#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 2.53 -3.56 -0.67 5.02 -0.26 -4.79 118.16 116.42 1mg2 n LYS 2 Ca 0.00 -2.11 -0.07 0.00 -2.02 0.00 0.00 58.31 54.11 1mg2 n LYS 2 Cb 0.00 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.05 -1.95 0.09 7.82 0.00 -1.26 -1.88 121.76 123.52 1mg2 s ALA 3 Ca 0.30 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.76 1mg2 s ALA 3 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1mg2 s ALA 3 CO 0.21 -0.52 -0.23 0.95 0.00 0.00 0.00 175.76 176.17 1mg2 s THR 4 N -2.19 1.87 -0.51 0.00 -4.23 0.06 -4.92 115.64 105.72 1mg2 s THR 4 Ca 0.05 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 1mg2 s THR 4 Cb -0.01 -1.66 0.11 0.00 1.34 0.00 0.00 72.50 72.28 1mg2 s THR 4 CO -0.05 0.09 0.44 -0.63 -0.54 0.00 0.00 174.62 173.94 1mg2 s ILE 5 N -1.00 5.04 0.26 2.99 1.09 -1.26 -0.96 121.20 127.36 1mg2 s ILE 5 Ca 0.09 -1.42 -0.02 0.00 -1.10 0.00 0.00 60.65 58.20 1mg2 s ILE 5 Cb -0.10 -4.18 0.24 0.00 -1.06 0.00 0.00 42.46 37.36 1mg2 s ILE 5 CO 0.04 -0.76 1.81 -0.65 -0.10 0.00 0.00 174.94 175.28 1mg2 h PRO 6 N 8.78 0.82 -3.96 2.79 0.11 -1.97 -3.39 132.00 135.18 1mg2 h PRO 6 Ca -0.28 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.30 1mg2 h PRO 6 Cb 1.10 -0.18 -0.37 0.00 0.11 0.00 0.00 31.00 31.65 1mg2 h PRO 6 CO 0.96 0.54 -0.78 0.45 -0.21 0.00 0.00 178.00 178.96 1mg2 s SER 7 N -5.62 1.81 0.12 -2.05 0.15 -1.26 -5.04 113.70 101.82 1mg2 s SER 7 Ca -0.12 -0.18 -0.25 0.00 0.70 0.00 0.00 55.95 56.10 1mg2 s SER 7 Cb 0.20 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1mg2 s SER 7 CO 0.79 -0.15 1.65 -0.08 1.20 0.00 0.00 173.24 176.65 1mg2 h GLU 8 N 8.18 -0.33 -6.59 5.44 4.81 -1.97 -3.43 114.58 120.69 1mg2 h GLU 8 Ca -0.25 0.02 -0.45 0.00 -0.13 0.00 0.00 59.36 58.56 1mg2 h GLU 8 Cb 1.13 0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.61 1mg2 h GLU 8 CO 0.34 -0.22 -0.17 -1.12 -0.73 0.00 0.00 179.01 177.11 1mg2 s SER 9 N -4.93 5.77 0.58 1.04 0.01 -1.26 -4.72 113.70 110.19 1mg2 s SER 9 Ca -0.15 0.05 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 1mg2 s SER 9 Cb 0.09 -1.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 1mg2 s SER 9 CO 0.66 -0.70 1.02 -2.16 0.41 0.00 0.00 173.24 172.47 1mg2 s PRO 10 N -4.46 3.59 0.30 12.44 0.04 -1.26 -4.92 135.00 140.71 1mg2 s PRO 10 Ca 0.49 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.52 1mg2 s PRO 10 Cb -0.10 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1mg2 s PRO 10 CO 0.36 -0.58 0.05 -0.59 0.04 0.00 0.00 177.00 176.28 1mg2 s PHE 11 N -2.79 1.83 0.42 0.56 -0.71 -0.73 -4.88 117.98 111.69 1mg2 s PHE 11 Ca 0.59 -0.97 -0.26 0.00 -1.04 0.00 0.00 56.93 55.25 1mg2 s PHE 11 Cb -0.12 -1.15 -0.09 0.00 -1.21 0.00 0.00 43.02 40.45 1mg2 s PHE 11 CO 0.41 -0.04 1.44 0.00 -1.34 0.00 0.00 175.22 175.70 1mg2 n ALA 12 N -0.60 2.11 0.23 1.99 0.00 -1.26 0.46 120.51 123.44 1mg2 n ALA 12 Ca -0.03 0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1mg2 n ALA 12 Cb 0.66 -2.39 0.55 0.00 0.00 0.00 0.00 19.45 18.26 1mg2 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg2 h ALA 13 N 2.52 1.56 0.00 0.00 0.00 -1.53 -2.18 119.26 119.63 1mg2 h ALA 13 Ca -0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1mg2 h ALA 13 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mg2 h ALA 13 CO 0.62 0.23 -0.00 0.00 0.00 0.00 0.00 179.25 180.10 1mg2 h ALA 14 N 1.81 1.52 -0.00 0.00 0.00 -1.90 0.46 119.26 121.15 1mg2 h ALA 14 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mg2 h ALA 14 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1mg2 h ALA 14 CO 0.02 0.00 -0.05 0.39 0.00 0.00 0.00 179.25 179.61 1mg2 n GLU 15 N -3.85 0.40 -2.12 0.00 1.02 -0.82 -4.82 120.64 110.46 1mg2 n GLU 15 Ca -0.03 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1mg2 n GLU 15 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.64 3.61 0.20 2.62 1.01 0.15 -4.93 120.40 120.41 1mg2 s VAL 16 Ca 0.25 0.90 -0.33 0.00 0.00 0.00 0.00 61.98 62.81 1mg2 s VAL 16 Cb 0.20 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1mg2 s VAL 16 CO 0.49 -0.04 1.66 0.00 0.00 0.00 0.00 175.10 177.21 1mg2 n ALA 17 N 6.16 2.24 -1.84 5.51 0.00 -1.26 -4.92 120.51 126.40 1mg2 n ALA 17 Ca 0.15 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.60 1mg2 n ALA 17 Cb 0.43 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1mg2 n ALA 17 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1mg2 s ASP 18 N 1.02 6.65 0.00 0.00 1.47 -1.26 -1.99 116.67 122.56 1mg2 s ASP 18 Ca 0.76 2.71 0.00 0.00 1.18 0.00 0.00 52.55 57.20 1mg2 s ASP 18 Cb -0.57 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.37 1mg2 s ASP 18 CO 0.36 -0.68 0.00 0.61 0.68 0.00 0.00 175.17 176.14 1mg2 n GLY 19 N 1.67 1.03 3.80 2.12 0.00 -1.26 -5.05 105.19 107.51 1mg2 n GLY 19 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 2.76 -0.11 4.61 0.00 -0.84 -4.97 121.76 120.49 1mg2 s ALA 20 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1mg2 s ALA 20 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1mg2 s ALA 20 CO 0.00 -0.73 1.53 0.42 0.00 0.00 0.00 175.76 176.98 1mg2 s ILE 21 N -2.36 3.81 -0.04 0.00 1.01 -1.26 -4.99 121.20 117.37 1mg2 s ILE 21 Ca 0.64 0.97 0.02 0.00 0.00 0.00 0.00 60.65 62.29 1mg2 s ILE 21 Cb -0.16 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1mg2 s ILE 21 CO 0.34 -0.12 -0.09 -0.69 0.00 0.00 0.00 174.94 174.38 1mg2 s VAL 22 N 4.03 0.81 -0.30 2.92 1.01 -1.26 -1.50 120.40 126.11 1mg2 s VAL 22 Ca 0.67 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1mg2 s VAL 22 Cb -0.29 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1mg2 s VAL 22 CO 0.25 0.26 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 1mg2 s VAL 23 N 0.43 3.44 0.30 2.92 1.01 -0.31 -4.97 120.40 123.22 1mg2 s VAL 23 Ca -0.07 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1mg2 s VAL 23 Cb -0.11 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 1mg2 s VAL 23 CO 0.01 0.00 0.82 -1.81 0.00 0.00 0.00 175.10 174.13 1mg2 s ASP 24 N 1.38 7.07 -0.18 3.32 1.01 -1.26 -1.81 116.67 126.19 1mg2 s ASP 24 Ca -0.01 1.55 -0.00 0.00 0.71 0.00 0.00 52.55 54.80 1mg2 s ASP 24 Cb -0.18 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.29 1mg2 s ASP 24 CO 0.00 -0.10 -0.16 -0.63 0.21 0.00 0.00 175.17 174.49 1mg2 s ILE 25 N -1.73 2.41 0.09 0.77 1.01 -0.19 -1.09 121.20 122.47 1mg2 s ILE 25 Ca 0.50 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 1mg2 s ILE 25 Cb -0.15 -2.03 0.08 0.00 0.01 0.00 0.00 42.46 40.37 1mg2 s ILE 25 CO 0.20 0.51 0.69 0.00 0.00 0.00 0.00 174.94 176.34 1mg2 s ALA 26 N 1.26 -1.68 -1.44 9.38 0.00 -0.69 -0.58 121.76 128.01 1mg2 s ALA 26 Ca 0.03 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 1mg2 s ALA 26 Cb -0.14 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1mg2 s ALA 26 CO -0.09 -0.71 0.50 1.63 0.00 0.00 0.00 175.76 177.09 1mg2 n LYS 27 N -0.22 -3.45 -2.58 0.00 4.76 -1.26 -1.53 118.16 113.88 1mg2 n LYS 27 Ca -0.15 0.42 -0.21 0.00 -2.87 0.00 0.00 58.31 55.50 1mg2 n LYS 27 Cb 0.63 -4.67 0.00 0.00 -1.84 0.00 0.00 35.03 29.16 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 -4.41 -2.61 -3.48 1.97 2.81 -1.26 -4.97 117.12 105.17 1mg2 n MET 28 Ca -0.25 0.97 -0.12 0.00 -1.81 0.00 0.00 57.70 56.49 1mg2 n MET 28 Cb 0.66 -5.70 -0.03 0.00 -0.71 0.00 0.00 33.22 27.44 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 -5.24 1.01 -0.61 0.03 -2.85 -0.58 -4.75 119.74 106.75 1mg2 s LYS 29 Ca 0.09 -0.21 -0.26 0.00 -1.00 0.00 0.00 55.97 54.59 1mg2 s LYS 29 Cb -0.04 0.47 0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1mg2 s LYS 29 CO 0.11 -0.41 1.11 0.71 0.10 0.00 0.00 175.35 176.97 1mg2 s TYR 30 N -2.76 2.61 0.63 1.78 2.02 -1.26 -1.70 117.35 118.68 1mg2 s TYR 30 Ca -0.00 0.10 0.28 0.00 -0.37 0.00 0.00 57.07 57.08 1mg2 s TYR 30 Cb -0.01 -4.37 1.45 0.00 -0.40 0.00 0.00 41.96 38.63 1mg2 s TYR 30 CO -0.06 -1.61 1.84 0.93 -1.57 0.00 0.00 175.55 175.09 1mg2 h GLU 31 N 9.56 0.00 -3.14 -0.62 4.39 -1.41 -3.06 114.58 120.31 1mg2 h GLU 31 Ca -0.26 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.81 1mg2 h GLU 31 Cb 1.06 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.30 1mg2 h GLU 31 CO 1.17 0.00 -0.67 0.99 -1.16 0.00 0.00 179.01 179.34 1mg2 s THR 32 N -4.36 2.18 0.42 1.13 2.01 -1.26 -4.98 115.64 110.78 1mg2 s THR 32 Ca -0.04 -3.29 0.16 0.00 0.31 0.00 0.00 61.69 58.84 1mg2 s THR 32 Cb 0.12 -2.50 0.18 0.00 0.01 0.00 0.00 72.50 70.31 1mg2 s THR 32 CO 0.40 -0.90 1.96 1.55 -0.69 0.00 0.00 174.62 176.94 1mg2 h PRO 33 N 6.25 0.00 -2.49 4.92 0.13 -1.87 -3.36 132.00 135.58 1mg2 h PRO 33 Ca 0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 1mg2 h PRO 33 Cb 0.87 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.59 1mg2 h PRO 33 CO 0.62 0.22 -0.75 -1.91 -0.23 0.00 0.00 178.00 175.95 1mg2 n GLU 34 N -4.16 1.54 -2.52 0.86 2.13 -1.26 -1.25 120.64 115.99 1mg2 n GLU 34 Ca -0.02 -4.08 -0.42 0.00 0.66 0.00 0.00 57.16 53.31 1mg2 n GLU 34 Cb 0.29 -1.97 -0.03 0.00 0.27 0.00 0.00 31.44 29.99 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 -1.44 4.43 -0.20 4.31 0.20 -0.92 -4.89 118.68 120.17 1mg2 s LEU 35 Ca 0.33 1.99 -0.03 0.00 0.69 0.00 0.00 54.13 57.11 1mg2 s LEU 35 Cb 0.07 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.24 1mg2 s LEU 35 CO -0.12 -0.31 -0.08 -1.00 -0.29 0.00 0.00 176.35 174.55 1mg2 s HIS 36 N 0.43 2.91 0.29 5.38 3.76 -1.26 -0.02 115.29 126.77 1mg2 s HIS 36 Ca 0.53 -1.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1mg2 s HIS 36 Cb -0.28 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 1mg2 s HIS 36 CO 0.32 -0.56 0.12 0.14 -0.85 0.00 0.00 174.74 173.91 1mg2 s VAL 37 N 1.32 0.50 0.20 -0.90 -7.23 -0.04 -4.99 120.40 109.25 1mg2 s VAL 37 Ca 0.04 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 1mg2 s VAL 37 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1mg2 s VAL 37 CO -0.04 0.00 0.06 -1.59 -0.31 0.00 0.00 175.10 173.22 1mg2 s LYS 38 N -3.93 2.57 -0.02 4.82 -2.85 -1.26 0.30 119.74 119.36 1mg2 s LYS 38 Ca 0.36 -1.10 -0.38 0.00 -1.00 0.00 0.00 55.97 53.85 1mg2 s LYS 38 Cb 0.07 -2.42 -0.17 0.00 -2.06 0.00 0.00 37.83 33.25 1mg2 s LYS 38 CO 0.15 0.44 1.44 0.28 0.10 0.00 0.00 175.35 177.76 1mg2 n VAL 39 N -0.46 0.08 0.00 1.79 0.31 -1.26 -1.17 118.33 117.63 1mg2 n VAL 39 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1mg2 n VAL 39 Cb 0.56 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 2.95 2.42 3.76 2.92 0.00 0.01 -5.04 105.19 112.22 1mg2 n GLY 40 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.38 5.85 -0.28 1.61 1.01 -0.32 -4.72 116.67 118.44 1mg2 s ASP 41 Ca 0.00 2.40 -0.06 0.00 0.71 0.00 0.00 52.55 55.61 1mg2 s ASP 41 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 1mg2 s ASP 41 CO 0.00 -1.14 0.05 -0.89 0.21 0.00 0.00 175.17 173.39 1mg2 s THR 42 N -1.52 3.72 0.04 -1.27 2.01 -1.26 -1.98 115.64 115.38 1mg2 s THR 42 Ca 0.67 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1mg2 s THR 42 Cb -0.31 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1mg2 s THR 42 CO 0.37 0.12 0.35 -0.69 -0.69 0.00 0.00 174.62 174.08 1mg2 s VAL 43 N 1.46 5.16 -0.08 3.82 1.01 -0.68 -4.27 120.40 126.82 1mg2 s VAL 43 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1mg2 s VAL 43 Cb -0.17 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1mg2 s VAL 43 CO 0.01 0.36 -0.06 -0.89 0.00 0.00 0.00 175.10 174.51 1mg2 s THR 44 N -1.31 0.84 -0.02 3.92 2.01 -0.56 -1.41 115.64 119.10 1mg2 s THR 44 Ca 0.29 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 1mg2 s THR 44 Cb -0.14 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1mg2 s THR 44 CO 0.16 0.32 0.45 0.26 -0.69 0.00 0.00 174.62 175.12 1mg2 s TRP 45 N 1.42 3.68 -0.11 4.92 0.51 -0.30 -1.16 118.94 127.90 1mg2 s TRP 45 Ca -0.02 1.00 -0.01 0.00 -2.12 0.00 0.00 56.10 54.95 1mg2 s TRP 45 Cb -0.13 -2.39 0.03 0.00 -0.81 0.00 0.00 33.47 30.16 1mg2 s TRP 45 CO -0.04 0.50 -0.06 0.42 -0.51 0.00 0.00 176.95 177.27 1mg2 s ILE 46 N -0.60 0.87 -0.04 2.03 1.01 -0.75 -1.57 121.20 122.15 1mg2 s ILE 46 Ca 0.25 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1mg2 s ILE 46 Cb -0.17 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1mg2 s ILE 46 CO 0.13 0.33 0.98 0.21 0.00 0.00 0.00 174.94 176.60 1mg2 s ASN 47 N 1.77 7.32 0.00 3.58 2.47 -0.68 -1.02 114.94 128.38 1mg2 s ASN 47 Ca 0.05 1.61 0.14 0.00 0.42 0.00 0.00 52.86 55.08 1mg2 s ASN 47 Cb -0.13 -2.56 0.19 0.00 -1.45 0.00 0.00 41.25 37.31 1mg2 s ASN 47 CO -0.07 -0.32 1.06 0.54 -3.72 0.00 0.00 177.10 174.59 1mg2 n ARG 48 N 4.28 1.52 -4.51 0.43 5.12 0.25 0.35 116.66 124.11 1mg2 n ARG 48 Ca 0.07 -1.60 -0.24 0.00 -1.93 0.00 0.00 57.85 54.15 1mg2 n ARG 48 Cb 0.50 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.15 1.78 0.23 5.56 -1.05 -1.25 -4.78 118.70 118.04 1mg2 s GLU 49 Ca 0.21 -2.02 -0.04 0.00 -0.15 0.00 0.00 54.97 52.97 1mg2 s GLU 49 Cb 0.13 -0.97 0.24 0.00 -0.44 0.00 0.00 34.13 33.09 1mg2 s GLU 49 CO 0.19 -0.23 1.71 0.00 0.95 0.00 0.00 175.26 177.87 1mg2 h ALA 50 N 1.96 1.00 -2.35 -0.84 0.00 -1.96 -3.19 119.26 113.88 1mg2 h ALA 50 Ca -0.40 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 1mg2 h ALA 50 Cb 1.25 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1mg2 h ALA 50 CO 0.69 0.61 1.24 -0.12 0.00 0.00 0.00 179.25 181.67 1mg2 n MET 51 N -4.18 2.86 -2.15 0.00 0.00 -1.26 -4.55 117.12 107.84 1mg2 n MET 51 Ca 0.02 1.05 -0.37 0.00 0.00 0.00 0.00 57.70 58.40 1mg2 n MET 51 Cb 0.34 -3.01 0.01 0.00 0.00 0.00 0.00 33.22 30.55 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 4.49 3.52 0.17 2.12 0.02 -1.26 -4.84 135.00 139.22 1mg2 s PRO 52 Ca 0.89 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 63.67 1mg2 s PRO 52 Cb -0.44 -2.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.79 1mg2 s PRO 52 CO 0.42 -0.77 0.29 -1.01 -0.33 0.00 0.00 177.00 175.60 1mg2 s HIS 53 N -1.53 0.39 0.10 6.54 3.76 -1.03 -4.91 115.29 118.60 1mg2 s HIS 53 Ca 0.67 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1mg2 s HIS 53 Cb -0.30 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.34 1mg2 s HIS 53 CO 0.36 -0.73 0.15 0.27 -0.85 0.00 0.00 174.74 173.95 1mg2 n ASN 54 N -0.22 -0.43 -4.18 1.40 6.94 -1.26 0.17 115.26 117.67 1mg2 n ASN 54 Ca -0.07 -1.48 -0.28 0.00 -0.02 0.00 0.00 54.58 52.73 1mg2 n ASN 54 Cb 0.63 0.77 -0.16 0.00 -2.36 0.00 0.00 39.78 38.66 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 -2.60 1.64 -0.14 3.53 -7.23 -1.26 -4.36 120.40 109.98 1mg2 s VAL 55 Ca 0.07 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1mg2 s VAL 55 Cb -0.01 -1.40 0.05 0.00 0.56 0.00 0.00 36.38 35.58 1mg2 s VAL 55 CO 0.05 0.47 0.03 -2.28 -0.31 0.00 0.00 175.10 173.05 1mg2 s HIS 56 N -0.04 0.78 -0.25 2.82 5.04 0.16 -1.17 115.29 122.63 1mg2 s HIS 56 Ca -0.03 -0.50 -0.07 0.00 -1.54 0.00 0.00 55.06 52.91 1mg2 s HIS 56 Cb -0.12 -0.89 -0.03 0.00 0.04 0.00 0.00 32.58 31.58 1mg2 s HIS 56 CO 0.03 -0.48 0.07 -0.06 -2.34 0.00 0.00 174.74 171.95 1mg2 s PHE 57 N 1.94 3.08 0.73 3.88 0.40 -0.65 -1.16 117.98 126.20 1mg2 s PHE 57 Ca 0.02 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 55.76 1mg2 s PHE 57 Cb -0.15 -2.23 0.04 0.00 0.51 0.00 0.00 43.02 41.19 1mg2 s PHE 57 CO -0.07 -0.37 1.18 0.14 0.70 0.00 0.00 175.22 176.80 1mg2 s VAL 58 N 1.61 2.53 0.18 -0.44 -7.23 -1.26 -0.21 120.40 115.58 1mg2 s VAL 58 Ca 0.06 0.25 -0.32 0.00 -1.81 0.00 0.00 61.98 60.16 1mg2 s VAL 58 Cb -0.15 -2.76 -0.16 0.00 0.56 0.00 0.00 36.38 33.87 1mg2 s VAL 58 CO 0.03 -0.15 1.02 0.00 -0.31 0.00 0.00 175.10 175.69 1mg2 n ALA 59 N -2.78 -1.28 0.00 1.32 0.00 -1.26 -2.49 120.51 114.02 1mg2 n ALA 59 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1mg2 n ALA 59 Cb 0.51 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.81 0.72 0.03 0.00 0.00 0.67 -4.84 105.19 103.59 1mg2 n GLY 60 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.14 1.61 2.07 -1.79 -3.39 116.25 114.61 1mg2 h VAL 61 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 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 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1mg2 n LEU 62 N -3.27 1.90 0.00 2.57 4.77 -1.26 -4.87 117.00 116.84 1mg2 n LEU 62 Ca -0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1mg2 n LEU 62 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1mg2 n LEU 62 CO 0.03 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1mg2 n GLY 63 N 1.20 -1.75 0.40 -0.72 0.00 -1.26 -1.10 105.19 101.95 1mg2 n GLY 63 Ca 0.17 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1mg2 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mg2 h GLU 64 N 0.33 -0.48 -6.59 1.61 3.07 -1.94 0.19 114.58 110.77 1mg2 h GLU 64 Ca 0.00 0.03 -0.49 0.00 -0.50 0.00 0.00 59.36 58.40 1mg2 h GLU 64 Cb 0.00 0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1mg2 h GLU 64 CO 0.00 -0.32 -0.12 0.00 -1.40 0.00 0.00 179.01 177.18 1mg2 s ALA 65 N -5.89 3.62 0.71 3.43 0.00 -1.26 -2.87 121.76 119.49 1mg2 s ALA 65 Ca -0.15 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 1mg2 s ALA 65 Cb 0.09 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1mg2 s ALA 65 CO 0.64 -0.01 1.06 0.00 0.00 0.00 0.00 175.76 177.46 1mg2 s ALA 66 N -2.33 2.62 -0.37 0.00 0.00 -1.26 -4.24 121.76 116.17 1mg2 s ALA 66 Ca 0.43 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1mg2 s ALA 66 Cb -0.10 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.93 1mg2 s ALA 66 CO 0.36 -1.30 0.11 -1.17 0.00 0.00 0.00 175.76 173.76 1mg2 s LEU 67 N -5.60 4.90 -0.87 0.00 0.20 0.71 -4.84 118.68 113.18 1mg2 s LEU 67 Ca 0.59 -2.02 -0.16 0.00 0.69 0.00 0.00 54.13 53.23 1mg2 s LEU 67 Cb -0.15 -1.73 0.18 0.00 -0.43 0.00 0.00 46.19 44.07 1mg2 s LEU 67 CO 0.55 -0.44 0.92 -0.54 -0.29 0.00 0.00 176.35 176.55 1mg2 s LYS 68 N 1.04 3.61 0.91 1.98 1.02 -1.26 -1.64 119.74 125.40 1mg2 s LYS 68 Ca 0.08 -2.19 -0.10 0.00 0.02 0.00 0.00 55.97 53.77 1mg2 s LYS 68 Cb -0.21 -4.63 0.14 0.00 -0.52 0.00 0.00 37.83 32.61 1mg2 s LYS 68 CO -0.06 -1.49 1.16 0.20 -0.92 0.00 0.00 175.35 174.25 1mg2 s GLY 69 N 2.74 1.75 0.63 -3.33 0.00 -0.31 -4.98 107.32 103.81 1mg2 s GLY 69 Ca 0.24 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.46 1mg2 s GLY 69 CO -0.09 1.06 1.06 2.56 0.00 0.00 0.00 173.10 177.69 1mg2 s PRO 70 N -4.58 3.15 0.29 2.90 0.04 -1.26 -4.56 135.00 130.98 1mg2 s PRO 70 Ca 0.68 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1mg2 s PRO 70 Cb -0.24 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1mg2 s PRO 70 CO 0.57 -0.95 1.22 -1.64 0.04 0.00 0.00 177.00 176.24 1mg2 s MET 71 N -4.31 4.48 -0.20 4.56 -1.94 -1.26 -4.53 119.30 116.10 1mg2 s MET 71 Ca 0.63 2.02 -0.06 0.00 -1.71 0.00 0.00 55.69 56.57 1mg2 s MET 71 Cb -0.16 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 1mg2 s MET 71 CO 0.42 -0.03 0.02 -1.64 -0.01 0.00 0.00 175.02 173.79 1mg2 s MET 72 N -1.44 3.73 0.85 2.03 -1.94 0.44 -4.85 119.30 118.13 1mg2 s MET 72 Ca 0.48 -0.47 -0.08 0.00 -1.71 0.00 0.00 55.69 53.91 1mg2 s MET 72 Cb -0.36 -3.13 0.17 0.00 2.01 0.00 0.00 34.83 33.52 1mg2 s MET 72 CO 0.46 0.08 1.17 0.15 -0.01 0.00 0.00 175.02 176.88 1mg2 s LYS 73 N 0.84 1.07 0.26 2.03 1.02 -1.26 -2.46 119.74 121.23 1mg2 s LYS 73 Ca 0.02 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 1mg2 s LYS 73 Cb -0.14 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 34.96 1mg2 s LYS 73 CO 0.02 -1.99 1.38 1.17 -0.92 0.00 0.00 175.35 175.01 1mg2 n LYS 74 N -3.33 2.03 -2.87 1.68 4.81 -1.21 -2.14 118.16 117.13 1mg2 n LYS 74 Ca 0.16 0.72 -0.21 0.00 -0.87 0.00 0.00 58.31 58.11 1mg2 n LYS 74 Cb 0.60 -2.36 0.03 0.00 0.02 0.00 0.00 35.03 33.32 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 1.76 -4.14 -4.43 1.64 -0.58 0.16 -4.99 120.64 110.05 1mg2 n GLU 75 Ca 0.10 0.90 -0.29 0.00 -0.42 0.00 0.00 57.16 57.45 1mg2 n GLU 75 Cb 0.32 -5.65 -0.13 0.00 -0.57 0.00 0.00 31.44 25.41 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 -5.53 1.53 0.41 3.49 -0.21 -0.91 -1.36 119.66 117.09 1mg2 s GLN 76 Ca 0.24 -1.28 0.04 0.00 0.02 0.00 0.00 55.36 54.38 1mg2 s GLN 76 Cb -0.10 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1mg2 s GLN 76 CO 0.29 0.46 0.04 0.00 -2.12 0.00 0.00 175.29 173.96 1mg2 s ALA 77 N -1.05 3.16 -0.28 6.09 0.00 0.17 -1.68 121.76 128.18 1mg2 s ALA 77 Ca 0.15 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1mg2 s ALA 77 Cb -0.10 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.45 1mg2 s ALA 77 CO 0.06 -0.17 0.74 -0.47 0.00 0.00 0.00 175.76 175.92 1mg2 s TYR 78 N -2.97 -0.98 0.29 0.00 5.04 -0.61 -1.77 117.35 116.36 1mg2 s TYR 78 Ca 0.27 1.97 0.11 0.00 -2.44 0.00 0.00 57.07 56.97 1mg2 s TYR 78 Cb 0.07 0.58 -0.05 0.00 0.35 0.00 0.00 41.96 42.90 1mg2 s TYR 78 CO 0.13 -0.48 -0.13 -1.12 -1.34 0.00 0.00 175.55 172.61 1mg2 s SER 79 N 1.53 3.85 -0.12 4.32 0.01 -1.26 -1.15 113.70 120.89 1mg2 s SER 79 Ca -0.09 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.14 1mg2 s SER 79 Cb -0.05 -0.44 0.05 0.00 0.21 0.00 0.00 66.02 65.80 1mg2 s SER 79 CO -0.18 -0.02 0.27 -0.76 0.41 0.00 0.00 173.24 172.96 1mg2 s LEU 80 N -3.57 0.13 -0.35 2.44 1.43 -0.50 -4.19 118.68 114.07 1mg2 s LEU 80 Ca 0.31 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.86 1mg2 s LEU 80 Cb -0.04 0.81 -0.01 0.00 0.03 0.00 0.00 46.19 46.99 1mg2 s LEU 80 CO 0.17 -0.19 0.36 -0.89 0.23 0.00 0.00 176.35 176.02 1mg2 s THR 81 N 1.62 5.17 -0.22 5.49 2.01 -0.13 -1.69 115.64 127.90 1mg2 s THR 81 Ca -0.06 -0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 1mg2 s THR 81 Cb -0.11 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1mg2 s THR 81 CO -0.09 -0.13 0.85 -0.36 -0.69 0.00 0.00 174.62 174.20 1mg2 s PHE 82 N 1.99 3.34 -0.15 4.92 0.40 -0.84 -0.76 117.98 126.88 1mg2 s PHE 82 Ca 0.11 1.19 0.05 0.00 -0.60 0.00 0.00 56.93 57.68 1mg2 s PHE 82 Cb -0.17 -3.06 -0.23 0.00 0.51 0.00 0.00 43.02 40.07 1mg2 s PHE 82 CO 0.12 -0.37 0.24 2.41 0.70 0.00 0.00 175.22 178.32 1mg2 n THR 83 N 5.14 1.59 -3.99 0.64 -1.04 -0.79 -0.81 114.28 115.03 1mg2 n THR 83 Ca 0.06 -0.72 -0.21 0.00 -2.04 0.00 0.00 64.05 61.14 1mg2 n THR 83 Cb 0.48 -1.21 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 1mg2 n THR 83 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1mg2 s GLU 84 N -2.55 3.19 0.00 -2.82 8.01 -1.24 -4.59 118.70 118.71 1mg2 s GLU 84 Ca -0.18 -0.91 -0.17 0.00 0.01 0.00 0.00 54.97 53.71 1mg2 s GLU 84 Cb 0.07 -2.74 -0.06 0.00 -4.31 0.00 0.00 34.13 27.10 1mg2 s GLU 84 CO 0.76 0.38 0.49 0.00 0.01 0.00 0.00 175.26 176.90 1mg2 s ALA 85 N -2.07 3.60 0.00 5.21 0.00 -1.26 -4.88 121.76 122.36 1mg2 s ALA 85 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1mg2 s ALA 85 Cb -0.08 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1mg2 s ALA 85 CO 0.27 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1mg2 n GLY 86 N 2.08 -2.81 3.54 0.00 0.00 -0.52 -4.97 105.19 102.52 1mg2 n GLY 86 Ca -0.11 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.06 4.65 -0.27 2.61 2.01 -1.26 0.34 115.64 121.65 1mg2 s THR 87 Ca 0.00 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1mg2 s THR 87 Cb 0.00 -3.15 0.07 0.00 0.01 0.00 0.00 72.50 69.43 1mg2 s THR 87 CO 0.00 0.38 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.92 1mg2 s TYR 88 N 1.12 3.23 0.33 4.92 2.02 -0.27 -4.96 117.35 123.74 1mg2 s TYR 88 Ca 0.05 -2.36 -0.19 0.00 -0.37 0.00 0.00 57.07 54.20 1mg2 s TYR 88 Cb -0.14 -2.04 -0.09 0.00 -0.40 0.00 0.00 41.96 39.29 1mg2 s TYR 88 CO 0.04 -0.88 0.81 -0.51 -1.57 0.00 0.00 175.55 173.44 1mg2 s ASP 89 N 1.11 6.93 0.21 2.29 1.11 -1.26 -1.37 116.67 125.69 1mg2 s ASP 89 Ca -0.05 1.47 -0.14 0.00 0.18 0.00 0.00 52.55 54.01 1mg2 s ASP 89 Cb -0.20 -2.45 0.01 0.00 1.07 0.00 0.00 42.92 41.35 1mg2 s ASP 89 CO -0.06 -0.18 0.44 -0.72 1.18 0.00 0.00 175.17 175.83 1mg2 s TYR 90 N -1.90 0.19 0.29 4.23 1.13 -0.19 -4.61 117.35 116.50 1mg2 s TYR 90 Ca 0.54 -0.55 -0.08 0.00 -1.41 0.00 0.00 57.07 55.57 1mg2 s TYR 90 Cb -0.12 0.20 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1mg2 s TYR 90 CO 0.18 -0.90 0.47 -3.38 -2.51 0.00 0.00 175.55 169.41 1mg2 s HIS 91 N -3.95 0.71 -0.25 -3.49 -3.43 -0.31 -0.23 115.29 104.34 1mg2 s HIS 91 Ca 0.16 -1.02 -0.16 0.00 -0.80 0.00 0.00 55.06 53.24 1mg2 s HIS 91 Cb 0.00 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1mg2 s HIS 91 CO 0.02 -1.07 0.41 0.00 -2.00 0.00 0.00 174.74 172.11 1mg2 h THR 93 N 5.27 0.00 0.00 0.00 2.02 -1.91 -0.27 112.91 118.02 1mg2 h THR 93 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 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 0.68 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.76 1mg2 n PRO 94 N -4.30 0.12 -3.50 6.66 -0.04 -1.26 -3.94 135.00 128.74 1mg2 n PRO 94 Ca 0.00 0.31 -0.27 0.00 -0.04 0.00 0.00 63.50 63.51 1mg2 n PRO 94 Cb 0.17 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.93 2.10 0.33 0.54 8.25 -0.13 -4.95 115.22 119.41 1mg2 n HIS 95 Ca 0.03 -3.96 0.16 0.00 -0.26 0.00 0.00 57.72 53.69 1mg2 n HIS 95 Cb 0.24 -0.42 0.85 0.00 1.12 0.00 0.00 29.99 31.78 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 4.68 0.00 0.00 -0.41 0.11 -1.62 -0.00 132.00 134.75 1mg2 h PRO 96 Ca 0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1mg2 h PRO 96 Cb 0.76 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1mg2 h PRO 96 CO 0.66 0.00 -0.22 0.27 -0.21 0.00 0.00 178.00 178.51 1mg2 h PHE 97 N 0.00 0.00 -2.91 0.65 -0.00 -1.92 -3.41 116.94 109.34 1mg2 h PHE 97 Ca 0.01 0.00 -0.55 0.00 -0.00 0.00 0.00 57.97 57.43 1mg2 h PHE 97 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.51 1mg2 h PHE 97 CO 0.00 0.22 1.07 -1.64 -0.00 0.00 0.00 178.31 177.96 1mg2 s MET 98 N -3.31 3.36 0.00 6.09 -1.94 -0.02 -4.99 119.30 118.50 1mg2 s MET 98 Ca 0.04 0.40 0.04 0.00 -1.71 0.00 0.00 55.69 54.46 1mg2 s MET 98 Cb 0.08 -4.10 -0.03 0.00 2.01 0.00 0.00 34.83 32.79 1mg2 s MET 98 CO 0.67 -1.87 -0.10 0.50 -0.01 0.00 0.00 175.02 174.21 1mg2 s ARG 99 N 5.37 2.45 0.12 2.03 6.06 -1.26 -2.39 118.95 131.33 1mg2 s ARG 99 Ca 0.50 -0.77 -0.01 0.00 -2.50 0.00 0.00 55.73 52.95 1mg2 s ARG 99 Cb -0.10 -2.43 -0.04 0.00 0.06 0.00 0.00 34.95 32.44 1mg2 s ARG 99 CO 0.25 0.59 0.05 0.20 -2.50 0.00 0.00 175.30 173.89 1mg2 s GLY 100 N -1.33 0.92 -0.12 8.12 0.00 0.68 -4.71 107.32 110.87 1mg2 s GLY 100 Ca 0.16 -1.44 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1mg2 s GLY 100 CO 0.06 -1.35 0.35 1.25 0.00 0.00 0.00 173.10 173.41 1mg2 s LYS 101 N -4.03 0.43 -0.23 2.90 2.20 -0.38 -1.02 119.74 119.60 1mg2 s LYS 101 Ca 0.22 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1mg2 s LYS 101 Cb 0.07 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1mg2 s LYS 101 CO 0.00 -0.06 -0.03 0.08 -0.36 0.00 0.00 175.35 174.99 1mg2 s VAL 102 N 0.08 1.34 -0.31 4.02 1.01 -0.47 -2.17 120.40 123.91 1mg2 s VAL 102 Ca -0.01 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1mg2 s VAL 102 Cb -0.03 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1mg2 s VAL 102 CO 0.01 -0.16 0.57 -0.69 0.00 0.00 0.00 175.10 174.83 1mg2 s VAL 103 N 1.48 4.99 -0.32 2.92 1.01 0.97 -1.11 120.40 130.32 1mg2 s VAL 103 Ca -0.04 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 1mg2 s VAL 103 Cb -0.18 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1mg2 s VAL 103 CO -0.07 -0.11 0.19 -0.69 0.00 0.00 0.00 175.10 174.42 1mg2 s VAL 104 N 2.49 4.93 0.00 2.92 1.01 0.15 -0.86 120.40 131.04 1mg2 s VAL 104 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1mg2 s VAL 104 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1mg2 s VAL 104 CO 0.12 0.04 0.19 -0.62 0.00 0.00 0.00 175.10 174.83