#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j56 n LYS 2 N 0.00 1.29 -3.70 -0.67 5.02 0.69 -4.84 118.16 115.96 2j56 n LYS 2 Ca 0.00 -1.08 -0.13 0.00 -2.02 0.00 0.00 58.31 55.07 2j56 n LYS 2 Cb 0.00 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 2j56 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j56 s ALA 3 N -1.33 -0.96 0.19 7.82 0.00 -1.26 -0.75 121.76 125.47 2j56 s ALA 3 Ca 0.14 0.39 0.09 0.00 0.00 0.00 0.00 51.96 52.58 2j56 s ALA 3 Cb 0.11 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2j56 s ALA 3 CO 0.23 -0.37 -0.09 0.95 0.00 0.00 0.00 175.76 176.48 2j56 s THR 4 N -1.91 3.17 -0.35 0.00 -4.23 0.42 -4.93 115.64 107.82 2j56 s THR 4 Ca -0.09 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 2j56 s THR 4 Cb -0.02 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 2j56 s THR 4 CO 0.01 -0.15 0.22 -0.63 -0.54 0.00 0.00 174.62 173.53 2j56 s ILE 5 N -1.81 5.00 0.19 2.99 1.01 -1.26 -0.74 121.20 126.58 2j56 s ILE 5 Ca 0.26 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 2j56 s ILE 5 Cb -0.08 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.86 2j56 s ILE 5 CO 0.16 -0.07 1.72 -0.65 0.00 0.00 0.00 174.94 176.10 2j56 h PRO 6 N 8.47 1.04 -3.57 2.79 0.11 -1.95 -3.44 132.00 135.45 2j56 h PRO 6 Ca -0.30 -0.22 -0.34 0.00 0.11 0.00 0.00 66.00 65.25 2j56 h PRO 6 Cb 1.14 -0.15 -0.35 0.00 0.11 0.00 0.00 31.00 31.75 2j56 h PRO 6 CO 0.65 0.90 -0.74 0.45 -0.21 0.00 0.00 178.00 179.05 2j56 s SER 7 N -6.30 0.53 0.22 -2.05 0.15 -1.26 -5.04 113.70 99.94 2j56 s SER 7 Ca -0.12 0.01 -0.09 0.00 0.70 0.00 0.00 55.95 56.45 2j56 s SER 7 Cb 0.14 -0.17 0.24 0.00 -1.71 0.00 0.00 66.02 64.52 2j56 s SER 7 CO 0.83 -0.15 1.83 -0.08 1.20 0.00 0.00 173.24 176.87 2j56 h GLU 8 N 7.58 0.77 -6.08 5.44 4.57 -1.97 -3.45 114.58 121.45 2j56 h GLU 8 Ca -0.36 -0.05 -0.56 0.00 -1.18 0.00 0.00 59.36 57.21 2j56 h GLU 8 Cb 1.13 -0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 29.45 2j56 h GLU 8 CO 0.40 0.51 -0.58 -1.54 -1.18 0.00 0.00 179.01 176.62 2j56 s SER 9 N -5.67 4.49 0.81 1.04 1.04 -1.26 -4.67 113.70 109.48 2j56 s SER 9 Ca -0.13 -0.84 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 2j56 s SER 9 Cb 0.16 -0.67 0.09 0.00 0.10 0.00 0.00 66.02 65.70 2j56 s SER 9 CO 0.77 -0.25 1.20 -2.84 0.98 0.00 0.00 173.24 173.10 2j56 s PRO 10 N -3.78 1.61 0.35 4.02 0.02 -1.26 -4.91 135.00 131.05 2j56 s PRO 10 Ca 0.36 1.74 0.05 0.00 0.02 0.00 0.00 61.00 63.17 2j56 s PRO 10 Cb -0.02 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 2j56 s PRO 10 CO 0.21 -2.23 0.21 -0.59 -0.33 0.00 0.00 177.00 174.27 2j56 s PHE 11 N -2.18 1.72 0.17 6.54 -0.71 -0.56 -4.90 117.98 118.05 2j56 s PHE 11 Ca 0.73 -1.49 -0.30 0.00 -1.04 0.00 0.00 56.93 54.83 2j56 s PHE 11 Cb -0.28 -0.87 -0.07 0.00 -1.21 0.00 0.00 43.02 40.58 2j56 s PHE 11 CO 0.51 -0.63 1.08 0.00 -1.34 0.00 0.00 175.22 174.85 2j56 s ALA 12 N -3.42 3.36 0.37 1.99 0.00 -1.26 -1.02 121.76 121.77 2j56 s ALA 12 Ca 0.34 0.79 0.16 0.00 0.00 0.00 0.00 51.96 53.25 2j56 s ALA 12 Cb 0.03 -3.34 1.06 0.00 0.00 0.00 0.00 23.12 20.87 2j56 s ALA 12 CO 0.21 -0.18 1.72 0.00 0.00 0.00 0.00 175.76 177.51 2j56 h ALA 13 N 5.15 2.09 0.00 0.00 0.00 -1.05 0.25 119.26 125.71 2j56 h ALA 13 Ca -0.44 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2j56 h ALA 13 Cb 1.21 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2j56 h ALA 13 CO 0.72 -0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 2j56 h ALA 14 N 1.70 1.23 0.00 0.00 0.00 -1.91 -1.49 119.26 118.79 2j56 h ALA 14 Ca 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2j56 h ALA 14 Cb 1.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2j56 h ALA 14 CO -0.42 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.28 2j56 n GLU 15 N -3.48 0.81 -2.63 0.00 4.71 0.87 -4.83 120.64 116.09 2j56 n GLU 15 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.71 2j56 n GLU 15 Cb 0.16 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.06 2j56 n GLU 15 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2j56 s VAL 16 N -2.19 4.51 0.38 2.62 1.01 -0.56 -5.01 120.40 121.15 2j56 s VAL 16 Ca 0.41 1.88 -0.27 0.00 0.00 0.00 0.00 61.98 64.00 2j56 s VAL 16 Cb 0.21 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 2j56 s VAL 16 CO 0.40 0.19 1.33 0.00 0.00 0.00 0.00 175.10 177.02 2j56 n ALA 17 N 3.54 1.55 -0.21 5.51 0.00 -1.26 -4.92 120.51 124.73 2j56 n ALA 17 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2j56 n ALA 17 Cb 0.49 -2.30 0.09 0.00 0.00 0.00 0.00 19.45 17.73 2j56 n ALA 17 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2j56 h ASP 18 N 2.49 -0.46 -3.13 0.00 3.58 -1.96 -2.57 116.42 114.37 2j56 h ASP 18 Ca -0.48 0.18 -0.74 0.00 0.42 0.00 0.00 57.03 56.41 2j56 h ASP 18 Cb 1.28 0.35 -0.22 0.00 1.72 0.00 0.00 39.33 42.45 2j56 h ASP 18 CO 0.62 -0.18 0.07 -0.83 -2.88 0.00 0.00 179.24 176.04 2j56 s GLY 19 N -3.48 2.09 0.09 -0.78 0.00 -1.26 -5.02 107.32 98.96 2j56 s GLY 19 Ca -0.14 -2.63 0.03 0.00 0.00 0.00 0.00 44.72 41.98 2j56 s GLY 19 CO 0.74 1.42 -0.08 0.00 0.00 0.00 0.00 173.10 175.18 2j56 s ALA 20 N 1.76 0.99 -0.46 3.20 0.00 -0.97 -5.13 121.76 121.15 2j56 s ALA 20 Ca 0.12 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 2j56 s ALA 20 Cb -0.21 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2j56 s ALA 20 CO 0.00 -0.12 1.04 0.42 0.00 0.00 0.00 175.76 177.10 2j56 s ILE 21 N -2.81 4.34 -0.06 0.00 1.01 -1.25 -5.01 121.20 117.41 2j56 s ILE 21 Ca 0.06 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.78 2j56 s ILE 21 Cb -0.00 -4.52 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 2j56 s ILE 21 CO -0.02 -0.91 -0.19 -0.69 0.00 0.00 0.00 174.94 173.13 2j56 s VAL 22 N 4.10 2.63 -0.31 2.92 1.01 -1.26 -0.38 120.40 129.11 2j56 s VAL 22 Ca 0.43 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2j56 s VAL 22 Cb -0.09 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.35 2j56 s VAL 22 CO 0.29 0.57 0.02 -0.69 0.00 0.00 0.00 175.10 175.28 2j56 s VAL 23 N -0.33 2.79 0.59 2.92 1.01 0.44 -4.95 120.40 122.87 2j56 s VAL 23 Ca 0.02 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 2j56 s VAL 23 Cb -0.13 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2j56 s VAL 23 CO 0.02 -0.25 1.10 -1.81 0.00 0.00 0.00 175.10 174.17 2j56 s ASP 24 N 1.27 5.54 -0.09 3.32 1.01 -1.26 -0.96 116.67 125.49 2j56 s ASP 24 Ca -0.02 2.04 0.01 0.00 0.71 0.00 0.00 52.55 55.29 2j56 s ASP 24 Cb -0.20 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.19 2j56 s ASP 24 CO -0.03 -1.34 -0.10 -0.63 0.21 0.00 0.00 175.17 173.27 2j56 s ILE 25 N -2.11 1.13 -0.12 0.77 1.01 0.41 -1.57 121.20 120.72 2j56 s ILE 25 Ca 0.69 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 2j56 s ILE 25 Cb -0.21 -1.08 0.10 0.00 0.01 0.00 0.00 42.46 41.29 2j56 s ILE 25 CO 0.33 0.37 0.88 0.00 0.00 0.00 0.00 174.94 176.52 2j56 s ALA 26 N 1.18 -1.87 -1.56 9.38 0.00 -0.67 -0.37 121.76 127.85 2j56 s ALA 26 Ca -0.05 1.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 2j56 s ALA 26 Cb -0.14 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.60 2j56 s ALA 26 CO -0.03 -0.33 0.82 1.63 0.00 0.00 0.00 175.76 177.85 2j56 n LYS 27 N 0.87 -4.38 -2.35 0.00 4.76 -1.26 -1.80 118.16 113.99 2j56 n LYS 27 Ca -0.14 0.50 -0.18 0.00 -2.87 0.00 0.00 58.31 55.63 2j56 n LYS 27 Cb 0.57 -5.20 -0.01 0.00 -1.84 0.00 0.00 35.03 28.55 2j56 n LYS 27 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2j56 n MET 28 N -4.51 -1.50 -3.84 1.97 2.81 -1.26 -4.98 117.12 105.81 2j56 n MET 28 Ca -0.02 0.85 -0.12 0.00 -1.81 0.00 0.00 57.70 56.59 2j56 n MET 28 Cb 0.55 -5.32 -0.11 0.00 -0.71 0.00 0.00 33.22 27.62 2j56 n MET 28 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2j56 s LYS 29 N -4.90 0.32 0.51 0.03 1.02 -0.75 -4.78 119.74 111.19 2j56 s LYS 29 Ca 0.01 -0.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.77 2j56 s LYS 29 Cb -0.00 0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 37.37 2j56 s LYS 29 CO 0.01 -0.06 1.03 0.71 -0.92 0.00 0.00 175.35 176.12 2j56 s TYR 30 N -0.53 3.04 0.18 3.18 2.02 -1.26 -1.68 117.35 122.30 2j56 s TYR 30 Ca -0.06 1.56 -0.10 0.00 -0.37 0.00 0.00 57.07 58.10 2j56 s TYR 30 Cb -0.04 -3.03 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 2j56 s TYR 30 CO 0.01 -0.82 1.68 1.49 -1.57 0.00 0.00 175.55 176.34 2j56 h GLU 31 N 1.32 1.03 -6.13 -0.62 4.81 -1.62 -3.42 114.58 109.95 2j56 h GLU 31 Ca -0.49 -0.26 -0.60 0.00 -0.13 0.00 0.00 59.36 57.88 2j56 h GLU 31 Cb 1.22 -0.13 -0.28 0.00 0.63 0.00 0.00 28.75 30.19 2j56 h GLU 31 CO 0.59 0.94 -0.85 0.99 -0.73 0.00 0.00 179.01 179.95 2j56 s THR 32 N -5.26 1.70 -0.94 0.32 2.01 -1.26 -5.02 115.64 107.19 2j56 s THR 32 Ca -0.12 -1.07 0.24 0.00 0.31 0.00 0.00 61.69 61.05 2j56 s THR 32 Cb 0.14 -1.45 0.21 0.00 0.01 0.00 0.00 72.50 71.40 2j56 s THR 32 CO 0.83 0.35 1.75 -0.81 -0.69 0.00 0.00 174.62 176.05 2j56 n PRO 33 N 2.19 0.04 -3.18 4.92 -0.04 -1.26 -4.65 135.00 133.02 2j56 n PRO 33 Ca -0.16 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2j56 n PRO 33 Cb 0.53 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2j56 n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2j56 s GLU 34 N -3.03 0.55 -0.16 0.54 2.12 -1.26 -1.81 118.70 115.66 2j56 s GLU 34 Ca 0.11 0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.71 2j56 s GLU 34 Cb 0.15 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2j56 s GLU 34 CO 0.44 -1.06 0.36 -1.17 -0.54 0.00 0.00 175.26 173.30 2j56 s LEU 35 N 2.72 4.24 -0.24 2.70 2.96 -0.26 -4.93 118.68 125.86 2j56 s LEU 35 Ca 0.10 0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 2j56 s LEU 35 Cb -0.10 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2j56 s LEU 35 CO -0.25 0.04 0.13 -1.00 -1.32 0.00 0.00 176.35 173.95 2j56 s HIS 36 N 0.65 3.22 0.29 5.38 3.76 -1.26 0.01 115.29 127.35 2j56 s HIS 36 Ca 0.19 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2j56 s HIS 36 Cb -0.14 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 2j56 s HIS 36 CO 0.06 -0.08 0.20 0.14 -0.85 0.00 0.00 174.74 174.21 2j56 s VAL 37 N 1.29 0.10 0.19 -0.90 -7.23 -0.02 -4.98 120.40 108.86 2j56 s VAL 37 Ca 0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2j56 s VAL 37 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2j56 s VAL 37 CO 0.06 0.00 0.20 -0.54 -0.31 0.00 0.00 175.10 174.50 2j56 s LYS 38 N -3.77 3.04 0.16 4.82 -0.14 -1.26 -0.60 119.74 122.00 2j56 s LYS 38 Ca 0.38 -0.86 -0.34 0.00 -1.36 0.00 0.00 55.97 53.79 2j56 s LYS 38 Cb 0.04 -2.70 -0.15 0.00 -1.68 0.00 0.00 37.83 33.34 2j56 s LYS 38 CO 0.20 0.46 1.32 0.28 -0.76 0.00 0.00 175.35 176.85 2j56 n VAL 39 N -0.69 0.53 0.00 3.17 0.31 -1.26 -1.15 118.33 119.24 2j56 n VAL 39 Ca -0.08 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2j56 n VAL 39 Cb 0.56 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2j56 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j56 n GLY 40 N 2.38 0.94 3.81 2.92 0.00 0.14 -5.01 105.19 110.36 2j56 n GLY 40 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2j56 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j56 s ASP 41 N -2.36 6.73 -0.19 1.61 1.01 -0.30 -4.74 116.67 118.43 2j56 s ASP 41 Ca 0.00 1.81 -0.07 0.00 0.71 0.00 0.00 52.55 55.00 2j56 s ASP 41 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2j56 s ASP 41 CO 0.00 -0.51 0.07 -0.89 0.21 0.00 0.00 175.17 174.05 2j56 s THR 42 N -2.03 4.77 -0.10 -1.27 2.01 -1.26 -1.52 115.64 116.23 2j56 s THR 42 Ca 0.63 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 2j56 s THR 42 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2j56 s THR 42 CO 0.17 0.45 0.05 -0.69 -0.69 0.00 0.00 174.62 173.91 2j56 s VAL 43 N 0.47 4.72 -0.13 3.82 1.01 0.36 -3.93 120.40 126.72 2j56 s VAL 43 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2j56 s VAL 43 Cb -0.13 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2j56 s VAL 43 CO 0.01 0.60 -0.11 -0.89 0.00 0.00 0.00 175.10 174.71 2j56 s THR 44 N -0.87 1.32 0.01 3.92 2.01 0.49 -0.75 115.64 121.78 2j56 s THR 44 Ca 0.13 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 2j56 s THR 44 Cb -0.12 -1.27 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 2j56 s THR 44 CO 0.03 0.42 0.51 0.26 -0.69 0.00 0.00 174.62 175.14 2j56 s TRP 45 N 1.55 3.73 -0.15 4.92 0.51 -0.05 -0.42 118.94 129.03 2j56 s TRP 45 Ca 0.04 1.12 -0.00 0.00 -2.12 0.00 0.00 56.10 55.14 2j56 s TRP 45 Cb -0.13 -2.45 0.03 0.00 -0.81 0.00 0.00 33.47 30.12 2j56 s TRP 45 CO -0.09 0.52 -0.09 0.42 -0.51 0.00 0.00 176.95 177.20 2j56 s ILE 46 N -0.76 1.29 -0.17 2.03 1.01 -0.13 -1.58 121.20 122.89 2j56 s ILE 46 Ca 0.27 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 2j56 s ILE 46 Cb -0.18 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 2j56 s ILE 46 CO 0.16 0.30 1.00 0.21 0.00 0.00 0.00 174.94 176.61 2j56 s ASN 47 N 1.58 7.15 0.00 3.58 2.47 -0.39 -0.45 114.94 128.89 2j56 s ASN 47 Ca 0.03 1.42 0.25 0.00 0.42 0.00 0.00 52.86 54.98 2j56 s ASN 47 Cb -0.14 -2.54 0.39 0.00 -1.45 0.00 0.00 41.25 37.52 2j56 s ASN 47 CO -0.09 -0.54 1.36 0.54 -3.72 0.00 0.00 177.10 174.65 2j56 n ARG 48 N 5.60 1.75 -4.36 0.43 5.12 0.50 0.14 116.66 125.85 2j56 n ARG 48 Ca 0.10 -1.34 -0.18 0.00 -1.93 0.00 0.00 57.85 54.49 2j56 n ARG 48 Cb 0.48 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 2j56 n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2j56 s GLU 49 N -2.17 1.47 0.17 5.56 -1.05 -1.25 -4.71 118.70 116.72 2j56 s GLU 49 Ca 0.27 -1.79 -0.04 0.00 -0.15 0.00 0.00 54.97 53.26 2j56 s GLU 49 Cb 0.20 -0.53 0.06 0.00 -0.44 0.00 0.00 34.13 33.41 2j56 s GLU 49 CO 0.40 -0.22 1.45 0.00 0.95 0.00 0.00 175.26 177.84 2j56 h ALA 50 N 2.32 0.61 -1.66 -0.84 0.00 -1.94 -3.20 119.26 114.55 2j56 h ALA 50 Ca -0.39 -0.56 -0.68 0.00 0.00 0.00 0.00 54.91 53.28 2j56 h ALA 50 Cb 1.24 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2j56 h ALA 50 CO 0.64 0.72 1.06 -0.12 0.00 0.00 0.00 179.25 181.55 2j56 n MET 51 N -3.91 1.53 -2.20 0.00 0.00 -1.26 -4.38 117.12 106.90 2j56 n MET 51 Ca -0.04 0.54 -0.40 0.00 0.00 0.00 0.00 57.70 57.81 2j56 n MET 51 Cb 0.66 -2.37 -0.02 0.00 0.00 0.00 0.00 33.22 31.49 2j56 n MET 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2j56 s PRO 52 N 4.20 4.24 0.08 2.12 0.02 -1.26 -4.81 135.00 139.59 2j56 s PRO 52 Ca 0.98 2.05 0.01 0.00 0.02 0.00 0.00 61.00 64.05 2j56 s PRO 52 Cb -0.89 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 2j56 s PRO 52 CO 0.58 -0.22 -0.05 -1.01 -0.33 0.00 0.00 177.00 175.97 2j56 s HIS 53 N -1.24 0.72 0.01 6.54 3.76 -1.04 -4.91 115.29 119.13 2j56 s HIS 53 Ca 0.52 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2j56 s HIS 53 Cb -0.36 -0.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.87 2j56 s HIS 53 CO 0.47 -0.25 0.01 0.27 -0.85 0.00 0.00 174.74 174.38 2j56 n ASN 54 N 0.04 0.03 -4.23 1.40 6.94 -1.26 0.05 115.26 118.23 2j56 n ASN 54 Ca -0.13 -1.04 -0.28 0.00 -0.02 0.00 0.00 54.58 53.10 2j56 n ASN 54 Cb 0.61 0.03 -0.16 0.00 -2.36 0.00 0.00 39.78 37.90 2j56 n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2j56 s VAL 55 N -2.01 1.72 -0.11 3.53 -7.23 -1.26 -4.27 120.40 110.77 2j56 s VAL 55 Ca 0.01 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2j56 s VAL 55 Cb 0.00 -1.44 0.04 0.00 0.56 0.00 0.00 36.38 35.55 2j56 s VAL 55 CO 0.01 0.49 0.06 -2.28 -0.31 0.00 0.00 175.10 173.07 2j56 s HIS 56 N -0.42 0.25 -0.26 2.82 5.04 0.17 -0.72 115.29 122.17 2j56 s HIS 56 Ca 0.06 -0.10 -0.10 0.00 -1.54 0.00 0.00 55.06 53.38 2j56 s HIS 56 Cb -0.09 -0.64 -0.05 0.00 0.04 0.00 0.00 32.58 31.84 2j56 s HIS 56 CO -0.00 -0.37 0.17 -0.06 -2.34 0.00 0.00 174.74 172.14 2j56 s PHE 57 N 2.11 3.25 0.98 3.88 0.40 0.01 -1.43 117.98 127.18 2j56 s PHE 57 Ca 0.03 0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.37 2j56 s PHE 57 Cb -0.14 -2.32 0.18 0.00 0.51 0.00 0.00 43.02 41.25 2j56 s PHE 57 CO -0.06 -0.08 1.08 0.14 0.70 0.00 0.00 175.22 177.00 2j56 s VAL 58 N 1.45 2.34 0.30 -0.44 -7.23 -1.26 -0.64 120.40 114.91 2j56 s VAL 58 Ca 0.07 0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 60.06 2j56 s VAL 58 Cb -0.15 -2.40 -0.13 0.00 0.56 0.00 0.00 36.38 34.26 2j56 s VAL 58 CO 0.08 -0.14 1.16 0.00 -0.31 0.00 0.00 175.10 175.88 2j56 n ALA 59 N -4.26 0.45 0.00 1.32 0.00 -1.26 -2.37 120.51 114.39 2j56 n ALA 59 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2j56 n ALA 59 Cb 0.55 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2j56 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j56 n GLY 60 N 1.17 1.60 0.06 0.00 0.00 0.13 -4.85 105.19 103.30 2j56 n GLY 60 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2j56 n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2j56 h VAL 61 N 0.00 0.43 -0.01 1.61 2.07 -1.75 -3.39 116.25 115.20 2j56 h VAL 61 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2j56 h VAL 61 Cb 0.00 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2j56 h VAL 61 CO 0.00 0.15 -0.58 0.18 0.02 0.00 0.00 177.57 177.34 2j56 n LEU 62 N -4.68 1.72 0.00 2.57 4.77 -1.26 -4.89 117.00 115.24 2j56 n LEU 62 Ca -0.07 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2j56 n LEU 62 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2j56 n LEU 62 CO 0.11 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2j56 n GLY 63 N 1.40 -1.64 0.14 -0.72 0.00 -1.26 -0.22 105.19 102.89 2j56 n GLY 63 Ca 0.08 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 2j56 n GLY 63 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2j56 h GLU 64 N 0.00 0.11 -7.01 1.61 4.81 -1.95 0.37 114.58 112.52 2j56 h GLU 64 Ca 0.00 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.75 2j56 h GLU 64 Cb 0.00 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2j56 h GLU 64 CO 0.00 0.08 0.26 0.00 -0.73 0.00 0.00 179.01 178.62 2j56 s ALA 65 N -6.18 3.17 0.68 2.92 0.00 -1.26 -2.35 121.76 118.74 2j56 s ALA 65 Ca -0.13 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 2j56 s ALA 65 Cb 0.12 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2j56 s ALA 65 CO 0.70 -0.02 1.28 0.00 0.00 0.00 0.00 175.76 177.73 2j56 s ALA 66 N -2.37 2.28 -0.37 0.00 0.00 -1.26 -4.16 121.76 115.87 2j56 s ALA 66 Ca 0.57 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.73 2j56 s ALA 66 Cb -0.10 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.58 2j56 s ALA 66 CO 0.25 -1.73 0.09 -1.17 0.00 0.00 0.00 175.76 173.20 2j56 s LEU 67 N -4.60 4.71 -0.45 0.00 0.20 0.18 -4.88 118.68 113.84 2j56 s LEU 67 Ca 0.81 -2.29 -0.16 0.00 0.69 0.00 0.00 54.13 53.18 2j56 s LEU 67 Cb -0.36 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 43.81 2j56 s LEU 67 CO 0.42 -0.36 0.42 -0.75 -0.29 0.00 0.00 176.35 175.79 2j56 s LYS 68 N 0.72 3.03 0.76 1.98 2.20 -1.26 -0.81 119.74 126.36 2j56 s LYS 68 Ca 0.12 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 54.57 2j56 s LYS 68 Cb -0.20 -4.05 0.05 0.00 -1.51 0.00 0.00 37.83 32.12 2j56 s LYS 68 CO -0.07 -0.95 1.08 0.20 -0.36 0.00 0.00 175.35 175.25 2j56 s GLY 69 N 2.20 1.66 0.52 5.54 0.00 0.10 -5.00 107.32 112.35 2j56 s GLY 69 Ca 0.08 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.70 2j56 s GLY 69 CO 0.10 0.46 1.13 2.56 0.00 0.00 0.00 173.10 177.35 2j56 s PRO 70 N -4.99 3.47 0.24 2.90 0.04 -1.26 -4.65 135.00 130.75 2j56 s PRO 70 Ca 0.60 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2j56 s PRO 70 Cb -0.16 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 2j56 s PRO 70 CO 0.56 -0.76 1.53 -1.64 0.04 0.00 0.00 177.00 176.73 2j56 s MET 71 N -3.15 4.21 -0.18 4.56 -1.94 -1.26 -4.58 119.30 116.96 2j56 s MET 71 Ca 0.70 2.41 -0.09 0.00 -1.71 0.00 0.00 55.69 57.01 2j56 s MET 71 Cb -0.24 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 2j56 s MET 71 CO 0.28 -0.54 0.12 -1.64 -0.01 0.00 0.00 175.02 173.23 2j56 s MET 72 N 0.02 3.95 0.87 2.03 -1.94 0.11 -4.81 119.30 119.52 2j56 s MET 72 Ca 0.64 -0.21 -0.09 0.00 -1.71 0.00 0.00 55.69 54.31 2j56 s MET 72 Cb -0.44 -3.33 0.19 0.00 2.01 0.00 0.00 34.83 33.26 2j56 s MET 72 CO 0.41 0.43 1.18 1.63 -0.01 0.00 0.00 175.02 178.66 2j56 n LYS 73 N 3.10 -0.77 -1.71 2.03 5.02 -1.26 -2.49 118.16 122.07 2j56 n LYS 73 Ca -0.17 -2.35 -0.43 0.00 -2.02 0.00 0.00 58.31 53.34 2j56 n LYS 73 Cb 0.53 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2j56 n LYS 73 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2j56 n LYS 74 N -3.39 2.46 -1.81 1.97 4.81 -1.21 -1.77 118.16 119.23 2j56 n LYS 74 Ca 0.17 0.88 -0.17 0.00 -0.87 0.00 0.00 58.31 58.32 2j56 n LYS 74 Cb 0.58 -2.63 -0.05 0.00 0.02 0.00 0.00 35.03 32.96 2j56 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2j56 n GLU 75 N 2.37 -1.23 -4.16 1.64 -0.58 0.12 -4.98 120.64 113.81 2j56 n GLU 75 Ca 0.11 0.99 -0.22 0.00 -0.42 0.00 0.00 57.16 57.61 2j56 n GLU 75 Cb 0.34 -5.28 -0.05 0.00 -0.57 0.00 0.00 31.44 25.88 2j56 n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2j56 s GLN 76 N -3.96 2.75 0.04 3.49 -0.21 -0.73 -0.45 119.66 120.59 2j56 s GLN 76 Ca 0.00 -1.15 -0.03 0.00 0.02 0.00 0.00 55.36 54.20 2j56 s GLN 76 Cb 0.00 -2.46 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2j56 s GLN 76 CO 0.00 0.39 0.04 0.00 -2.12 0.00 0.00 175.29 173.60 2j56 s ALA 77 N -2.18 0.14 -0.16 6.09 0.00 -0.19 -1.26 121.76 124.21 2j56 s ALA 77 Ca 0.32 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2j56 s ALA 77 Cb -0.07 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2j56 s ALA 77 CO 0.23 -0.32 0.41 -0.47 0.00 0.00 0.00 175.76 175.61 2j56 s TYR 78 N -2.88 -0.49 0.26 0.00 5.04 -0.62 -1.49 117.35 117.16 2j56 s TYR 78 Ca -0.03 1.15 0.10 0.00 -2.44 0.00 0.00 57.07 55.85 2j56 s TYR 78 Cb 0.00 0.19 -0.05 0.00 0.35 0.00 0.00 41.96 42.45 2j56 s TYR 78 CO -0.06 -0.25 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.70 2j56 s SER 79 N 0.58 4.20 -0.05 4.32 0.01 -1.26 -0.87 113.70 120.63 2j56 s SER 79 Ca -0.03 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 2j56 s SER 79 Cb -0.05 -0.65 0.01 0.00 0.21 0.00 0.00 66.02 65.55 2j56 s SER 79 CO -0.03 0.02 0.13 -0.76 0.41 0.00 0.00 173.24 173.01 2j56 s LEU 80 N -3.54 1.45 -0.22 2.44 1.43 0.07 -4.28 118.68 116.05 2j56 s LEU 80 Ca 0.30 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2j56 s LEU 80 Cb -0.06 0.43 -0.03 0.00 0.03 0.00 0.00 46.19 46.55 2j56 s LEU 80 CO 0.18 -0.05 0.06 -0.89 0.23 0.00 0.00 176.35 175.88 2j56 s THR 81 N 0.16 4.49 -0.22 5.49 2.01 0.08 -0.49 115.64 127.16 2j56 s THR 81 Ca -0.01 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 2j56 s THR 81 Cb -0.02 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2j56 s THR 81 CO -0.00 0.40 0.30 -0.36 -0.69 0.00 0.00 174.62 174.26 2j56 s PHE 82 N 1.03 3.35 -1.34 4.92 0.40 -0.58 -0.43 117.98 125.32 2j56 s PHE 82 Ca 0.04 0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.94 2j56 s PHE 82 Cb -0.14 -2.42 0.08 0.00 0.51 0.00 0.00 43.02 41.05 2j56 s PHE 82 CO 0.03 0.03 0.83 0.25 0.70 0.00 0.00 175.22 177.06 2j56 n THR 83 N 4.29 0.00 -3.76 0.64 -2.24 0.07 0.25 114.28 113.52 2j56 n THR 83 Ca -0.11 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 2j56 n THR 83 Cb 0.51 1.22 -0.13 0.00 -2.10 0.00 0.00 70.33 69.84 2j56 n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2j56 s GLU 84 N -0.96 0.18 0.27 -0.78 2.12 -1.23 -4.75 118.70 113.55 2j56 s GLU 84 Ca 0.13 0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2j56 s GLU 84 Cb 0.09 -0.05 -0.14 0.00 0.26 0.00 0.00 34.13 34.30 2j56 s GLU 84 CO 0.15 -0.11 1.21 0.00 -0.54 0.00 0.00 175.26 175.97 2j56 n ALA 85 N 3.75 0.46 0.00 6.30 0.00 -1.26 -4.84 120.51 124.92 2j56 n ALA 85 Ca -0.21 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2j56 n ALA 85 Cb 0.55 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2j56 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j56 n GLY 86 N 1.48 -2.30 3.04 0.00 0.00 -0.72 -4.99 105.19 101.71 2j56 n GLY 86 Ca 0.10 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 2j56 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j56 s THR 87 N -2.38 1.38 -0.24 2.61 2.01 -1.26 -0.70 115.64 117.06 2j56 s THR 87 Ca 0.00 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2j56 s THR 87 Cb 0.00 -1.27 0.06 0.00 0.01 0.00 0.00 72.50 71.30 2j56 s THR 87 CO 0.00 0.42 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.99 2j56 s TYR 88 N 0.92 2.44 0.39 4.92 2.02 0.70 -4.97 117.35 123.77 2j56 s TYR 88 Ca -0.09 -1.82 -0.20 0.00 -0.37 0.00 0.00 57.07 54.59 2j56 s TYR 88 Cb -0.15 -1.65 -0.10 0.00 -0.40 0.00 0.00 41.96 39.65 2j56 s TYR 88 CO -0.00 -0.79 0.89 -0.51 -1.57 0.00 0.00 175.55 173.58 2j56 s ASP 89 N 1.38 6.93 0.19 2.29 1.01 -1.26 -0.98 116.67 126.22 2j56 s ASP 89 Ca -0.04 1.60 -0.09 0.00 0.71 0.00 0.00 52.55 54.72 2j56 s ASP 89 Cb -0.19 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.23 2j56 s ASP 89 CO -0.07 -0.30 0.32 -0.72 0.21 0.00 0.00 175.17 174.61 2j56 s TYR 90 N -2.09 0.48 0.26 4.23 1.13 -0.31 -4.56 117.35 116.50 2j56 s TYR 90 Ca 0.59 -0.83 -0.08 0.00 -1.41 0.00 0.00 57.07 55.35 2j56 s TYR 90 Cb -0.10 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2j56 s TYR 90 CO 0.15 -0.78 0.40 -3.38 -2.51 0.00 0.00 175.55 169.43 2j56 s HIS 91 N -4.00 0.72 -0.26 -3.49 -3.43 -0.52 -1.65 115.29 102.65 2j56 s HIS 91 Ca 0.21 -1.01 -0.10 0.00 -0.80 0.00 0.00 55.06 53.35 2j56 s HIS 91 Cb 0.03 -0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 31.09 2j56 s HIS 91 CO 0.04 -0.96 0.17 0.00 -2.00 0.00 0.00 174.74 171.99 2j56 h THR 93 N 5.21 0.21 0.00 0.00 2.02 -1.91 0.35 112.91 118.78 2j56 h THR 93 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2j56 h THR 93 Cb 1.18 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2j56 h THR 93 CO 0.60 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.68 2j56 n PRO 94 N -5.43 0.08 -3.58 6.66 -0.04 -1.26 -4.45 135.00 126.98 2j56 n PRO 94 Ca 0.04 0.09 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 2j56 n PRO 94 Cb 0.35 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 2j56 n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2j56 n HIS 95 N -1.73 2.05 0.30 0.54 8.25 0.12 -4.94 115.22 119.80 2j56 n HIS 95 Ca 0.06 -3.97 0.19 0.00 -0.26 0.00 0.00 57.72 53.74 2j56 n HIS 95 Cb 0.35 -0.39 1.00 0.00 1.12 0.00 0.00 29.99 32.07 2j56 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2j56 h PRO 96 N 4.93 0.00 0.00 -0.41 0.11 -1.76 0.17 132.00 135.04 2j56 h PRO 96 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2j56 h PRO 96 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2j56 h PRO 96 CO 0.65 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.41 2j56 n PHE 97 N -2.88 0.17 -3.14 0.65 1.16 -1.26 -4.45 117.46 107.71 2j56 n PHE 97 Ca -0.02 0.06 -0.44 0.00 -1.87 0.00 0.00 57.45 55.19 2j56 n PHE 97 Cb 0.10 -0.60 -0.06 0.00 -1.61 0.00 0.00 39.48 37.31 2j56 n PHE 97 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2j56 s MET 98 N -3.06 3.14 0.03 3.97 -1.94 0.58 -5.06 119.30 116.96 2j56 s MET 98 Ca 0.08 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.27 2j56 s MET 98 Cb 0.11 -4.09 -0.02 0.00 2.01 0.00 0.00 34.83 32.84 2j56 s MET 98 CO 0.33 -1.22 -0.18 1.03 -0.01 0.00 0.00 175.02 174.97 2j56 s ARG 99 N 2.69 1.24 0.33 2.03 0.52 -1.26 -2.11 118.95 122.39 2j56 s ARG 99 Ca 0.16 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2j56 s ARG 99 Cb -0.19 -1.29 -0.00 0.00 0.52 0.00 0.00 34.95 33.99 2j56 s ARG 99 CO 0.12 0.33 0.44 0.20 0.02 0.00 0.00 175.30 176.42 2j56 s GLY 100 N -0.99 1.54 0.02 -3.53 0.00 -0.66 -4.76 107.32 98.93 2j56 s GLY 100 Ca 0.05 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 2j56 s GLY 100 CO 0.01 -1.05 0.05 0.54 0.00 0.00 0.00 173.10 172.66 2j56 s LYS 101 N -3.17 0.43 -0.18 2.90 1.02 -0.75 -1.16 119.74 118.83 2j56 s LYS 101 Ca 0.32 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 2j56 s LYS 101 Cb 0.00 0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 2j56 s LYS 101 CO 0.20 -0.09 -0.09 0.08 -0.92 0.00 0.00 175.35 174.53 2j56 s VAL 102 N -1.68 3.17 -0.27 3.17 1.01 -0.16 -1.10 120.40 124.53 2j56 s VAL 102 Ca -0.13 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2j56 s VAL 102 Cb -0.07 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2j56 s VAL 102 CO -0.01 0.48 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 2j56 s VAL 103 N 0.95 4.52 -0.21 2.92 1.01 0.10 -0.22 120.40 129.47 2j56 s VAL 103 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2j56 s VAL 103 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2j56 s VAL 103 CO -0.00 0.24 -0.04 -0.69 0.00 0.00 0.00 175.10 174.61 2j56 s VAL 104 N 1.63 3.51 -0.18 2.92 1.01 0.13 -0.84 120.40 128.57 2j56 s VAL 104 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2j56 s VAL 104 Cb -0.16 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2j56 s VAL 104 CO 0.05 0.43 0.55 -0.62 0.00 0.00 0.00 175.10 175.51