#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 4.05 -3.49 -0.67 5.02 -0.60 -4.87 118.16 117.60 1mg2 n LYS 2 Ca 0.00 -0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 55.97 1mg2 n LYS 2 Cb 0.00 -0.76 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 1mg2 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mg2 s ALA 3 N -0.97 -1.77 0.20 7.82 0.00 -1.26 -0.93 121.76 124.85 1mg2 s ALA 3 Ca 0.02 1.01 0.11 0.00 0.00 0.00 0.00 51.96 53.09 1mg2 s ALA 3 Cb 0.02 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1mg2 s ALA 3 CO 0.09 -0.61 -0.22 0.95 0.00 0.00 0.00 175.76 175.98 1mg2 s THR 4 N -2.71 2.24 -0.45 0.00 -4.23 -0.30 -4.95 115.64 105.24 1mg2 s THR 4 Ca 0.01 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 1mg2 s THR 4 Cb -0.01 -2.08 0.09 0.00 1.34 0.00 0.00 72.50 71.83 1mg2 s THR 4 CO -0.06 -0.22 0.33 -0.63 -0.54 0.00 0.00 174.62 173.50 1mg2 s ILE 5 N -1.92 4.59 0.32 2.99 1.09 -1.26 -1.43 121.20 125.59 1mg2 s ILE 5 Ca 0.21 -1.35 0.07 0.00 -1.10 0.00 0.00 60.65 58.48 1mg2 s ILE 5 Cb -0.07 -3.82 0.31 0.00 -1.06 0.00 0.00 42.46 37.82 1mg2 s ILE 5 CO 0.10 -0.58 1.82 -0.65 -0.10 0.00 0.00 174.94 175.52 1mg2 h PRO 6 N 8.55 0.74 -3.01 2.79 0.11 -1.96 -3.40 132.00 135.83 1mg2 h PRO 6 Ca -0.25 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 1mg2 h PRO 6 Cb 1.09 -0.17 -0.34 0.00 0.11 0.00 0.00 31.00 31.69 1mg2 h PRO 6 CO 0.83 0.49 -0.59 -1.12 -0.21 0.00 0.00 178.00 177.40 1mg2 s SER 7 N -5.57 0.51 0.32 -2.05 0.01 -1.26 -5.03 113.70 100.63 1mg2 s SER 7 Ca -0.11 0.44 -0.00 0.00 1.31 0.00 0.00 55.95 57.59 1mg2 s SER 7 Cb 0.24 0.44 0.51 0.00 0.21 0.00 0.00 66.02 67.42 1mg2 s SER 7 CO 0.80 -0.23 1.96 -0.33 0.41 0.00 0.00 173.24 175.84 1mg2 h GLU 8 N 8.23 0.94 -6.26 12.44 3.07 -1.96 -3.43 114.58 127.60 1mg2 h GLU 8 Ca -0.16 -0.08 -0.62 0.00 -0.50 0.00 0.00 59.36 58.00 1mg2 h GLU 8 Cb 1.12 -0.20 -0.10 0.00 -0.84 0.00 0.00 28.75 28.73 1mg2 h GLU 8 CO 0.16 0.66 -0.62 -1.12 -1.40 0.00 0.00 179.01 176.69 1mg2 s SER 9 N -6.42 5.25 0.83 1.42 0.01 -1.26 -4.68 113.70 108.84 1mg2 s SER 9 Ca -0.11 -0.15 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 1mg2 s SER 9 Cb 0.17 -1.31 0.07 0.00 0.21 0.00 0.00 66.02 65.16 1mg2 s SER 9 CO 0.78 0.13 1.03 -2.65 0.41 0.00 0.00 173.24 172.95 1mg2 n PRO 10 N 0.19 0.08 -4.32 12.44 -0.02 -1.26 -4.94 135.00 137.16 1mg2 n PRO 10 Ca -0.09 0.10 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 1mg2 n PRO 10 Cb 0.53 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1mg2 n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1mg2 s PHE 11 N -2.18 1.54 0.45 6.00 -0.71 -0.22 -4.88 117.98 117.98 1mg2 s PHE 11 Ca 0.70 -1.24 -0.24 0.00 -1.04 0.00 0.00 56.93 55.11 1mg2 s PHE 11 Cb -0.28 -0.88 -0.08 0.00 -1.21 0.00 0.00 43.02 40.58 1mg2 s PHE 11 CO 0.54 -0.40 1.29 0.00 -1.34 0.00 0.00 175.22 175.32 1mg2 s ALA 12 N -3.73 3.10 0.43 1.99 0.00 -1.26 0.53 121.76 122.82 1mg2 s ALA 12 Ca 0.37 1.21 0.40 0.00 0.00 0.00 0.00 51.96 53.94 1mg2 s ALA 12 Cb 0.07 -3.49 2.01 0.00 0.00 0.00 0.00 23.12 21.71 1mg2 s ALA 12 CO 0.15 -0.93 2.21 0.00 0.00 0.00 0.00 175.76 177.19 1mg2 h ALA 13 N 2.25 1.00 -0.02 0.00 0.00 -1.61 -1.91 119.26 118.96 1mg2 h ALA 13 Ca -0.50 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1mg2 h ALA 13 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1mg2 h ALA 13 CO 0.61 0.00 -0.76 0.00 0.00 0.00 0.00 179.25 179.10 1mg2 h ALA 14 N 2.00 0.68 0.00 0.00 0.00 -1.90 -2.93 119.26 117.11 1mg2 h ALA 14 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1mg2 h ALA 14 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mg2 h ALA 14 CO 0.00 0.84 0.00 0.39 0.00 0.00 0.00 179.25 180.48 1mg2 n GLU 15 N -3.74 0.77 -2.82 0.00 1.02 -0.72 -4.74 120.64 110.41 1mg2 n GLU 15 Ca -0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 1mg2 n GLU 15 Cb 0.72 -1.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.00 4.81 -0.35 2.62 1.01 -1.11 -4.95 120.40 120.43 1mg2 s VAL 16 Ca 0.15 1.72 -0.34 0.00 0.00 0.00 0.00 61.98 63.51 1mg2 s VAL 16 Cb 0.07 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 1mg2 s VAL 16 CO 0.11 -0.06 2.21 0.00 0.00 0.00 0.00 175.10 177.36 1mg2 n ALA 17 N 5.77 1.13 -1.73 5.51 0.00 -1.26 -4.78 120.51 125.14 1mg2 n ALA 17 Ca 0.07 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1mg2 n ALA 17 Cb 0.48 -2.59 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 1mg2 n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mg2 s ASP 18 N 7.58 4.26 0.00 0.00 -0.00 -1.26 -0.17 116.67 127.08 1mg2 s ASP 18 Ca 1.09 -0.30 0.00 0.00 -0.00 0.00 0.00 52.55 53.34 1mg2 s ASP 18 Cb -0.80 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 39.56 1mg2 s ASP 18 CO 0.47 -3.59 0.00 0.61 -0.00 0.00 0.00 175.17 172.66 1mg2 n GLY 19 N 6.75 -0.66 3.88 0.21 0.00 -1.26 -5.15 105.19 108.95 1mg2 n GLY 19 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 3.18 -0.44 4.61 0.00 0.76 -4.99 121.76 124.88 1mg2 s ALA 20 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1mg2 s ALA 20 Cb 0.00 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1mg2 s ALA 20 CO 0.00 -0.57 1.36 0.42 0.00 0.00 0.00 175.76 176.98 1mg2 s ILE 21 N -3.03 3.95 0.00 0.00 1.01 -1.26 -4.99 121.20 116.89 1mg2 s ILE 21 Ca 0.53 0.95 0.05 0.00 0.00 0.00 0.00 60.65 62.18 1mg2 s ILE 21 Cb -0.11 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1mg2 s ILE 21 CO 0.50 -0.84 -0.12 -0.69 0.00 0.00 0.00 174.94 173.79 1mg2 s VAL 22 N 5.32 3.24 -0.26 2.92 1.01 -1.26 -0.83 120.40 130.54 1mg2 s VAL 22 Ca 0.58 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1mg2 s VAL 22 Cb -0.12 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1mg2 s VAL 22 CO 0.32 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 175.10 1mg2 s VAL 23 N -0.92 1.79 0.31 2.92 1.01 -0.26 -4.93 120.40 120.32 1mg2 s VAL 23 Ca 0.15 -1.50 -0.27 0.00 0.00 0.00 0.00 61.98 60.36 1mg2 s VAL 23 Cb -0.11 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 1mg2 s VAL 23 CO 0.05 -0.17 0.96 -1.81 0.00 0.00 0.00 175.10 174.13 1mg2 s ASP 24 N 1.25 7.36 -0.16 3.32 1.01 -1.26 -1.85 116.67 126.34 1mg2 s ASP 24 Ca -0.04 1.91 -0.00 0.00 0.71 0.00 0.00 52.55 55.13 1mg2 s ASP 24 Cb -0.19 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.14 1mg2 s ASP 24 CO -0.07 -0.05 -0.14 -0.63 0.21 0.00 0.00 175.17 174.49 1mg2 s ILE 25 N -1.48 2.77 -0.04 0.77 1.01 -0.17 -1.08 121.20 122.99 1mg2 s ILE 25 Ca 0.48 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1mg2 s ILE 25 Cb -0.22 -2.18 0.11 0.00 0.01 0.00 0.00 42.46 40.18 1mg2 s ILE 25 CO 0.27 0.51 0.92 0.00 0.00 0.00 0.00 174.94 176.64 1mg2 s ALA 26 N 0.82 -1.85 -1.53 9.38 0.00 -0.44 -0.55 121.76 127.59 1mg2 s ALA 26 Ca -0.05 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 1mg2 s ALA 26 Cb -0.15 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1mg2 s ALA 26 CO 0.00 -0.64 0.50 1.63 0.00 0.00 0.00 175.76 177.25 1mg2 n LYS 27 N -0.11 -2.98 -3.80 0.00 4.01 -1.26 -1.34 118.16 112.68 1mg2 n LYS 27 Ca -0.08 0.36 -0.27 0.00 -0.51 0.00 0.00 58.31 57.80 1mg2 n LYS 27 Cb 0.61 -4.62 0.04 0.00 -0.51 0.00 0.00 35.03 30.56 1mg2 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1mg2 n MET 28 N -4.42 -6.18 -3.47 1.97 2.81 -1.26 -4.98 117.12 101.59 1mg2 n MET 28 Ca -0.18 0.67 -0.11 0.00 -1.81 0.00 0.00 57.70 56.27 1mg2 n MET 28 Cb 0.62 -5.58 -0.03 0.00 -0.71 0.00 0.00 33.22 27.52 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 -6.46 1.04 -0.47 0.03 -2.85 -0.45 -4.82 119.74 105.75 1mg2 s LYS 29 Ca 0.57 -0.29 -0.22 0.00 -1.00 0.00 0.00 55.97 55.04 1mg2 s LYS 29 Cb -0.28 0.48 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1mg2 s LYS 29 CO 0.80 -0.43 0.72 0.71 0.10 0.00 0.00 175.35 177.25 1mg2 s TYR 30 N -3.06 3.00 0.44 1.78 2.02 -1.26 -1.33 117.35 118.93 1mg2 s TYR 30 Ca 0.01 -0.10 0.21 0.00 -0.37 0.00 0.00 57.07 56.82 1mg2 s TYR 30 Cb -0.01 -3.59 1.18 0.00 -0.40 0.00 0.00 41.96 39.15 1mg2 s TYR 30 CO -0.08 -1.02 1.84 0.93 -1.57 0.00 0.00 175.55 175.66 1mg2 h GLU 31 N 9.00 0.30 -3.23 -0.62 4.39 -1.42 -3.05 114.58 119.95 1mg2 h GLU 31 Ca -0.26 -0.02 -0.64 0.00 0.34 0.00 0.00 59.36 58.78 1mg2 h GLU 31 Cb 1.09 -0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.27 1mg2 h GLU 31 CO 0.96 0.20 -0.52 0.99 -1.16 0.00 0.00 179.01 179.48 1mg2 s THR 32 N -5.33 3.04 0.37 1.13 2.01 -1.26 -4.95 115.64 110.65 1mg2 s THR 32 Ca -0.08 -3.89 0.32 0.00 0.31 0.00 0.00 61.69 58.36 1mg2 s THR 32 Cb 0.23 -3.01 0.35 0.00 0.01 0.00 0.00 72.50 70.08 1mg2 s THR 32 CO 0.78 -0.95 2.10 1.55 -0.69 0.00 0.00 174.62 177.41 1mg2 h PRO 33 N 5.88 0.00 -2.14 4.92 0.13 -1.86 -3.33 132.00 135.60 1mg2 h PRO 33 Ca 0.07 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 1mg2 h PRO 33 Cb 0.81 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.53 1mg2 h PRO 33 CO 0.73 0.07 -0.77 -1.91 -0.23 0.00 0.00 178.00 175.88 1mg2 n GLU 34 N -3.36 2.00 -2.35 0.86 2.13 -1.26 0.43 120.64 119.09 1mg2 n GLU 34 Ca -0.01 -4.21 -0.41 0.00 0.66 0.00 0.00 57.16 53.18 1mg2 n GLU 34 Cb 0.23 -1.93 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 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 -2.20 4.42 -0.17 4.31 0.20 -0.68 -4.88 118.68 119.68 1mg2 s LEU 35 Ca 0.39 2.21 -0.01 0.00 0.69 0.00 0.00 54.13 57.41 1mg2 s LEU 35 Cb 0.18 -3.60 -0.01 0.00 -0.43 0.00 0.00 46.19 42.33 1mg2 s LEU 35 CO -0.05 -0.44 -0.11 -1.00 -0.29 0.00 0.00 176.35 174.45 1mg2 s HIS 36 N 0.34 2.85 0.35 5.38 3.76 -1.26 0.06 115.29 126.77 1mg2 s HIS 36 Ca 0.56 -0.94 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 1mg2 s HIS 36 Cb -0.33 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1mg2 s HIS 36 CO 0.34 -0.45 0.20 1.33 -0.85 0.00 0.00 174.74 175.32 1mg2 n VAL 37 N 4.19 0.00 -4.27 -0.90 0.24 -0.12 -4.97 118.33 112.50 1mg2 n VAL 37 Ca -0.19 -2.27 -0.26 0.00 -2.04 0.00 0.00 64.34 59.58 1mg2 n VAL 37 Cb 0.52 0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 33.78 1mg2 n VAL 37 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mg2 s LYS 38 N -3.37 2.19 0.14 7.34 3.01 -1.26 0.04 119.74 127.83 1mg2 s LYS 38 Ca 0.29 -1.25 -0.35 0.00 -1.01 0.00 0.00 55.97 53.65 1mg2 s LYS 38 Cb 0.01 -2.21 -0.15 0.00 -1.01 0.00 0.00 37.83 34.48 1mg2 s LYS 38 CO 0.20 0.43 1.50 0.28 0.51 0.00 0.00 175.35 178.27 1mg2 n VAL 39 N -0.15 0.06 0.00 3.17 0.31 0.09 -0.78 118.33 121.03 1mg2 n VAL 39 Ca -0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1mg2 n VAL 39 Cb 0.56 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 3.08 3.36 3.76 2.92 0.00 0.24 -5.02 105.19 113.54 1mg2 n GLY 40 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.99 5.14 -0.18 1.61 -0.00 0.04 -4.72 116.67 117.56 1mg2 s ASP 41 Ca 0.00 2.17 -0.02 0.00 -0.00 0.00 0.00 52.55 54.70 1mg2 s ASP 41 Cb 0.00 -2.57 -0.01 0.00 -0.00 0.00 0.00 42.92 40.34 1mg2 s ASP 41 CO 0.00 -1.61 -0.10 -0.89 -0.00 0.00 0.00 175.17 172.57 1mg2 s THR 42 N -2.00 3.08 -0.06 -1.27 2.01 -1.26 -1.87 115.64 114.26 1mg2 s THR 42 Ca 0.71 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 1mg2 s THR 42 Cb -0.24 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1mg2 s THR 42 CO 0.37 0.48 0.24 -0.69 -0.69 0.00 0.00 174.62 174.33 1mg2 s VAL 43 N 0.95 5.33 -0.16 3.82 1.01 -0.08 -4.10 120.40 127.18 1mg2 s VAL 43 Ca -0.02 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1mg2 s VAL 43 Cb -0.15 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1mg2 s VAL 43 CO -0.01 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 1mg2 s THR 44 N -1.09 1.13 -0.02 3.92 2.01 -0.01 -1.55 115.64 120.03 1mg2 s THR 44 Ca 0.20 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1mg2 s THR 44 Cb -0.14 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1mg2 s THR 44 CO 0.09 0.18 0.61 0.26 -0.69 0.00 0.00 174.62 175.06 1mg2 s TRP 45 N 1.63 3.66 -0.14 4.92 0.51 -0.22 -1.10 118.94 128.21 1mg2 s TRP 45 Ca 0.01 1.19 -0.00 0.00 -2.12 0.00 0.00 56.10 55.19 1mg2 s TRP 45 Cb -0.15 -2.63 0.03 0.00 -0.81 0.00 0.00 33.47 29.91 1mg2 s TRP 45 CO -0.08 0.31 -0.08 0.42 -0.51 0.00 0.00 176.95 177.01 1mg2 s ILE 46 N -0.03 1.14 -0.17 2.03 1.01 -0.77 -1.70 121.20 122.69 1mg2 s ILE 46 Ca 0.32 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 1mg2 s ILE 46 Cb -0.18 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1mg2 s ILE 46 CO 0.17 0.30 0.87 0.21 0.00 0.00 0.00 174.94 176.50 1mg2 s ASN 47 N 1.65 6.99 -0.05 3.58 2.47 -0.97 -1.00 114.94 127.61 1mg2 s ASN 47 Ca 0.04 1.23 0.20 0.00 0.42 0.00 0.00 52.86 54.74 1mg2 s ASN 47 Cb -0.13 -2.47 0.65 0.00 -1.45 0.00 0.00 41.25 37.84 1mg2 s ASN 47 CO -0.08 -0.44 1.55 0.54 -3.72 0.00 0.00 177.10 174.95 1mg2 n ARG 48 N 5.39 3.20 -4.27 0.43 3.00 0.29 0.18 116.66 124.88 1mg2 n ARG 48 Ca 0.06 -2.72 -0.15 0.00 -0.01 0.00 0.00 57.85 55.03 1mg2 n ARG 48 Cb 0.48 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 31.15 1mg2 n ARG 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1mg2 s GLU 49 N -1.42 1.21 0.23 5.56 -1.05 -1.26 -4.79 118.70 117.18 1mg2 s GLU 49 Ca 0.48 -1.61 -0.07 0.00 -0.15 0.00 0.00 54.97 53.62 1mg2 s GLU 49 Cb 0.28 -0.29 0.27 0.00 -0.44 0.00 0.00 34.13 33.95 1mg2 s GLU 49 CO 0.28 -0.17 1.86 0.00 0.95 0.00 0.00 175.26 178.17 1mg2 h ALA 50 N 2.59 1.09 -2.05 -0.84 0.00 -1.95 -3.14 119.26 114.97 1mg2 h ALA 50 Ca -0.37 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.90 1mg2 h ALA 50 Cb 1.22 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1mg2 h ALA 50 CO 0.62 0.29 1.04 -0.12 0.00 0.00 0.00 179.25 181.08 1mg2 n MET 51 N -4.61 2.13 -2.16 0.00 0.00 -1.26 -4.48 117.12 106.74 1mg2 n MET 51 Ca 0.11 0.78 -0.38 0.00 0.00 0.00 0.00 57.70 58.20 1mg2 n MET 51 Cb 0.13 -2.60 -0.01 0.00 0.00 0.00 0.00 33.22 30.74 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 3.51 3.84 0.11 2.12 0.02 -1.26 -4.81 135.00 138.52 1mg2 s PRO 52 Ca 0.91 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.77 1mg2 s PRO 52 Cb -0.71 -2.57 0.01 0.00 0.02 0.00 0.00 34.50 31.25 1mg2 s PRO 52 CO 0.50 -0.53 0.27 -1.01 -0.33 0.00 0.00 177.00 175.89 1mg2 s HIS 53 N -1.40 0.05 0.03 6.54 3.76 -1.04 -4.93 115.29 118.31 1mg2 s HIS 53 Ca 0.61 -0.44 -0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1mg2 s HIS 53 Cb -0.33 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.41 1mg2 s HIS 53 CO 0.41 -0.61 0.04 0.27 -0.85 0.00 0.00 174.74 174.00 1mg2 n ASN 54 N -0.13 -0.11 -4.10 1.40 6.94 -1.26 0.12 115.26 118.12 1mg2 n ASN 54 Ca -0.15 -1.14 -0.24 0.00 -0.02 0.00 0.00 54.58 53.03 1mg2 n ASN 54 Cb 0.63 0.21 -0.16 0.00 -2.36 0.00 0.00 39.78 38.10 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 -2.54 1.24 -0.14 3.53 -7.23 -1.26 -4.45 120.40 109.55 1mg2 s VAL 55 Ca 0.02 -0.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1mg2 s VAL 55 Cb -0.00 -1.07 0.05 0.00 0.56 0.00 0.00 36.38 35.91 1mg2 s VAL 55 CO 0.01 0.36 0.02 -2.28 -0.31 0.00 0.00 175.10 172.90 1mg2 s HIS 56 N 0.05 0.90 -0.24 2.82 5.04 0.14 -1.51 115.29 122.48 1mg2 s HIS 56 Ca -0.03 -0.57 -0.07 0.00 -1.54 0.00 0.00 55.06 52.85 1mg2 s HIS 56 Cb -0.10 -0.95 -0.03 0.00 0.04 0.00 0.00 32.58 31.54 1mg2 s HIS 56 CO 0.01 -0.49 0.07 -0.06 -2.34 0.00 0.00 174.74 171.93 1mg2 s PHE 57 N 1.90 3.09 1.19 3.88 0.40 -0.63 -1.06 117.98 126.75 1mg2 s PHE 57 Ca 0.02 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1mg2 s PHE 57 Cb -0.15 -2.23 0.29 0.00 0.51 0.00 0.00 43.02 41.45 1mg2 s PHE 57 CO -0.07 -0.33 1.02 0.14 0.70 0.00 0.00 175.22 176.68 1mg2 s VAL 58 N 1.54 1.88 0.42 -0.44 -7.23 -1.26 0.03 120.40 115.33 1mg2 s VAL 58 Ca 0.06 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.97 1mg2 s VAL 58 Cb -0.15 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 1mg2 s VAL 58 CO 0.04 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.23 1mg2 s ALA 59 N -2.52 3.34 0.00 1.32 0.00 -1.26 -2.85 121.76 119.79 1mg2 s ALA 59 Ca 0.68 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1mg2 s ALA 59 Cb -0.22 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1mg2 s ALA 59 CO 0.63 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1mg2 n GLY 60 N 0.58 1.16 0.03 0.00 0.00 0.59 -4.84 105.19 102.72 1mg2 n GLY 60 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1mg2 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1mg2 h VAL 61 N 0.00 0.00 -0.01 1.61 2.07 -1.84 -3.41 116.25 114.67 1mg2 h VAL 61 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1mg2 h VAL 61 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1mg2 h VAL 61 CO 0.00 0.00 -0.45 0.18 0.02 0.00 0.00 177.57 177.32 1mg2 n LEU 62 N -3.44 1.61 0.00 2.57 4.77 -1.26 -4.90 117.00 116.35 1mg2 n LEU 62 Ca -0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1mg2 n LEU 62 Cb 0.08 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1mg2 n LEU 62 CO 0.03 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1mg2 n GLY 63 N 1.40 -1.29 0.13 -0.72 0.00 -1.26 -1.55 105.19 101.90 1mg2 n GLY 63 Ca 0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 0.02 -6.07 1.61 4.57 -1.95 0.17 114.58 112.93 1mg2 h GLU 64 Ca 0.00 -0.01 -0.60 0.00 -1.18 0.00 0.00 59.36 57.57 1mg2 h GLU 64 Cb 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 1mg2 h GLU 64 CO 0.00 0.65 -0.21 0.00 -1.18 0.00 0.00 179.01 178.27 1mg2 s ALA 65 N -3.57 3.70 0.66 2.92 0.00 -1.26 -2.64 121.76 121.57 1mg2 s ALA 65 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1mg2 s ALA 65 Cb 0.12 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1mg2 s ALA 65 CO 0.77 0.51 1.16 0.00 0.00 0.00 0.00 175.76 178.20 1mg2 s ALA 66 N -1.22 2.40 -0.35 0.00 0.00 -1.26 -4.42 121.76 116.91 1mg2 s ALA 66 Ca 0.28 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1mg2 s ALA 66 Cb -0.16 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1mg2 s ALA 66 CO 0.15 -1.37 0.11 -1.17 0.00 0.00 0.00 175.76 173.48 1mg2 s LEU 67 N -4.69 4.48 -0.75 0.00 0.20 0.10 -4.85 118.68 113.18 1mg2 s LEU 67 Ca 0.72 -1.43 -0.13 0.00 0.69 0.00 0.00 54.13 53.98 1mg2 s LEU 67 Cb -0.25 -1.82 0.20 0.00 -0.43 0.00 0.00 46.19 43.89 1mg2 s LEU 67 CO 0.39 -0.38 0.67 -0.54 -0.29 0.00 0.00 176.35 176.21 1mg2 s LYS 68 N 1.29 3.35 0.84 1.98 1.02 -1.26 -1.60 119.74 125.36 1mg2 s LYS 68 Ca -0.00 -2.35 -0.12 0.00 0.02 0.00 0.00 55.97 53.51 1mg2 s LYS 68 Cb -0.21 -4.30 0.10 0.00 -0.52 0.00 0.00 37.83 32.91 1mg2 s LYS 68 CO -0.00 -1.28 1.18 0.20 -0.92 0.00 0.00 175.35 174.53 1mg2 s GLY 69 N 2.16 1.99 0.51 -3.33 0.00 -0.57 -4.98 107.32 103.10 1mg2 s GLY 69 Ca 0.15 0.75 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 1mg2 s GLY 69 CO -0.06 1.17 1.14 2.56 0.00 0.00 0.00 173.10 177.90 1mg2 s PRO 70 N -4.33 3.51 0.09 2.90 0.04 -1.26 -4.60 135.00 131.35 1mg2 s PRO 70 Ca 0.71 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 63.10 1mg2 s PRO 70 Cb -0.26 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1mg2 s PRO 70 CO 0.53 -0.73 1.26 -1.64 0.04 0.00 0.00 177.00 176.46 1mg2 s MET 71 N -3.08 4.40 -0.05 4.56 -1.94 -1.26 -4.53 119.30 117.41 1mg2 s MET 71 Ca 0.69 1.87 -0.11 0.00 -1.71 0.00 0.00 55.69 56.43 1mg2 s MET 71 Cb -0.25 -3.31 -0.05 0.00 2.01 0.00 0.00 34.83 33.23 1mg2 s MET 71 CO 0.29 -0.30 0.30 -1.64 -0.01 0.00 0.00 175.02 173.66 1mg2 s MET 72 N 0.98 3.72 0.56 2.03 -1.94 0.32 -4.88 119.30 120.09 1mg2 s MET 72 Ca 0.60 0.18 0.07 0.00 -1.71 0.00 0.00 55.69 54.83 1mg2 s MET 72 Cb -0.32 -3.20 0.07 0.00 2.01 0.00 0.00 34.83 33.39 1mg2 s MET 72 CO 0.30 0.72 0.77 0.15 -0.01 0.00 0.00 175.02 176.95 1mg2 s LYS 73 N -1.09 2.35 0.01 2.03 1.02 -1.26 -2.49 119.74 120.30 1mg2 s LYS 73 Ca 0.21 -1.36 -0.36 0.00 0.02 0.00 0.00 55.97 54.48 1mg2 s LYS 73 Cb -0.15 -2.60 -0.14 0.00 -0.52 0.00 0.00 37.83 34.42 1mg2 s LYS 73 CO 0.10 -0.80 1.62 1.17 -0.92 0.00 0.00 175.35 176.51 1mg2 n LYS 74 N -2.26 1.73 -1.83 1.68 4.81 -1.19 -1.36 118.16 119.73 1mg2 n LYS 74 Ca 0.13 0.63 -0.10 0.00 -0.87 0.00 0.00 58.31 58.10 1mg2 n LYS 74 Cb 0.61 -2.37 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 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 4.30 -0.73 -4.20 1.64 -0.58 0.13 -4.98 120.64 116.21 1mg2 n GLU 75 Ca 0.20 0.61 -0.26 0.00 -0.42 0.00 0.00 57.16 57.29 1mg2 n GLU 75 Cb 0.24 -4.60 -0.08 0.00 -0.57 0.00 0.00 31.44 26.43 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 -3.83 2.42 0.15 3.49 -0.21 -0.46 -1.62 119.66 119.60 1mg2 s GLN 76 Ca 0.00 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 54.33 1mg2 s GLN 76 Cb 0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1mg2 s GLN 76 CO 0.00 0.45 -0.13 0.00 -2.12 0.00 0.00 175.29 173.49 1mg2 s ALA 77 N -1.76 1.63 -0.07 6.09 0.00 0.19 -2.30 121.76 125.54 1mg2 s ALA 77 Ca 0.28 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1mg2 s ALA 77 Cb -0.09 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1mg2 s ALA 77 CO 0.19 0.04 0.17 -0.47 0.00 0.00 0.00 175.76 175.68 1mg2 s TYR 78 N -2.71 -0.20 0.33 0.00 5.04 -0.69 -1.05 117.35 118.07 1mg2 s TYR 78 Ca 0.15 0.51 0.10 0.00 -2.44 0.00 0.00 57.07 55.38 1mg2 s TYR 78 Cb -0.02 0.01 -0.06 0.00 0.35 0.00 0.00 41.96 42.24 1mg2 s TYR 78 CO 0.03 -0.14 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.91 1mg2 s SER 79 N 0.66 3.88 -0.20 4.32 0.01 -1.26 -1.05 113.70 120.06 1mg2 s SER 79 Ca -0.05 -1.09 -0.08 0.00 1.31 0.00 0.00 55.95 56.04 1mg2 s SER 79 Cb -0.06 -0.42 0.08 0.00 0.21 0.00 0.00 66.02 65.83 1mg2 s SER 79 CO -0.03 -0.16 0.44 -0.76 0.41 0.00 0.00 173.24 173.13 1mg2 s LEU 80 N -3.63 -0.49 -0.39 2.44 1.43 -0.60 -4.29 118.68 113.16 1mg2 s LEU 80 Ca 0.33 1.00 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 1mg2 s LEU 80 Cb 0.00 1.43 0.01 0.00 0.03 0.00 0.00 46.19 47.66 1mg2 s LEU 80 CO 0.17 -0.22 0.32 -0.89 0.23 0.00 0.00 176.35 175.96 1mg2 s THR 81 N 2.17 5.23 0.09 5.49 2.01 -0.51 -0.90 115.64 129.21 1mg2 s THR 81 Ca -0.05 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1mg2 s THR 81 Cb -0.10 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1mg2 s THR 81 CO -0.13 -0.25 0.96 -0.36 -0.69 0.00 0.00 174.62 174.15 1mg2 s PHE 82 N 1.80 3.79 -0.15 4.92 0.40 -0.78 -1.15 117.98 126.80 1mg2 s PHE 82 Ca 0.07 1.77 0.17 0.00 -0.60 0.00 0.00 56.93 58.35 1mg2 s PHE 82 Cb -0.18 -3.06 0.33 0.00 0.51 0.00 0.00 43.02 40.63 1mg2 s PHE 82 CO 0.11 0.17 1.19 0.25 0.70 0.00 0.00 175.22 177.64 1mg2 n THR 83 N 2.97 1.99 -3.64 0.64 -2.24 -0.11 -0.59 114.28 113.30 1mg2 n THR 83 Ca 0.03 -2.41 -0.08 0.00 -2.27 0.00 0.00 64.05 59.31 1mg2 n THR 83 Cb 0.49 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.94 0.67 0.50 -0.78 2.12 -1.24 -4.86 118.70 112.17 1mg2 s GLU 84 Ca 0.34 1.03 -0.23 0.00 0.36 0.00 0.00 54.97 56.47 1mg2 s GLU 84 Cb 0.30 0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.82 1mg2 s GLU 84 CO 0.02 -0.12 1.24 0.00 -0.54 0.00 0.00 175.26 175.86 1mg2 n ALA 85 N 3.66 1.16 0.00 6.30 0.00 -1.26 -4.78 120.51 125.60 1mg2 n ALA 85 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mg2 n ALA 85 Cb 0.58 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1mg2 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg2 n GLY 86 N 0.89 0.46 3.26 0.00 0.00 0.19 -4.97 105.19 105.02 1mg2 n GLY 86 Ca 0.09 -1.66 -0.33 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 -1.50 2.68 -0.24 2.61 2.01 -1.26 -0.18 115.64 119.76 1mg2 s THR 87 Ca 0.00 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1mg2 s THR 87 Cb 0.00 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.42 1mg2 s THR 87 CO 0.00 0.51 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.00 1mg2 s TYR 88 N 0.93 3.17 0.32 4.92 2.02 -0.15 -4.96 117.35 123.59 1mg2 s TYR 88 Ca -0.03 -2.19 -0.11 0.00 -0.37 0.00 0.00 57.07 54.37 1mg2 s TYR 88 Cb -0.15 -1.93 -0.07 0.00 -0.40 0.00 0.00 41.96 39.41 1mg2 s TYR 88 CO -0.02 -0.87 0.68 -0.51 -1.57 0.00 0.00 175.55 173.27 1mg2 s ASP 89 N 1.14 6.63 0.22 2.29 1.11 -1.26 -1.23 116.67 125.56 1mg2 s ASP 89 Ca -0.06 1.10 -0.15 0.00 0.18 0.00 0.00 52.55 53.62 1mg2 s ASP 89 Cb -0.19 -2.30 0.01 0.00 1.07 0.00 0.00 42.92 41.51 1mg2 s ASP 89 CO -0.07 -0.23 0.49 -0.72 1.18 0.00 0.00 175.17 175.82 1mg2 s TYR 90 N -2.07 0.13 0.32 4.23 1.13 -0.52 -4.61 117.35 115.96 1mg2 s TYR 90 Ca 0.51 -0.50 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 1mg2 s TYR 90 Cb -0.10 0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 41.03 1mg2 s TYR 90 CO 0.23 -0.94 0.44 -3.38 -2.51 0.00 0.00 175.55 169.40 1mg2 s HIS 91 N -3.94 1.01 -0.17 -3.49 -3.43 -0.23 -0.92 115.29 104.12 1mg2 s HIS 91 Ca 0.15 -1.24 -0.14 0.00 -0.80 0.00 0.00 55.06 53.03 1mg2 s HIS 91 Cb -0.01 -0.11 -0.05 0.00 -1.43 0.00 0.00 32.58 30.99 1mg2 s HIS 91 CO 0.03 -1.08 0.31 0.00 -2.00 0.00 0.00 174.74 172.01 1mg2 h THR 93 N 4.75 0.00 0.00 0.00 2.02 -1.91 -1.89 112.91 115.88 1mg2 h THR 93 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1mg2 h THR 93 Cb 1.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1mg2 h THR 93 CO 0.75 0.00 0.00 1.55 0.37 0.00 0.00 175.52 178.19 1mg2 h PRO 94 N -0.37 0.00 -2.17 6.66 0.13 -1.96 -3.35 132.00 130.94 1mg2 h PRO 94 Ca 0.04 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.59 1mg2 h PRO 94 Cb 0.48 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.20 1mg2 h PRO 94 CO -0.39 0.00 -0.73 0.72 -0.23 0.00 0.00 178.00 177.37 1mg2 n HIS 95 N -2.33 2.88 0.18 1.56 8.25 -0.77 -4.93 115.22 120.06 1mg2 n HIS 95 Ca 0.04 -4.00 0.08 0.00 -0.26 0.00 0.00 57.72 53.58 1mg2 n HIS 95 Cb 0.36 -0.50 0.42 0.00 1.12 0.00 0.00 29.99 31.39 1mg2 n HIS 95 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mg2 h PRO 96 N 3.75 0.00 0.00 -0.41 0.13 -1.55 0.19 132.00 134.11 1mg2 h PRO 96 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1mg2 h PRO 96 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1mg2 h PRO 96 CO 0.75 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.79 1mg2 h PHE 97 N 0.00 0.00 -3.60 1.56 -0.00 -1.92 -3.41 116.94 109.57 1mg2 h PHE 97 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.34 1mg2 h PHE 97 Cb 0.55 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 36.36 1mg2 h PHE 97 CO 0.00 0.00 0.27 -1.64 -0.00 0.00 0.00 178.31 176.94 1mg2 s MET 98 N -3.23 3.44 0.05 6.09 -1.94 0.67 -5.03 119.30 119.33 1mg2 s MET 98 Ca 0.07 -0.12 0.09 0.00 -1.71 0.00 0.00 55.69 54.02 1mg2 s MET 98 Cb 0.10 -3.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1mg2 s MET 98 CO 0.52 -1.02 -0.24 1.03 -0.01 0.00 0.00 175.02 175.30 1mg2 s ARG 99 N 3.08 1.65 0.15 2.03 0.52 -1.26 -2.13 118.95 122.98 1mg2 s ARG 99 Ca 0.27 -1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1mg2 s ARG 99 Cb -0.13 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1mg2 s ARG 99 CO 0.20 0.47 0.07 0.20 0.02 0.00 0.00 175.30 176.25 1mg2 s GLY 100 N -1.22 1.08 -0.05 -3.53 0.00 -0.10 -4.76 107.32 98.74 1mg2 s GLY 100 Ca 0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.25 1mg2 s GLY 100 CO 0.02 -1.38 0.15 1.25 0.00 0.00 0.00 173.10 173.14 1mg2 s LYS 101 N -4.06 0.20 -0.22 2.90 2.20 0.17 -1.44 119.74 119.49 1mg2 s LYS 101 Ca 0.27 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1mg2 s LYS 101 Cb 0.07 0.09 0.05 0.00 -1.51 0.00 0.00 37.83 36.54 1mg2 s LYS 101 CO 0.04 -0.03 -0.09 0.08 -0.36 0.00 0.00 175.35 174.99 1mg2 s VAL 102 N -0.04 1.76 -0.53 4.02 1.01 -0.37 -1.68 120.40 124.58 1mg2 s VAL 102 Ca -0.01 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 1mg2 s VAL 102 Cb -0.02 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.55 1mg2 s VAL 102 CO 0.00 0.05 0.59 -0.69 0.00 0.00 0.00 175.10 175.05 1mg2 s VAL 103 N 1.31 4.97 -0.28 2.92 1.01 0.11 -0.97 120.40 129.47 1mg2 s VAL 103 Ca -0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1mg2 s VAL 103 Cb -0.18 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 1mg2 s VAL 103 CO -0.07 -0.86 0.63 -0.69 0.00 0.00 0.00 175.10 174.12 1mg2 s VAL 104 N 2.34 4.96 -0.79 2.92 1.01 0.75 -0.94 120.40 130.65 1mg2 s VAL 104 Ca 0.11 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1mg2 s VAL 104 Cb -0.23 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1mg2 s VAL 104 CO 0.08 -0.05 0.70 -0.62 0.00 0.00 0.00 175.10 175.21