0.34 0.00 0.11 0.00 0.00 31.00 31.61 1mg2 h PRO 6 CO 0.74 0.72 -0.59 0.45 -0.21 0.00 0.00 178.00 179.11 1mg2 s SER 7 N -6.00 0.94 0.55 -2.05 0.15 -1.26 -5.03 113.70 101.00 1mg2 s SER 7 Ca -0.12 0.10 0.28 0.00 0.70 0.00 0.00 55.95 56.91 1mg2 s SER 7 Cb 0.20 0.51 1.59 0.00 -1.71 0.00 0.00 66.02 66.61 1mg2 s SER 7 CO 0.81 -0.29 2.14 -0.08 1.20 0.00 0.00 173.24 177.02 1mg2 h GLU 8 N 8.30 0.00 -6.26 5.44 4.22 -1.95 -3.43 114.58 120.91 1mg2 h GLU 8 Ca -0.16 0.00 -0.60 0.00 0.08 0.00 0.00 59.36 58.68 1mg2 h GLU 8 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 1mg2 h GLU 8 CO 0.22 0.07 -0.61 -1.12 -2.18 0.00 0.00 179.01 175.40 1mg2 s SER 9 N -6.19 5.23 0.55 1.04 0.01 -1.26 -4.66 113.70 108.42 1mg2 s SER 9 Ca -0.04 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 1mg2 s SER 9 Cb 0.14 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 1mg2 s SER 9 CO 0.57 0.10 1.17 -2.84 0.41 0.00 0.00 173.24 172.65 1mg2 s PRO 10 N -2.88 3.29 0.39 12.44 0.02 -1.26 -4.92 135.00 142.09 1mg2 s PRO 10 Ca 0.29 1.73 0.05 0.00 0.02 0.00 0.00 61.00 63.08 1mg2 s PRO 10 Cb -0.10 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 1mg2 s PRO 10 CO 0.21 -0.92 0.04 -0.59 -0.33 0.00 0.00 177.00 175.41 1mg2 s PHE 11 N -1.66 2.14 0.29 6.54 -0.71 -0.32 -4.86 117.98 119.40 1mg2 s PHE 11 Ca 0.73 -0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 55.44 1mg2 s PHE 11 Cb -0.27 -1.51 -0.11 0.00 -1.21 0.00 0.00 43.02 39.92 1mg2 s PHE 11 CO 0.31 0.18 1.49 0.00 -1.34 0.00 0.00 175.22 175.85 1mg2 s ALA 12 N -3.00 3.65 0.36 1.99 0.00 -1.26 0.53 121.76 124.03 1mg2 s ALA 12 Ca 0.30 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.76 1mg2 s ALA 12 Cb 0.08 -3.59 0.70 0.00 0.00 0.00 0.00 23.12 20.31 1mg2 s ALA 12 CO 0.14 -0.87 1.96 0.00 0.00 0.00 0.00 175.76 177.00 1mg2 h ALA 13 N 4.49 1.51 -0.39 0.00 0.00 -1.44 -1.96 119.26 121.48 1mg2 h ALA 13 Ca -0.47 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.43 1mg2 h ALA 13 Cb 1.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1mg2 h ALA 13 CO 0.75 0.37 0.31 0.00 0.00 0.00 0.00 179.25 180.68 1mg2 h ALA 14 N 1.60 2.28 0.00 0.00 0.00 -1.91 -0.38 119.26 120.86 1mg2 h ALA 14 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1mg2 h ALA 14 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mg2 h ALA 14 CO -0.01 -0.51 0.00 0.39 0.00 0.00 0.00 179.25 179.12 1mg2 n GLU 15 N -4.24 0.06 -2.49 0.00 1.02 -0.73 -4.76 120.64 109.49 1mg2 n GLU 15 Ca 0.06 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1mg2 n GLU 15 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1mg2 n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mg2 s VAL 16 N -2.92 4.28 0.53 2.62 1.01 -0.16 -5.00 120.40 120.77 1mg2 s VAL 16 Ca 0.13 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.52 1mg2 s VAL 16 Cb 0.14 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1mg2 s VAL 16 CO 0.39 0.06 1.14 0.00 0.00 0.00 0.00 175.10 176.69 1mg2 s ALA 17 N 1.62 2.73 0.49 5.51 0.00 -1.26 -4.98 121.76 125.87 1mg2 s ALA 17 Ca 0.56 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.15 1mg2 s ALA 17 Cb -0.26 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1mg2 s ALA 17 CO 0.25 -0.77 1.26 -0.51 0.00 0.00 0.00 175.76 176.00 1mg2 s ASP 18 N -1.70 5.79 0.00 0.00 -0.00 -1.26 -2.18 116.67 117.32 1mg2 s ASP 18 Ca 0.72 2.54 0.00 0.00 -0.00 0.00 0.00 52.55 55.81 1mg2 s ASP 18 Cb -0.25 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.05 1mg2 s ASP 18 CO 0.28 -1.20 0.00 0.61 -0.00 0.00 0.00 175.17 174.87 1mg2 n GLY 19 N 0.59 2.41 3.71 0.21 0.00 -1.26 -5.02 105.19 105.83 1mg2 n GLY 19 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1mg2 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg2 s ALA 20 N -2.66 1.94 -0.34 4.61 0.00 -0.93 -4.92 121.76 119.46 1mg2 s ALA 20 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1mg2 s ALA 20 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1mg2 s ALA 20 CO 0.00 -2.13 1.06 0.42 0.00 0.00 0.00 175.76 175.12 1mg2 s ILE 21 N -2.29 4.48 0.06 0.00 1.01 -1.26 -5.00 121.20 118.19 1mg2 s ILE 21 Ca 0.70 1.61 0.08 0.00 0.00 0.00 0.00 60.65 63.04 1mg2 s ILE 21 Cb -0.26 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 1mg2 s ILE 21 CO 0.50 -0.55 -0.21 -0.69 0.00 0.00 0.00 174.94 174.00 1mg2 s VAL 22 N 3.73 1.68 -0.24 2.92 1.01 -1.26 -1.00 120.40 127.24 1mg2 s VAL 22 Ca 0.45 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1mg2 s VAL 22 Cb -0.12 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.84 1mg2 s VAL 22 CO 0.18 0.13 -0.09 -0.69 0.00 0.00 0.00 175.10 174.63 1mg2 s VAL 23 N -0.90 1.84 0.33 2.92 1.01 -0.18 -4.93 120.40 120.48 1mg2 s VAL 23 Ca 0.07 -1.34 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 1mg2 s VAL 23 Cb -0.09 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.21 1mg2 s VAL 23 CO 0.02 0.00 0.84 -1.81 0.00 0.00 0.00 175.10 174.16 1mg2 s ASP 24 N 1.27 7.01 -0.14 3.32 1.01 -1.26 -1.97 116.67 125.91 1mg2 s ASP 24 Ca -0.06 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.77 1mg2 s ASP 24 Cb -0.19 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.28 1mg2 s ASP 24 CO -0.06 -0.17 -0.21 -0.63 0.21 0.00 0.00 175.17 174.31 1mg2 s ILE 25 N -1.86 1.99 0.08 0.77 1.01 -0.22 -0.96 121.20 122.01 1mg2 s ILE 25 Ca 0.53 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 1mg2 s ILE 25 Cb -0.13 -1.76 0.08 0.00 0.01 0.00 0.00 42.46 40.66 1mg2 s ILE 25 CO 0.18 0.54 0.77 0.00 0.00 0.00 0.00 174.94 176.43 1mg2 s ALA 26 N 0.87 -1.70 -1.52 9.38 0.00 -0.73 -0.59 121.76 127.47 1mg2 s ALA 26 Ca -0.06 0.71 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1mg2 s ALA 26 Cb -0.15 0.64 0.07 0.00 0.00 0.00 0.00 23.12 23.67 1mg2 s ALA 26 CO -0.03 -0.75 0.69 1.63 0.00 0.00 0.00 175.76 177.31 1mg2 n LYS 27 N -0.32 -3.94 -3.83 0.00 4.76 -1.26 -1.36 118.16 112.20 1mg2 n LYS 27 Ca -0.12 0.46 -0.26 0.00 -2.87 0.00 0.00 58.31 55.53 1mg2 n LYS 27 Cb 0.63 -5.00 0.02 0.00 -1.84 0.00 0.00 35.03 28.85 1mg2 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1mg2 n MET 28 N -4.45 -4.93 -3.48 1.97 2.81 -1.26 -4.97 117.12 102.81 1mg2 n MET 28 Ca -0.11 0.58 -0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1mg2 n MET 28 Cb 0.59 -5.23 -0.03 0.00 -0.71 0.00 0.00 33.22 27.84 1mg2 n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mg2 s LYS 29 N -6.33 0.98 -0.41 0.03 -2.85 -0.47 -4.83 119.74 105.86 1mg2 s LYS 29 Ca 0.29 -0.27 -0.22 0.00 -1.00 0.00 0.00 55.97 54.77 1mg2 s LYS 29 Cb -0.14 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1mg2 s LYS 29 CO 0.83 -0.41 0.72 0.71 0.10 0.00 0.00 175.35 177.30 1mg2 s TYR 30 N -2.99 3.06 0.64 1.78 2.02 -1.26 -1.78 117.35 118.82 1mg2 s TYR 30 Ca 0.02 0.21 0.35 0.00 -0.37 0.00 0.00 57.07 57.28 1mg2 s TYR 30 Cb -0.01 -3.43 1.97 0.00 -0.40 0.00 0.00 41.96 40.10 1mg2 s TYR 30 CO -0.08 -0.84 2.18 0.93 -1.57 0.00 0.00 175.55 176.18 1mg2 h GLU 31 N 8.76 0.00 -2.93 -0.62 4.39 -1.36 -3.22 114.58 119.60 1mg2 h GLU 31 Ca -0.25 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.84 1mg2 h GLU 31 Cb 1.09 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.34 1mg2 h GLU 31 CO 0.91 0.00 -0.73 0.99 -1.16 0.00 0.00 179.01 179.02 1mg2 s THR 32 N -4.33 1.69 0.47 1.13 2.01 -1.26 -4.99 115.64 110.36 1mg2 s THR 32 Ca -0.05 -3.07 0.31 0.00 0.31 0.00 0.00 61.69 59.20 1mg2 s THR 32 Cb 0.13 -2.15 0.34 0.00 0.01 0.00 0.00 72.50 70.83 1mg2 s THR 32 CO 0.43 -0.98 2.16 -0.65 -0.69 0.00 0.00 174.62 174.90 1mg2 h PRO 33 N 6.18 0.00 -2.07 4.92 0.11 -1.87 -3.34 132.00 135.93 1mg2 h PRO 33 Ca 0.07 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.62 1mg2 h PRO 33 Cb 0.88 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.59 1mg2 h PRO 33 CO 0.54 0.06 -0.96 -1.91 -0.21 0.00 0.00 178.00 175.52 1mg2 n GLU 34 N -3.54 1.38 -2.22 1.05 2.13 -1.26 -0.20 120.64 117.97 1mg2 n GLU 34 Ca -0.02 -3.72 -0.42 0.00 0.66 0.00 0.00 57.16 53.66 1mg2 n GLU 34 Cb 0.18 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 30.24 1mg2 n GLU 34 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1mg2 s LEU 35 N -1.83 4.39 -0.15 4.31 0.20 -1.06 -4.87 118.68 119.67 1mg2 s LEU 35 Ca 0.38 2.33 -0.02 0.00 0.69 0.00 0.00 54.13 57.51 1mg2 s LEU 35 Cb 0.20 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.34 1mg2 s LEU 35 CO -0.08 -0.57 -0.09 -1.00 -0.29 0.00 0.00 176.35 174.32 1mg2 s HIS 36 N 0.60 2.89 0.38 5.38 3.76 -1.26 -0.40 115.29 126.65 1mg2 s HIS 36 Ca 0.60 -0.59 0.06 0.00 -0.15 0.00 0.00 55.06 54.99 1mg2 s HIS 36 Cb -0.36 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1mg2 s HIS 36 CO 0.34 -0.21 0.23 0.14 -0.85 0.00 0.00 174.74 174.39 1mg2 s VAL 37 N 0.51 0.20 0.15 -0.90 -7.23 -0.45 -4.97 120.40 107.71 1mg2 s VAL 37 Ca -0.07 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1mg2 s VAL 37 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1mg2 s VAL 37 CO 0.04 0.00 0.02 -0.54 -0.31 0.00 0.00 175.10 174.31 1mg2 s LYS 38 N -3.50 2.52 0.14 4.82 -0.14 -1.26 -1.26 119.74 121.06 1mg2 s LYS 38 Ca 0.33 -1.00 -0.35 0.00 -1.36 0.00 0.00 55.97 53.59 1mg2 s LYS 38 Cb 0.02 -2.45 -0.15 0.00 -1.68 0.00 0.00 37.83 33.57 1mg2 s LYS 38 CO 0.23 0.48 1.50 0.28 -0.76 0.00 0.00 175.35 177.09 1mg2 n VAL 39 N 0.03 0.02 0.00 3.17 0.31 -1.26 -1.01 118.33 119.59 1mg2 n VAL 39 Ca -0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1mg2 n VAL 39 Cb 0.54 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1mg2 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mg2 n GLY 40 N 3.13 3.34 3.70 2.92 0.00 0.16 -5.01 105.19 113.43 1mg2 n GLY 40 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1mg2 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mg2 s ASP 41 N -0.62 3.55 -0.18 1.61 1.01 -0.18 -4.67 116.67 117.20 1mg2 s ASP 41 Ca 0.00 2.16 -0.00 0.00 0.71 0.00 0.00 52.55 55.42 1mg2 s ASP 41 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1mg2 s ASP 41 CO 0.00 -2.69 -0.15 -0.89 0.21 0.00 0.00 175.17 171.66 1mg2 s THR 42 N -2.53 2.56 -0.13 -1.27 2.01 -1.26 -2.03 115.64 112.98 1mg2 s THR 42 Ca 0.68 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 1mg2 s THR 42 Cb -0.23 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1mg2 s THR 42 CO 0.54 0.50 0.17 -0.69 -0.69 0.00 0.00 174.62 174.46 1mg2 s VAL 43 N 1.17 5.43 -0.12 3.82 1.01 0.05 -4.22 120.40 127.54 1mg2 s VAL 43 Ca 0.02 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1mg2 s VAL 43 Cb -0.14 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1mg2 s VAL 43 CO -0.06 0.56 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 1mg2 s THR 44 N -0.59 1.63 -0.02 3.92 2.01 -0.17 -1.23 115.64 121.18 1mg2 s THR 44 Ca 0.14 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1mg2 s THR 44 Cb -0.12 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1mg2 s THR 44 CO 0.03 0.47 0.40 0.26 -0.69 0.00 0.00 174.62 175.09 1mg2 s TRP 45 N 1.02 3.70 -0.08 4.92 0.51 0.10 -1.01 118.94 128.11 1mg2 s TRP 45 Ca -0.05 0.96 -0.01 0.00 -2.12 0.00 0.00 56.10 54.88 1mg2 s TRP 45 Cb -0.15 -2.30 0.03 0.00 -0.81 0.00 0.00 33.47 30.24 1mg2 s TRP 45 CO -0.03 0.60 -0.02 0.42 -0.51 0.00 0.00 176.95 177.40 1mg2 s ILE 46 N -0.89 0.57 -0.22 2.03 1.01 -0.83 -1.28 121.20 121.58 1mg2 s ILE 46 Ca 0.23 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 1mg2 s ILE 46 Cb -0.16 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 1mg2 s ILE 46 CO 0.13 0.29 0.85 0.21 0.00 0.00 0.00 174.94 176.41 1mg2 s ASN 47 N 1.78 6.89 0.00 3.58 3.84 -0.94 -1.06 114.94 129.03 1mg2 s ASN 47 Ca 0.03 1.11 0.23 0.00 0.21 0.00 0.00 52.86 54.44 1mg2 s ASN 47 Cb -0.13 -2.45 0.51 0.00 -0.55 0.00 0.00 41.25 38.63 1mg2 s ASN 47 CO -0.05 -0.50 1.44 0.54 -2.79 0.00 0.00 177.10 175.73 1mg2 n ARG 48 N 5.84 2.23 -4.38 0.43 5.12 0.24 0.07 116.66 126.21 1mg2 n ARG 48 Ca 0.06 -1.85 -0.19 0.00 -1.93 0.00 0.00 57.85 53.94 1mg2 n ARG 48 Cb 0.48 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 1mg2 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1mg2 s GLU 49 N -1.67 1.50 0.30 5.56 -1.05 -1.26 -4.78 118.70 117.31 1mg2 s GLU 49 Ca 0.35 -1.81 0.04 0.00 -0.15 0.00 0.00 54.97 53.41 1mg2 s GLU 49 Cb 0.21 -0.66 0.48 0.00 -0.44 0.00 0.00 34.13 33.72 1mg2 s GLU 49 CO 0.30 -0.18 1.76 0.00 0.95 0.00 0.00 175.26 178.09 1mg2 h ALA 50 N 2.29 1.19 -2.11 -0.84 0.00 -1.94 -2.94 119.26 114.90 1mg2 h ALA 50 Ca -0.39 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 1mg2 h ALA 50 Cb 1.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1mg2 h ALA 50 CO 0.66 0.52 1.31 -0.12 0.00 0.00 0.00 179.25 181.62 1mg2 n MET 51 N -4.15 2.37 -2.06 0.00 0.00 -1.26 -4.49 117.12 107.53 1mg2 n MET 51 Ca -0.00 0.80 -0.39 0.00 0.00 0.00 0.00 57.70 58.11 1mg2 n MET 51 Cb 0.37 -3.00 -0.00 0.00 0.00 0.00 0.00 33.22 30.59 1mg2 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1mg2 s PRO 52 N 5.14 3.94 0.12 2.12 0.02 -1.26 -4.83 135.00 140.25 1mg2 s PRO 52 Ca 0.95 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 64.07 1mg2 s PRO 52 Cb -0.47 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1mg2 s PRO 52 CO 0.42 -0.51 0.11 -1.01 -0.33 0.00 0.00 177.00 175.68 1mg2 s HIS 53 N -1.27 0.60 0.01 6.54 3.76 -1.06 -4.93 115.29 118.94 1mg2 s HIS 53 Ca 0.57 -1.01 -0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1mg2 s HIS 53 Cb -0.38 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1mg2 s HIS 53 CO 0.48 -0.55 0.01 0.27 -0.85 0.00 0.00 174.74 174.11 1mg2 n ASN 54 N -0.08 -0.03 -4.12 1.40 6.94 -1.26 0.83 115.26 118.93 1mg2 n ASN 54 Ca -0.09 -1.04 -0.25 0.00 -0.02 0.00 0.00 54.58 53.19 1mg2 n ASN 54 Cb 0.63 0.06 -0.16 0.00 -2.36 0.00 0.00 39.78 37.95 1mg2 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1mg2 s VAL 55 N -2.50 1.30 -0.10 3.53 -7.23 -1.26 -4.42 120.40 109.72 1mg2 s VAL 55 Ca 0.01 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1mg2 s VAL 55 Cb -0.00 -1.11 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1mg2 s VAL 55 CO 0.00 0.38 0.00 -2.28 -0.31 0.00 0.00 175.10 172.90 1mg2 s HIS 56 N -0.04 0.77 -0.18 2.82 5.04 0.15 -1.44 115.29 122.41 1mg2 s HIS 56 Ca -0.01 -0.33 -0.04 0.00 -1.54 0.00 0.00 55.06 53.14 1mg2 s HIS 56 Cb -0.10 -0.87 -0.02 0.00 0.04 0.00 0.00 32.58 31.63 1mg2 s HIS 56 CO 0.01 -0.39 -0.02 -0.06 -2.34 0.00 0.00 174.74 171.94 1mg2 s PHE 57 N 1.94 3.02 0.85 3.88 0.40 0.25 -1.20 117.98 127.13 1mg2 s PHE 57 Ca 0.04 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1mg2 s PHE 57 Cb -0.13 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.46 1mg2 s PHE 57 CO -0.06 -0.19 1.09 0.14 0.70 0.00 0.00 175.22 176.91 1mg2 s VAL 58 N 0.80 2.85 0.24 -0.44 -7.23 -1.26 -0.43 120.40 114.93 1mg2 s VAL 58 Ca -0.00 0.28 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 1mg2 s VAL 58 Cb -0.14 -2.84 -0.14 0.00 0.56 0.00 0.00 36.38 33.82 1mg2 s VAL 58 CO 0.02 -0.36 1.31 0.00 -0.31 0.00 0.00 175.10 175.76 1mg2 n ALA 59 N -3.71 0.63 -0.45 1.32 0.00 -1.26 -2.45 120.51 114.58 1mg2 n ALA 59 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1mg2 n ALA 59 Cb 0.55 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1mg2 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg2 n GLY 60 N 1.91 0.81 0.09 0.00 0.00 0.15 -4.86 105.19 103.29 1mg2 n GLY 60 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1mg2 n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mg2 n VAL 61 N -2.00 1.49 0.74 1.61 0.31 -1.03 -4.51 118.33 114.95 1mg2 n VAL 61 Ca 0.00 0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.46 1mg2 n VAL 61 Cb 0.00 -2.16 -0.03 0.00 -0.91 0.00 0.00 33.84 30.74 1mg2 n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1mg2 n LEU 62 N -4.49 1.38 0.00 7.52 4.77 -1.26 -4.85 117.00 120.07 1mg2 n LEU 62 Ca -0.24 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1mg2 n LEU 62 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1mg2 n LEU 62 CO 0.15 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1mg2 n GLY 63 N 1.24 -1.41 0.34 -0.72 0.00 -1.26 -0.49 105.19 102.88 1mg2 n GLY 63 Ca 0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 1mg2 n GLY 63 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mg2 h GLU 64 N 0.00 1.11 -6.38 1.61 4.57 -1.95 0.42 114.58 113.97 1mg2 h GLU 64 Ca 0.00 -0.18 -0.55 0.00 -1.18 0.00 0.00 59.36 57.45 1mg2 h GLU 64 Cb 0.00 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1mg2 h GLU 64 CO 0.00 0.89 -0.11 0.00 -1.18 0.00 0.00 179.01 178.60 1mg2 s ALA 65 N -5.56 3.58 0.73 2.92 0.00 -1.26 -2.29 121.76 119.89 1mg2 s ALA 65 Ca -0.12 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1mg2 s ALA 65 Cb 0.16 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1mg2 s ALA 65 CO 0.82 0.50 1.12 0.00 0.00 0.00 0.00 175.76 178.20 1mg2 s ALA 66 N -1.68 2.24 -0.30 0.00 0.00 -1.26 -4.32 121.76 116.43 1mg2 s ALA 66 Ca 0.44 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1mg2 s ALA 66 Cb -0.12 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1mg2 s ALA 66 CO 0.20 -1.69 -0.01 -1.17 0.00 0.00 0.00 175.76 173.10 1mg2 s LEU 67 N -5.43 4.04 -0.52 0.00 2.96 0.43 -4.88 118.68 115.27 1mg2 s LEU 67 Ca 0.66 -1.56 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 1mg2 s LEU 67 Cb -0.21 -1.65 0.13 0.00 0.50 0.00 0.00 46.19 44.96 1mg2 s LEU 67 CO 0.48 -0.29 0.39 -0.54 -1.32 0.00 0.00 176.35 175.08 1mg2 s LYS 68 N 1.12 2.57 1.02 1.98 1.02 -1.26 -0.58 119.74 125.60 1mg2 s LYS 68 Ca -0.02 -1.91 -0.12 0.00 0.02 0.00 0.00 55.97 53.94 1mg2 s LYS 68 Cb -0.20 -3.94 0.20 0.00 -0.52 0.00 0.00 37.83 33.37 1mg2 s LYS 68 CO -0.04 -1.20 1.08 0.20 -0.92 0.00 0.00 175.35 174.47 1mg2 s GLY 69 N 2.39 1.60 0.54 -3.33 0.00 -0.52 -4.99 107.32 103.01 1mg2 s GLY 69 Ca 0.08 0.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 1mg2 s GLY 69 CO -0.02 0.63 1.04 2.56 0.00 0.00 0.00 173.10 177.31 1mg2 s PRO 70 N -4.67 3.60 0.16 2.90 0.04 -1.26 -4.68 135.00 131.09 1mg2 s PRO 70 Ca 0.66 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 1mg2 s PRO 70 Cb -0.22 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1mg2 s PRO 70 CO 0.60 -0.58 1.22 -1.64 0.04 0.00 0.00 177.00 176.64 1mg2 s MET 71 N -3.74 4.46 -0.12 4.56 -1.94 -1.26 -4.58 119.30 116.68 1mg2 s MET 71 Ca 0.64 1.89 -0.10 0.00 -1.71 0.00 0.00 55.69 56.41 1mg2 s MET 71 Cb -0.15 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 1mg2 s MET 71 CO 0.29 -0.15 0.22 -1.64 -0.01 0.00 0.00 175.02 173.73 1mg2 s MET 72 N 0.08 3.83 0.58 2.03 -1.94 0.24 -4.90 119.30 119.24 1mg2 s MET 72 Ca 0.55 -0.00 0.01 0.00 -1.71 0.00 0.00 55.69 54.54 1mg2 s MET 72 Cb -0.33 -3.29 0.05 0.00 2.01 0.00 0.00 34.83 33.28 1mg2 s MET 72 CO 0.35 0.56 0.81 0.15 -0.01 0.00 0.00 175.02 176.89 1mg2 s LYS 73 N -0.47 2.37 0.12 2.03 1.02 -1.26 -2.55 119.74 120.99 1mg2 s LYS 73 Ca 0.16 -0.90 -0.35 0.00 0.02 0.00 0.00 55.97 54.90 1mg2 s LYS 73 Cb -0.13 -2.47 -0.16 0.00 -0.52 0.00 0.00 37.83 34.55 1mg2 s LYS 73 CO 0.05 -0.86 1.28 1.17 -0.92 0.00 0.00 175.35 176.07 1mg2 n LYS 74 N -2.42 1.19 -2.61 1.68 4.81 -1.11 -1.44 118.16 118.26 1mg2 n LYS 74 Ca 0.10 0.43 -0.19 0.00 -0.87 0.00 0.00 58.31 57.77 1mg2 n LYS 74 Cb 0.60 -2.02 0.01 0.00 0.02 0.00 0.00 35.03 33.64 1mg2 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mg2 n GLU 75 N 2.26 -2.75 -4.58 1.64 -0.58 0.11 -4.99 120.64 111.74 1mg2 n GLU 75 Ca 0.17 0.87 -0.31 0.00 -0.42 0.00 0.00 57.16 57.47 1mg2 n GLU 75 Cb 0.21 -5.46 -0.12 0.00 -0.57 0.00 0.00 31.44 25.50 1mg2 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1mg2 s GLN 76 N -5.21 2.09 0.27 3.49 -0.21 -0.52 -1.16 119.66 118.42 1mg2 s GLN 76 Ca 0.12 -0.98 0.10 0.00 0.02 0.00 0.00 55.36 54.62 1mg2 s GLN 76 Cb -0.05 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1mg2 s GLN 76 CO 0.15 0.54 -0.14 0.00 -2.12 0.00 0.00 175.29 173.71 1mg2 s ALA 77 N -0.97 2.54 -0.11 6.09 0.00 0.19 -2.22 121.76 127.27 1mg2 s ALA 77 Ca 0.15 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.16 1mg2 s ALA 77 Cb -0.11 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1mg2 s ALA 77 CO 0.06 0.14 0.29 -0.47 0.00 0.00 0.00 175.76 175.77 1mg2 s TYR 78 N -2.72 -0.35 0.21 0.00 5.04 -0.40 -1.18 117.35 117.94 1mg2 s TYR 78 Ca 0.28 0.83 0.10 0.00 -2.44 0.00 0.00 57.07 55.84 1mg2 s TYR 78 Cb -0.01 0.11 -0.05 0.00 0.35 0.00 0.00 41.96 42.36 1mg2 s TYR 78 CO 0.13 -0.20 -0.19 -1.12 -1.34 0.00 0.00 175.55 172.83 1mg2 s SER 79 N 0.63 2.98 -0.05 4.32 0.01 -1.26 0.02 113.70 120.35 1mg2 s SER 79 Ca -0.04 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.25 1mg2 s SER 79 Cb -0.05 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1mg2 s SER 79 CO -0.04 -0.03 0.13 -0.76 0.41 0.00 0.00 173.24 172.95 1mg2 s LEU 80 N -3.01 1.23 -0.33 2.44 1.43 -0.37 -4.14 118.68 115.93 1mg2 s LEU 80 Ca 0.21 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1mg2 s LEU 80 Cb -0.05 0.38 0.03 0.00 0.03 0.00 0.00 46.19 46.58 1mg2 s LEU 80 CO 0.09 -0.08 0.11 -0.89 0.23 0.00 0.00 176.35 175.81 1mg2 s THR 81 N 0.49 3.94 -0.07 5.49 2.01 -0.41 -0.77 115.64 126.32 1mg2 s THR 81 Ca -0.04 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.71 1mg2 s THR 81 Cb -0.05 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1mg2 s THR 81 CO -0.02 -0.11 0.93 -0.36 -0.69 0.00 0.00 174.62 174.36 1mg2 s PHE 82 N 1.45 3.56 -0.77 4.92 0.40 -0.86 -1.15 117.98 125.54 1mg2 s PHE 82 Ca -0.00 1.53 0.09 0.00 -0.60 0.00 0.00 56.93 57.95 1mg2 s PHE 82 Cb -0.19 -3.08 0.23 0.00 0.51 0.00 0.00 43.02 40.50 1mg2 s PHE 82 CO 0.03 -0.10 1.18 0.25 0.70 0.00 0.00 175.22 177.28 1mg2 n THR 83 N 4.22 0.94 -3.72 0.64 -2.24 0.12 0.37 114.28 114.61 1mg2 n THR 83 Ca 0.06 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.75 1mg2 n THR 83 Cb 0.50 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1mg2 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mg2 s GLU 84 N -0.98 0.39 0.61 -0.78 2.12 -1.23 -4.78 118.70 114.04 1mg2 s GLU 84 Ca 0.18 0.65 -0.19 0.00 0.36 0.00 0.00 54.97 55.97 1mg2 s GLU 84 Cb 0.10 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1mg2 s GLU 84 CO 0.13 -0.11 1.25 0.00 -0.54 0.00 0.00 175.26 175.98 1mg2 s ALA 85 N 0.88 2.51 0.00 6.30 0.00 -1.26 -4.82 121.76 125.37 1mg2 s ALA 85 Ca -0.06 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1mg2 s ALA 85 Cb -0.06 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1mg2 s ALA 85 CO -0.07 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1mg2 n GLY 86 N 0.67 0.61 3.35 0.00 0.00 -0.13 -4.96 105.19 104.72 1mg2 n GLY 86 Ca 0.14 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1mg2 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg2 s THR 87 N -1.46 3.35 -0.22 2.61 2.01 -1.26 -0.50 115.64 120.16 1mg2 s THR 87 Ca 0.00 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1mg2 s THR 87 Cb 0.00 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1mg2 s THR 87 CO 0.00 0.46 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.95 1mg2 s TYR 88 N 1.05 3.02 0.21 4.92 2.02 -0.04 -4.95 117.35 123.58 1mg2 s TYR 88 Ca 0.00 -1.84 -0.12 0.00 -0.37 0.00 0.00 57.07 54.74 1mg2 s TYR 88 Cb -0.15 -1.96 -0.07 0.00 -0.40 0.00 0.00 41.96 39.38 1mg2 s TYR 88 CO -0.00 -0.81 0.57 -0.51 -1.57 0.00 0.00 175.55 173.23 1mg2 s ASP 89 N 1.24 6.72 0.22 2.29 1.11 -1.26 -0.56 116.67 126.43 1mg2 s ASP 89 Ca -0.01 1.02 -0.09 0.00 0.18 0.00 0.00 52.55 53.65 1mg2 s ASP 89 Cb -0.16 -2.27 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 1mg2 s ASP 89 CO -0.08 -0.02 0.36 -0.72 1.18 0.00 0.00 175.17 175.88 1mg2 s TYR 90 N -1.70 0.57 0.33 4.23 1.13 -0.10 -4.58 117.35 117.23 1mg2 s TYR 90 Ca 0.45 -0.90 -0.08 0.00 -1.41 0.00 0.00 57.07 55.12 1mg2 s TYR 90 Cb -0.13 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1mg2 s TYR 90 CO 0.20 -0.86 0.55 -3.38 -2.51 0.00 0.00 175.55 169.55 1mg2 s HIS 91 N -4.05 0.66 -0.24 -3.49 -3.43 -0.34 -2.07 115.29 102.33 1mg2 s HIS 91 Ca 0.26 -1.03 -0.12 0.00 -0.80 0.00 0.00 55.06 53.37 1mg2 s HIS 91 Cb 0.02 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 31.33 1mg2 s HIS 91 CO 0.08 -1.20 0.25 0.00 -2.00 0.00 0.00 174.74 171.87 1mg2 h THR 93 N 5.14 0.00 0.00 0.00 2.02 -1.91 -0.66 112.91 117.50 1mg2 h THR 93 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1mg2 h THR 93 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1mg2 h THR 93 CO 0.65 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.73 1mg2 n PRO 94 N -4.41 0.21 -3.58 6.66 -0.04 -1.26 -3.97 135.00 128.61 1mg2 n PRO 94 Ca -0.01 0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 63.61 1mg2 n PRO 94 Cb 0.20 -1.90 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 1mg2 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mg2 n HIS 95 N -2.29 1.89 0.33 0.54 8.25 -0.28 -4.95 115.22 118.71 1mg2 n HIS 95 Ca 0.02 -3.94 0.19 0.00 -0.26 0.00 0.00 57.72 53.73 1mg2 n HIS 95 Cb 0.24 -0.36 1.02 0.00 1.12 0.00 0.00 29.99 32.01 1mg2 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mg2 h PRO 96 N 5.00 0.00 0.00 -0.41 0.11 -1.61 0.26 132.00 135.35 1mg2 h PRO 96 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1mg2 h PRO 96 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1mg2 h PRO 96 CO 0.63 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.39 1mg2 n PHE 97 N -2.97 0.77 -2.95 0.65 -1.74 -1.26 -4.55 117.46 105.42 1mg2 n PHE 97 Ca -0.02 0.27 -0.43 0.00 -0.56 0.00 0.00 57.45 56.71 1mg2 n PHE 97 Cb 0.21 -0.94 -0.05 0.00 1.52 0.00 0.00 39.48 40.22 1mg2 n PHE 97 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1mg2 s MET 98 N -3.21 3.41 0.09 3.97 -1.94 0.08 -5.03 119.30 116.66 1mg2 s MET 98 Ca 0.07 -0.10 0.06 0.00 -1.71 0.00 0.00 55.69 54.00 1mg2 s MET 98 Cb 0.11 -3.94 -0.03 0.00 2.01 0.00 0.00 34.83 32.97 1mg2 s MET 98 CO 0.46 -1.14 -0.15 1.03 -0.01 0.00 0.00 175.02 175.21 1mg2 s ARG 99 N 3.34 0.91 0.24 2.03 0.52 -1.26 -2.24 118.95 122.49 1mg2 s ARG 99 Ca 0.30 -1.04 -0.21 0.00 -0.52 0.00 0.00 55.73 54.26 1mg2 s ARG 99 Cb -0.12 -0.95 0.04 0.00 0.52 0.00 0.00 34.95 34.44 1mg2 s ARG 99 CO 0.23 0.21 0.67 0.20 0.02 0.00 0.00 175.30 176.63 1mg2 s GLY 100 N -1.89 -0.26 0.05 -3.53 0.00 -0.88 -4.72 107.32 96.09 1mg2 s GLY 100 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.66 1mg2 s GLY 100 CO 0.03 -0.02 0.04 -1.59 0.00 0.00 0.00 173.10 171.57 1mg2 s LYS 101 N -3.86 0.62 -0.16 2.90 -2.85 0.71 -0.92 119.74 116.18 1mg2 s LYS 101 Ca 0.08 -0.99 0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1mg2 s LYS 101 Cb -0.04 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1mg2 s LYS 101 CO -0.00 -0.14 -0.17 0.08 0.10 0.00 0.00 175.35 175.21 1mg2 s VAL 102 N -3.34 1.83 -0.45 1.79 1.01 0.28 -2.57 120.40 118.95 1mg2 s VAL 102 Ca 0.01 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1mg2 s VAL 102 Cb 0.03 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1mg2 s VAL 102 CO -0.08 0.50 0.34 -0.69 0.00 0.00 0.00 175.10 175.18 1mg2 s VAL 103 N 1.31 5.03 -0.37 2.92 1.01 0.46 -0.86 120.40 129.92 1mg2 s VAL 103 Ca 0.03 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1mg2 s VAL 103 Cb -0.13 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1mg2 s VAL 103 CO -0.10 -0.50 0.52 -0.69 0.00 0.00 0.00 175.10 174.33 1mg2 s VAL 104 N 1.61 5.00 -0.38 2.92 1.01 0.35 -1.35 120.40 129.56 1mg2 s VAL 104 Ca 0.04 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1mg2 s VAL 104 Cb -0.23 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1mg2 s VAL 104 CO 0.07 -0.28 0.60 -0.62 0.00 0.00 0.00 175.10 174.86