#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 0.63 -3.78 -0.67 4.01 -0.47 -4.85 118.16 113.04 1mg3 n LYS 2 Ca 0.00 0.05 -0.10 0.00 -0.51 0.00 0.00 58.31 57.75 1mg3 n LYS 2 Cb 0.00 -1.71 -0.06 0.00 -0.51 0.00 0.00 35.03 32.76 1mg3 n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mg3 s ALA 3 N -3.21 -0.55 0.14 7.82 0.00 -1.26 -0.14 121.76 124.56 1mg3 s ALA 3 Ca -0.04 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1mg3 s ALA 3 Cb 0.10 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 1mg3 s ALA 3 CO 0.83 -0.65 -0.16 0.95 0.00 0.00 0.00 175.76 176.73 1mg3 s THR 4 N -3.87 1.55 -0.39 0.00 -4.23 -0.40 -4.92 115.64 103.38 1mg3 s THR 4 Ca 0.08 -1.79 -0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1mg3 s THR 4 Cb 0.02 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1mg3 s THR 4 CO -0.07 -0.35 0.25 -0.63 -0.54 0.00 0.00 174.62 173.27 1mg3 s ILE 5 N -2.04 4.91 0.08 2.99 1.09 -1.26 -1.22 121.20 125.74 1mg3 s ILE 5 Ca 0.11 -0.72 -0.34 0.00 -1.10 0.00 0.00 60.65 58.60 1mg3 s ILE 5 Cb -0.05 -3.72 -0.18 0.00 -1.06 0.00 0.00 42.46 37.45 1mg3 s ILE 5 CO 0.04 -0.24 1.61 -0.65 -0.10 0.00 0.00 174.94 175.60 1mg3 h PRO 6 N 8.52 -0.93 -4.53 2.79 0.11 -1.95 -3.40 132.00 132.60 1mg3 h PRO 6 Ca -0.27 0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.31 1mg3 h PRO 6 Cb 1.12 0.21 -0.37 0.00 0.11 0.00 0.00 31.00 32.07 1mg3 h PRO 6 CO 0.69 -0.62 -0.81 0.45 -0.21 0.00 0.00 178.00 177.50 1mg3 s SER 7 N -4.36 3.03 0.62 -2.05 0.15 -1.26 -5.00 113.70 104.82 1mg3 s SER 7 Ca -0.18 -0.70 0.40 0.00 0.70 0.00 0.00 55.95 56.18 1mg3 s SER 7 Cb 0.04 -1.15 1.99 0.00 -1.71 0.00 0.00 66.02 65.19 1mg3 s SER 7 CO 0.62 -0.12 2.21 -0.08 1.20 0.00 0.00 173.24 177.07 1mg3 h GLU 8 N 8.03 0.00 -6.28 5.44 4.22 -1.96 -3.43 114.58 120.61 1mg3 h GLU 8 Ca -0.31 0.00 -0.66 0.00 0.08 0.00 0.00 59.36 58.47 1mg3 h GLU 8 Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 1mg3 h GLU 8 CO 0.48 0.00 -0.67 -1.12 -2.18 0.00 0.00 179.01 175.52 1mg3 s SER 9 N -5.37 4.92 0.76 1.04 0.01 -1.26 -4.74 113.70 109.05 1mg3 s SER 9 Ca -0.02 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.97 1mg3 s SER 9 Cb 0.11 -1.19 0.05 0.00 0.21 0.00 0.00 66.02 65.20 1mg3 s SER 9 CO 0.47 0.24 1.23 -2.84 0.41 0.00 0.00 173.24 172.74 1mg3 s PRO 10 N -1.82 1.92 0.29 12.44 0.02 -1.26 -4.94 135.00 141.65 1mg3 s PRO 10 Ca 0.21 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1mg3 s PRO 10 Cb -0.11 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1mg3 s PRO 10 CO 0.13 -2.02 0.10 -0.59 -0.33 0.00 0.00 177.00 174.29 1mg3 s PHE 11 N -1.93 1.64 0.19 6.54 -0.71 -0.48 -4.90 117.98 118.32 1mg3 s PHE 11 Ca 0.76 -1.19 -0.33 0.00 -1.04 0.00 0.00 56.93 55.13 1mg3 s PHE 11 Cb -0.31 -0.97 -0.13 0.00 -1.21 0.00 0.00 43.02 40.40 1mg3 s PHE 11 CO 0.47 -0.31 1.66 0.00 -1.34 0.00 0.00 175.22 175.70 1mg3 n ALA 12 N -0.55 2.17 0.04 1.99 0.00 -1.26 -0.45 120.51 122.44 1mg3 n ALA 12 Ca -0.01 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.87 1mg3 n ALA 12 Cb 0.66 -2.45 0.36 0.00 0.00 0.00 0.00 19.45 18.02 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 6.37 1.50 -0.86 0.00 0.00 -1.72 -1.31 119.26 123.24 1mg3 h ALA 13 Ca -0.44 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.51 1mg3 h ALA 13 Cb 1.23 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1mg3 h ALA 13 CO 0.92 0.37 0.58 0.00 0.00 0.00 0.00 179.25 181.12 1mg3 h ALA 14 N 1.60 2.25 0.00 0.00 0.00 -1.89 0.10 119.26 121.33 1mg3 h ALA 14 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1mg3 h ALA 14 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1mg3 h ALA 14 CO 0.00 -0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.13 1mg3 n GLU 15 N -4.48 0.00 -2.25 0.00 1.02 -0.49 -4.79 120.64 109.65 1mg3 n GLU 15 Ca 0.18 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 57.08 1mg3 n GLU 15 Cb 0.69 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -3.00 3.25 0.45 2.62 1.01 0.36 -4.97 120.40 120.11 1mg3 s VAL 16 Ca 0.09 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.90 1mg3 s VAL 16 Cb 0.13 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1mg3 s VAL 16 CO 0.35 0.17 1.22 0.00 0.00 0.00 0.00 175.10 176.84 1mg3 s ALA 17 N -0.08 3.03 0.39 5.51 0.00 -1.26 -4.98 121.76 124.36 1mg3 s ALA 17 Ca 0.55 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 53.29 1mg3 s ALA 17 Cb -0.36 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 1mg3 s ALA 17 CO 0.39 -0.77 1.26 -0.51 0.00 0.00 0.00 175.76 176.13 1mg3 s ASP 18 N -1.16 6.46 0.00 0.00 -0.00 -1.26 -2.32 116.67 118.39 1mg3 s ASP 18 Ca 0.63 2.56 0.00 0.00 -0.00 0.00 0.00 52.55 55.73 1mg3 s ASP 18 Cb -0.32 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 39.97 1mg3 s ASP 18 CO 0.39 -0.74 0.00 0.61 -0.00 0.00 0.00 175.17 175.44 1mg3 n GLY 19 N 0.70 2.93 3.77 0.21 0.00 -1.26 -5.00 105.19 106.54 1mg3 n GLY 19 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.10 3.25 -0.04 4.61 0.00 -0.98 -4.88 121.76 121.61 1mg3 s ALA 20 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1mg3 s ALA 20 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1mg3 s ALA 20 CO 0.00 -1.09 1.99 0.42 0.00 0.00 0.00 175.76 177.08 1mg3 s ILE 21 N -1.22 3.08 0.10 0.00 1.01 -1.26 -4.96 121.20 117.96 1mg3 s ILE 21 Ca 0.60 0.10 0.07 0.00 0.00 0.00 0.00 60.65 61.42 1mg3 s ILE 21 Cb -0.42 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1mg3 s ILE 21 CO 0.54 -0.02 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1mg3 s VAL 22 N 5.32 1.52 -0.27 2.92 1.01 -1.26 -1.19 120.40 128.45 1mg3 s VAL 22 Ca 0.89 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1mg3 s VAL 22 Cb -0.39 -1.45 0.09 0.00 0.00 0.00 0.00 36.38 34.62 1mg3 s VAL 22 CO 0.39 -0.17 0.07 -0.69 0.00 0.00 0.00 175.10 174.70 1mg3 s VAL 23 N -1.38 0.77 0.33 2.92 1.01 -0.19 -4.91 120.40 118.94 1mg3 s VAL 23 Ca 0.05 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1mg3 s VAL 23 Cb -0.09 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 1mg3 s VAL 23 CO 0.04 -0.50 1.06 -1.81 0.00 0.00 0.00 175.10 173.89 1mg3 s ASP 24 N 1.70 7.05 -0.14 3.32 1.01 -1.26 -2.18 116.67 126.17 1mg3 s ASP 24 Ca 0.05 2.14 -0.00 0.00 0.71 0.00 0.00 52.55 55.45 1mg3 s ASP 24 Cb -0.17 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 1mg3 s ASP 24 CO -0.20 -0.29 -0.14 -0.63 0.21 0.00 0.00 175.17 174.13 1mg3 s ILE 25 N -1.40 2.90 0.04 0.77 1.01 -0.27 -1.09 121.20 123.17 1mg3 s ILE 25 Ca 0.50 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 60.18 1mg3 s ILE 25 Cb -0.27 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.07 1mg3 s ILE 25 CO 0.34 0.52 0.81 0.00 0.00 0.00 0.00 174.94 176.61 1mg3 s ALA 26 N 0.59 -1.76 -1.43 9.38 0.00 -0.69 -0.36 121.76 127.49 1mg3 s ALA 26 Ca -0.08 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1mg3 s ALA 26 Cb -0.16 0.55 0.11 0.00 0.00 0.00 0.00 23.12 23.63 1mg3 s ALA 26 CO 0.03 -0.72 0.62 1.63 0.00 0.00 0.00 175.76 177.32 1mg3 n LYS 27 N -0.29 -3.27 -3.47 0.00 4.76 -1.26 -0.74 118.16 113.90 1mg3 n LYS 27 Ca -0.11 0.40 -0.20 0.00 -2.87 0.00 0.00 58.31 55.54 1mg3 n LYS 27 Cb 0.63 -5.12 0.08 0.00 -1.84 0.00 0.00 35.03 28.78 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 -3.99 -7.06 -3.53 1.97 2.81 -1.26 -5.00 117.12 101.05 1mg3 n MET 28 Ca 0.03 0.81 -0.15 0.00 -1.81 0.00 0.00 57.70 56.58 1mg3 n MET 28 Cb 0.51 -5.75 -0.05 0.00 -0.71 0.00 0.00 33.22 27.22 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 -5.81 0.93 -0.51 0.03 -2.85 0.08 -4.88 119.74 106.73 1mg3 s LYS 29 Ca 0.29 0.15 -0.25 0.00 -1.00 0.00 0.00 55.97 55.16 1mg3 s LYS 29 Cb -0.13 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 36.11 1mg3 s LYS 29 CO 0.70 -0.30 0.98 0.71 0.10 0.00 0.00 175.35 177.54 1mg3 s TYR 30 N -1.43 2.82 0.59 1.78 2.02 -1.26 -1.70 117.35 120.18 1mg3 s TYR 30 Ca -0.07 0.25 0.29 0.00 -0.37 0.00 0.00 57.07 57.17 1mg3 s TYR 30 Cb -0.00 -4.11 1.60 0.00 -0.40 0.00 0.00 41.96 39.04 1mg3 s TYR 30 CO 0.05 -1.28 2.02 0.93 -1.57 0.00 0.00 175.55 175.70 1mg3 h GLU 31 N 9.25 0.00 -2.80 -0.62 4.39 -1.42 -3.15 114.58 120.22 1mg3 h GLU 31 Ca -0.25 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.84 1mg3 h GLU 31 Cb 1.07 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.30 1mg3 h GLU 31 CO 1.08 0.00 -0.61 2.41 -1.16 0.00 0.00 179.01 180.73 1mg3 n THR 32 N -3.71 1.59 -0.04 1.13 -1.04 -1.26 -4.96 114.28 105.98 1mg3 n THR 32 Ca 0.04 -4.85 0.25 0.00 -2.04 0.00 0.00 64.05 57.45 1mg3 n THR 32 Cb 0.45 -2.13 0.70 0.00 -1.82 0.00 0.00 70.33 67.53 1mg3 n THR 32 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1mg3 h PRO 33 N 5.08 0.00 -2.03 -2.82 0.11 -1.87 -3.26 132.00 127.21 1mg3 h PRO 33 Ca 0.17 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.71 1mg3 h PRO 33 Cb 0.74 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.46 1mg3 h PRO 33 CO 0.72 0.00 -1.04 -1.91 -0.21 0.00 0.00 178.00 175.56 1mg3 n GLU 34 N -3.78 0.97 -2.01 1.05 2.13 -1.26 -1.17 120.64 116.57 1mg3 n GLU 34 Ca 0.14 -3.42 -0.40 0.00 0.66 0.00 0.00 57.16 54.13 1mg3 n GLU 34 Cb 0.88 -1.36 -0.01 0.00 0.27 0.00 0.00 31.44 31.23 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 -1.37 4.28 -0.12 4.31 0.20 -0.95 -4.85 118.68 120.18 1mg3 s LEU 35 Ca 0.36 2.75 0.03 0.00 0.69 0.00 0.00 54.13 57.96 1mg3 s LEU 35 Cb 0.17 -3.80 0.01 0.00 -0.43 0.00 0.00 46.19 42.14 1mg3 s LEU 35 CO -0.10 -0.80 -0.21 -1.00 -0.29 0.00 0.00 176.35 173.96 1mg3 s HIS 36 N -1.20 2.48 0.22 5.38 3.76 -1.26 -0.08 115.29 124.60 1mg3 s HIS 36 Ca 0.54 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1mg3 s HIS 36 Cb -0.40 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 1mg3 s HIS 36 CO 0.53 -0.54 0.15 0.14 -0.85 0.00 0.00 174.74 174.17 1mg3 s VAL 37 N 0.75 0.03 0.11 -0.90 -7.23 0.11 -4.96 120.40 108.32 1mg3 s VAL 37 Ca -0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1mg3 s VAL 37 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1mg3 s VAL 37 CO 0.00 0.00 0.21 -0.54 -0.31 0.00 0.00 175.10 174.46 1mg3 s LYS 38 N -4.04 3.28 0.22 4.82 -0.14 -1.26 -0.26 119.74 122.35 1mg3 s LYS 38 Ca 0.39 -0.61 -0.32 0.00 -1.36 0.00 0.00 55.97 54.08 1mg3 s LYS 38 Cb 0.06 -2.90 -0.14 0.00 -1.68 0.00 0.00 37.83 33.17 1mg3 s LYS 38 CO 0.15 0.55 1.41 0.28 -0.76 0.00 0.00 175.35 176.97 1mg3 n VAL 39 N -0.12 0.79 0.00 3.17 0.31 -1.26 -1.02 118.33 120.20 1mg3 n VAL 39 Ca -0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1mg3 n VAL 39 Cb 0.53 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 2.33 3.02 3.68 2.92 0.00 0.11 -4.99 105.19 112.25 1mg3 n GLY 40 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 1.57 -4.34 1.61 8.00 -0.19 -4.65 116.55 118.55 1mg3 n ASP 41 Ca 0.00 0.85 -0.35 0.00 0.71 0.00 0.00 54.79 56.00 1mg3 n ASP 41 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 41.12 39.48 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 -1.42 3.50 -0.08 -3.53 2.01 -1.26 -2.43 115.64 112.42 1mg3 s THR 42 Ca 0.77 -0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 1mg3 s THR 42 Cb -0.41 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1mg3 s THR 42 CO 0.45 0.42 0.39 -0.69 -0.69 0.00 0.00 174.62 174.50 1mg3 s VAL 43 N 1.38 5.17 -0.17 3.82 1.01 0.22 -4.30 120.40 127.53 1mg3 s VAL 43 Ca 0.05 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1mg3 s VAL 43 Cb -0.14 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1mg3 s VAL 43 CO -0.02 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1mg3 s THR 44 N -0.17 2.08 0.01 3.92 2.01 -0.34 -1.31 115.64 121.84 1mg3 s THR 44 Ca 0.22 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 1mg3 s THR 44 Cb -0.15 -1.86 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 1mg3 s THR 44 CO 0.10 0.54 0.41 0.26 -0.69 0.00 0.00 174.62 175.24 1mg3 s TRP 45 N 1.13 3.72 -0.12 4.92 0.51 0.19 -1.02 118.94 128.27 1mg3 s TRP 45 Ca 0.01 0.99 -0.02 0.00 -2.12 0.00 0.00 56.10 54.96 1mg3 s TRP 45 Cb -0.14 -2.29 0.04 0.00 -0.81 0.00 0.00 33.47 30.27 1mg3 s TRP 45 CO -0.09 0.63 0.01 0.42 -0.51 0.00 0.00 176.95 177.41 1mg3 s ILE 46 N -1.11 0.50 0.01 2.03 1.01 -0.92 -1.08 121.20 121.64 1mg3 s ILE 46 Ca 0.25 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1mg3 s ILE 46 Cb -0.17 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1mg3 s ILE 46 CO 0.14 0.10 1.16 0.21 0.00 0.00 0.00 174.94 176.55 1mg3 s ASN 47 N 1.90 7.12 0.00 3.58 3.84 -0.74 -1.11 114.94 129.53 1mg3 s ASN 47 Ca 0.03 1.88 0.16 0.00 0.21 0.00 0.00 52.86 55.14 1mg3 s ASN 47 Cb -0.14 -2.57 0.20 0.00 -0.55 0.00 0.00 41.25 38.19 1mg3 s ASN 47 CO -0.07 -0.47 1.09 0.54 -2.79 0.00 0.00 177.10 175.41 1mg3 n ARG 48 N 4.34 1.60 -4.50 0.43 5.12 0.52 -0.55 116.66 123.61 1mg3 n ARG 48 Ca 0.09 -1.65 -0.25 0.00 -1.93 0.00 0.00 57.85 54.11 1mg3 n ARG 48 Cb 0.47 -1.33 -0.09 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.28 1.86 0.15 5.56 -1.05 -1.26 -4.73 118.70 117.96 1mg3 s GLU 49 Ca 0.22 -2.11 -0.13 0.00 -0.15 0.00 0.00 54.97 52.80 1mg3 s GLU 49 Cb 0.14 -0.68 0.03 0.00 -0.44 0.00 0.00 34.13 33.19 1mg3 s GLU 49 CO 0.21 -0.41 1.65 0.00 0.95 0.00 0.00 175.26 177.66 1mg3 h ALA 50 N 1.86 0.68 -1.85 -0.84 0.00 -1.95 -2.93 119.26 114.23 1mg3 h ALA 50 Ca -0.37 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 1mg3 h ALA 50 Cb 1.27 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1mg3 h ALA 50 CO 0.60 0.40 1.19 -0.12 0.00 0.00 0.00 179.25 181.32 1mg3 n MET 51 N -4.42 1.94 -1.89 0.00 0.00 -1.26 -4.39 117.12 107.10 1mg3 n MET 51 Ca 0.02 0.68 -0.38 0.00 0.00 0.00 0.00 57.70 58.01 1mg3 n MET 51 Cb 0.24 -2.66 0.03 0.00 0.00 0.00 0.00 33.22 30.83 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 4.68 3.28 0.06 2.12 0.02 -1.26 -4.82 135.00 139.07 1mg3 s PRO 52 Ca 0.97 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 64.00 1mg3 s PRO 52 Cb -0.69 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 31.55 1mg3 s PRO 52 CO 0.50 -1.05 0.25 -1.01 -0.33 0.00 0.00 177.00 175.36 1mg3 s HIS 53 N -1.36 -0.01 0.17 6.54 3.76 -0.97 -4.92 115.29 118.50 1mg3 s HIS 53 Ca 0.70 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1mg3 s HIS 53 Cb -0.38 0.03 -0.00 0.00 1.11 0.00 0.00 32.58 33.35 1mg3 s HIS 53 CO 0.45 -0.50 0.21 0.27 -0.85 0.00 0.00 174.74 174.32 1mg3 n ASN 54 N 0.43 -0.59 -4.19 1.40 6.94 -1.26 0.14 115.26 118.13 1mg3 n ASN 54 Ca -0.18 -1.96 -0.27 0.00 -0.02 0.00 0.00 54.58 52.15 1mg3 n ASN 54 Cb 0.60 1.14 -0.16 0.00 -2.36 0.00 0.00 39.78 39.00 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 -2.63 1.57 -0.14 3.53 -7.23 -1.26 -4.41 120.40 109.84 1mg3 s VAL 55 Ca 0.15 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1mg3 s VAL 55 Cb -0.00 -1.32 0.05 0.00 0.56 0.00 0.00 36.38 35.66 1mg3 s VAL 55 CO 0.11 0.45 0.06 -2.28 -0.31 0.00 0.00 175.10 173.12 1mg3 s HIS 56 N -0.27 0.49 -0.29 2.82 5.04 0.24 -1.38 115.29 121.93 1mg3 s HIS 56 Ca 0.03 -0.35 -0.10 0.00 -1.54 0.00 0.00 55.06 53.10 1mg3 s HIS 56 Cb -0.10 -0.77 -0.03 0.00 0.04 0.00 0.00 32.58 31.73 1mg3 s HIS 56 CO 0.01 -0.46 0.16 -0.06 -2.34 0.00 0.00 174.74 172.05 1mg3 s PHE 57 N 2.04 3.18 1.02 3.88 0.40 -0.27 -1.52 117.98 126.71 1mg3 s PHE 57 Ca 0.02 -0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1mg3 s PHE 57 Cb -0.15 -2.36 0.20 0.00 0.51 0.00 0.00 43.02 41.22 1mg3 s PHE 57 CO -0.07 -0.32 1.08 0.14 0.70 0.00 0.00 175.22 176.74 1mg3 s VAL 58 N 1.68 2.22 0.39 -0.44 -7.23 -1.26 0.33 120.40 116.09 1mg3 s VAL 58 Ca 0.06 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 60.04 1mg3 s VAL 58 Cb -0.16 -2.29 -0.11 0.00 0.56 0.00 0.00 36.38 34.38 1mg3 s VAL 58 CO 0.08 -0.09 1.22 0.00 -0.31 0.00 0.00 175.10 176.00 1mg3 n ALA 59 N -4.42 1.04 -0.65 1.32 0.00 -1.26 -2.76 120.51 113.78 1mg3 n ALA 59 Ca 0.06 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1mg3 n ALA 59 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1mg3 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 60 N 0.88 0.87 0.08 0.00 0.00 0.11 -4.86 105.19 102.27 1mg3 n GLY 60 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 1.44 0.56 1.61 0.31 -1.11 -4.61 118.33 114.52 1mg3 n VAL 61 Ca 0.00 0.18 0.09 0.00 -0.01 0.00 0.00 64.34 64.60 1mg3 n VAL 61 Cb 0.00 -2.35 -0.12 0.00 -0.91 0.00 0.00 33.84 30.46 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 -4.57 0.56 -3.87 7.52 4.77 -1.26 -4.92 117.00 115.23 1mg3 n LEU 62 Ca -0.11 -0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 55.53 1mg3 n LEU 62 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1mg3 n LEU 62 CO 0.13 0.14 0.87 -0.83 -1.33 0.00 0.00 177.39 176.37 1mg3 s GLY 63 N -3.26 -0.01 0.30 -0.72 0.00 -1.26 -1.36 107.32 101.00 1mg3 s GLY 63 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 1mg3 s GLY 63 CO 0.77 2.52 1.93 -2.09 0.00 0.00 0.00 173.10 176.23 1mg3 h GLU 64 N 2.00 1.01 -6.17 2.90 4.57 -1.95 0.31 114.58 117.24 1mg3 h GLU 64 Ca -0.26 -0.10 -0.58 0.00 -1.18 0.00 0.00 59.36 57.24 1mg3 h GLU 64 Cb 1.21 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1mg3 h GLU 64 CO 0.33 0.72 -0.31 0.00 -1.18 0.00 0.00 179.01 178.58 1mg3 s ALA 65 N -5.72 3.78 0.81 2.92 0.00 -1.26 -2.85 121.76 119.44 1mg3 s ALA 65 Ca -0.11 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1mg3 s ALA 65 Cb 0.17 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.23 1mg3 s ALA 65 CO 0.79 0.67 1.09 0.00 0.00 0.00 0.00 175.76 178.31 1mg3 s ALA 66 N -1.66 2.07 -0.35 0.00 0.00 -1.26 -4.36 121.76 116.20 1mg3 s ALA 66 Ca 0.41 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1mg3 s ALA 66 Cb -0.12 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1mg3 s ALA 66 CO 0.24 -1.90 0.08 -1.17 0.00 0.00 0.00 175.76 173.00 1mg3 s LEU 67 N -5.98 4.81 -0.84 0.00 2.96 0.15 -4.87 118.68 114.92 1mg3 s LEU 67 Ca 0.62 -2.09 -0.15 0.00 -0.22 0.00 0.00 54.13 52.28 1mg3 s LEU 67 Cb -0.17 -1.67 0.20 0.00 0.50 0.00 0.00 46.19 45.05 1mg3 s LEU 67 CO 0.56 -0.41 0.83 -0.54 -1.32 0.00 0.00 176.35 175.47 1mg3 s LYS 68 N 0.96 3.58 0.98 1.98 1.02 -1.26 -1.12 119.74 125.89 1mg3 s LYS 68 Ca 0.09 -2.30 -0.12 0.00 0.02 0.00 0.00 55.97 53.66 1mg3 s LYS 68 Cb -0.20 -4.52 0.12 0.00 -0.52 0.00 0.00 37.83 32.72 1mg3 s LYS 68 CO -0.07 -1.39 0.76 0.41 -0.92 0.00 0.00 175.35 174.14 1mg3 n GLY 69 N 4.30 -1.36 3.79 -3.33 0.00 -0.48 -4.97 105.19 103.13 1mg3 n GLY 69 Ca 0.15 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.14 4.38 0.22 1.61 0.04 -1.26 -4.63 135.00 131.22 1mg3 s PRO 70 Ca 0.62 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1mg3 s PRO 70 Cb -0.22 -2.63 -0.11 0.00 0.04 0.00 0.00 34.50 31.59 1mg3 s PRO 70 CO 0.63 0.07 1.56 -1.64 0.04 0.00 0.00 177.00 177.66 1mg3 s MET 71 N -2.36 4.20 -0.15 4.56 -1.94 -1.26 -4.58 119.30 117.77 1mg3 s MET 71 Ca 0.55 2.43 -0.08 0.00 -1.71 0.00 0.00 55.69 56.87 1mg3 s MET 71 Cb -0.19 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 1mg3 s MET 71 CO 0.24 -0.58 0.13 -1.64 -0.01 0.00 0.00 175.02 173.17 1mg3 s MET 72 N 0.34 3.70 0.68 2.03 -1.94 0.38 -4.88 119.30 119.61 1mg3 s MET 72 Ca 0.66 -0.17 -0.00 0.00 -1.71 0.00 0.00 55.69 54.47 1mg3 s MET 72 Cb -0.45 -3.26 0.11 0.00 2.01 0.00 0.00 34.83 33.23 1mg3 s MET 72 CO 0.39 0.61 0.95 0.15 -0.01 0.00 0.00 175.02 177.10 1mg3 s LYS 73 N -0.53 1.87 0.20 2.03 1.02 -1.26 -2.30 119.74 120.77 1mg3 s LYS 73 Ca 0.12 -1.03 -0.32 0.00 0.02 0.00 0.00 55.97 54.77 1mg3 s LYS 73 Cb -0.12 -2.36 -0.15 0.00 -0.52 0.00 0.00 37.83 34.69 1mg3 s LYS 73 CO 0.02 -1.29 1.29 1.17 -0.92 0.00 0.00 175.35 175.62 1mg3 n LYS 74 N -2.73 1.60 -3.23 1.68 4.81 -1.11 -1.64 118.16 117.55 1mg3 n LYS 74 Ca 0.13 0.57 -0.23 0.00 -0.87 0.00 0.00 58.31 57.91 1mg3 n LYS 74 Cb 0.60 -2.16 0.05 0.00 0.02 0.00 0.00 35.03 33.55 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 1.95 -6.02 -5.19 1.64 -0.58 0.28 -4.98 120.64 107.75 1mg3 n GLU 75 Ca 0.13 0.89 -0.30 0.00 -0.42 0.00 0.00 57.16 57.47 1mg3 n GLU 75 Cb 0.28 -5.82 -0.16 0.00 -0.57 0.00 0.00 31.44 25.16 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 -5.92 2.03 0.24 3.49 -0.21 -0.65 -1.97 119.66 116.66 1mg3 s GLN 76 Ca 0.41 -0.85 0.10 0.00 0.02 0.00 0.00 55.36 55.04 1mg3 s GLN 76 Cb -0.18 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1mg3 s GLN 76 CO 0.50 0.48 -0.11 0.00 -2.12 0.00 0.00 175.29 174.04 1mg3 s ALA 77 N -0.47 2.91 -0.03 6.09 0.00 0.40 -1.80 121.76 128.87 1mg3 s ALA 77 Ca 0.06 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 1mg3 s ALA 77 Cb -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1mg3 s ALA 77 CO -0.00 0.34 0.08 -0.47 0.00 0.00 0.00 175.76 175.70 1mg3 s TYR 78 N -2.15 -0.06 0.14 0.00 5.04 -0.24 -1.39 117.35 118.68 1mg3 s TYR 78 Ca 0.28 0.15 0.07 0.00 -2.44 0.00 0.00 57.07 55.13 1mg3 s TYR 78 Cb -0.07 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.22 1mg3 s TYR 78 CO 0.16 -0.06 -0.16 -1.12 -1.34 0.00 0.00 175.55 173.03 1mg3 s SER 79 N -0.11 2.31 -0.00 4.32 0.01 -1.26 0.55 113.70 119.52 1mg3 s SER 79 Ca -0.02 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.42 1mg3 s SER 79 Cb -0.01 -0.11 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1mg3 s SER 79 CO 0.00 -0.08 0.02 -0.76 0.41 0.00 0.00 173.24 172.83 1mg3 s LEU 80 N -2.48 1.97 -0.29 2.44 1.43 -0.42 -4.09 118.68 117.23 1mg3 s LEU 80 Ca 0.11 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1mg3 s LEU 80 Cb -0.06 0.12 0.06 0.00 0.03 0.00 0.00 46.19 46.34 1mg3 s LEU 80 CO 0.05 -0.10 -0.04 -0.89 0.23 0.00 0.00 176.35 175.60 1mg3 s THR 81 N -0.42 2.67 0.08 5.49 2.01 -0.36 -0.61 115.64 124.50 1mg3 s THR 81 Ca -0.05 -1.51 -0.30 0.00 0.31 0.00 0.00 61.69 60.14 1mg3 s THR 81 Cb -0.03 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1mg3 s THR 81 CO -0.00 -0.10 1.00 -0.36 -0.69 0.00 0.00 174.62 174.47 1mg3 s PHE 82 N 1.19 3.71 -0.12 4.92 0.40 -1.02 -1.27 117.98 125.78 1mg3 s PHE 82 Ca -0.06 1.71 0.14 0.00 -0.60 0.00 0.00 56.93 58.13 1mg3 s PHE 82 Cb -0.20 -3.12 0.31 0.00 0.51 0.00 0.00 43.02 40.51 1mg3 s PHE 82 CO -0.03 -0.05 1.15 0.25 0.70 0.00 0.00 175.22 177.24 1mg3 n THR 83 N 3.19 1.48 -3.58 0.64 -2.24 0.80 0.08 114.28 114.66 1mg3 n THR 83 Ca 0.04 -2.10 -0.01 0.00 -2.27 0.00 0.00 64.05 59.72 1mg3 n THR 83 Cb 0.49 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1mg3 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mg3 s GLU 84 N -2.22 0.50 0.51 -0.78 2.12 -1.25 -4.82 118.70 112.76 1mg3 s GLU 84 Ca 0.29 1.22 -0.22 0.00 0.36 0.00 0.00 54.97 56.63 1mg3 s GLU 84 Cb 0.28 0.70 -0.07 0.00 0.26 0.00 0.00 34.13 35.29 1mg3 s GLU 84 CO -0.03 -0.17 1.11 0.00 -0.54 0.00 0.00 175.26 175.63 1mg3 n ALA 85 N 5.21 0.67 0.00 6.30 0.00 -1.26 -4.86 120.51 126.57 1mg3 n ALA 85 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1mg3 n ALA 85 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1mg3 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 86 N 1.07 -0.80 3.29 0.00 0.00 -0.21 -4.97 105.19 103.56 1mg3 n GLY 86 Ca 0.10 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.56 2.56 -0.13 2.61 2.01 -1.26 -1.01 115.64 118.86 1mg3 s THR 87 Ca 0.00 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1mg3 s THR 87 Cb 0.00 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.49 1mg3 s THR 87 CO 0.00 0.54 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.00 1mg3 s TYR 88 N 0.43 2.15 -0.00 4.92 2.02 -0.68 -4.97 117.35 121.21 1mg3 s TYR 88 Ca -0.13 -1.09 -0.09 0.00 -0.37 0.00 0.00 57.07 55.39 1mg3 s TYR 88 Cb -0.17 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 1mg3 s TYR 88 CO 0.06 -0.56 0.30 -0.51 -1.57 0.00 0.00 175.55 173.27 1mg3 s ASP 89 N 1.11 6.57 0.15 2.29 1.11 -1.26 -0.71 116.67 125.93 1mg3 s ASP 89 Ca -0.03 0.67 -0.02 0.00 0.18 0.00 0.00 52.55 53.36 1mg3 s ASP 89 Cb -0.14 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 1mg3 s ASP 89 CO -0.04 0.28 0.09 -0.72 1.18 0.00 0.00 175.17 175.96 1mg3 s TYR 90 N -1.22 0.89 0.32 4.23 1.13 0.01 -4.61 117.35 118.11 1mg3 s TYR 90 Ca 0.25 -1.23 -0.03 0.00 -1.41 0.00 0.00 57.07 54.65 1mg3 s TYR 90 Cb -0.14 -0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1mg3 s TYR 90 CO 0.14 -0.56 0.44 -3.38 -2.51 0.00 0.00 175.55 169.67 1mg3 s HIS 91 N -4.07 1.03 -0.17 -3.49 -3.43 -0.57 -1.78 115.29 102.81 1mg3 s HIS 91 Ca 0.27 -1.26 -0.14 0.00 -0.80 0.00 0.00 55.06 53.13 1mg3 s HIS 91 Cb 0.07 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 31.05 1mg3 s HIS 91 CO 0.04 -1.07 0.32 0.00 -2.00 0.00 0.00 174.74 172.04 1mg3 h THR 93 N 4.77 0.03 0.00 0.00 2.02 -1.92 -2.34 112.91 115.47 1mg3 h THR 93 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1mg3 h THR 93 Cb 1.17 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1mg3 h THR 93 CO 0.75 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.83 1mg3 n PRO 94 N -5.54 0.20 -3.29 6.66 -0.04 -1.26 -3.95 135.00 127.78 1mg3 n PRO 94 Ca -0.11 0.34 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 1mg3 n PRO 94 Cb 0.45 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.19 2.55 0.30 0.54 8.25 -0.92 -4.93 115.22 118.82 1mg3 n HIS 95 Ca 0.03 -3.97 0.14 0.00 -0.26 0.00 0.00 57.72 53.66 1mg3 n HIS 95 Cb 0.29 -0.49 0.71 0.00 1.12 0.00 0.00 29.99 31.62 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 3.90 0.00 0.00 -0.41 0.11 -1.58 0.50 132.00 134.52 1mg3 h PRO 96 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1mg3 h PRO 96 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1mg3 h PRO 96 CO 0.73 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 1mg3 h PHE 97 N 0.00 0.00 -3.50 0.65 -0.00 -1.92 -3.41 116.94 108.77 1mg3 h PHE 97 Ca 0.03 0.00 -0.62 0.00 -0.00 0.00 0.00 57.97 57.38 1mg3 h PHE 97 Cb 0.90 0.00 -0.12 0.00 -0.00 0.00 0.00 35.95 36.73 1mg3 h PHE 97 CO 0.00 0.00 0.46 -1.64 -0.00 0.00 0.00 178.31 177.13 1mg3 s MET 98 N -3.26 3.40 0.17 6.09 -1.94 0.17 -5.02 119.30 118.91 1mg3 s MET 98 Ca 0.07 -0.12 0.08 0.00 -1.71 0.00 0.00 55.69 54.01 1mg3 s MET 98 Cb 0.10 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.92 1mg3 s MET 98 CO 0.52 -1.26 -0.17 1.03 -0.01 0.00 0.00 175.02 175.13 1mg3 s ARG 99 N 3.57 1.24 0.23 2.03 0.52 -1.26 -2.19 118.95 123.09 1mg3 s ARG 99 Ca 0.31 -1.41 -0.22 0.00 -0.52 0.00 0.00 55.73 53.88 1mg3 s ARG 99 Cb -0.12 -1.21 0.04 0.00 0.52 0.00 0.00 34.95 34.18 1mg3 s ARG 99 CO 0.22 0.23 0.83 0.20 0.02 0.00 0.00 175.30 176.81 1mg3 s GLY 100 N -2.76 -0.12 0.07 -3.53 0.00 -0.73 -4.70 107.32 95.55 1mg3 s GLY 100 Ca 0.16 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.57 1mg3 s GLY 100 CO 0.06 0.01 0.34 -1.59 0.00 0.00 0.00 173.10 171.92 1mg3 s LYS 101 N -3.53 0.92 -0.15 2.90 -2.85 -0.32 -0.81 119.74 115.91 1mg3 s LYS 101 Ca 0.12 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1mg3 s LYS 101 Cb -0.04 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1mg3 s LYS 101 CO 0.05 -0.32 -0.15 0.08 0.10 0.00 0.00 175.35 175.11 1mg3 s VAL 102 N -3.10 1.61 -0.34 1.79 1.01 0.11 -2.23 120.40 119.25 1mg3 s VAL 102 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1mg3 s VAL 102 Cb 0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1mg3 s VAL 102 CO -0.07 0.47 0.30 -0.69 0.00 0.00 0.00 175.10 175.11 1mg3 s VAL 103 N 1.43 5.23 -0.28 2.92 1.01 0.89 -1.68 120.40 129.92 1mg3 s VAL 103 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1mg3 s VAL 103 Cb -0.13 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1mg3 s VAL 103 CO -0.10 -0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.35 1mg3 s VAL 104 N 1.86 4.35 0.00 2.92 1.01 -0.18 0.09 120.40 130.44 1mg3 s VAL 104 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1mg3 s VAL 104 Cb -0.17 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1mg3 s VAL 104 CO 0.11 0.19 0.40 -0.62 0.00 0.00 0.00 175.10 175.18