#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 2.06 -3.69 -1.24 5.02 -0.05 -4.93 118.16 115.33 2j56 n LYS 2 Ca 0.00 -1.79 -0.10 0.00 -2.02 0.00 0.00 58.31 54.40 2j56 n LYS 2 Cb 0.00 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.02 -0.78 0.03 7.82 0.00 -1.26 -1.34 121.76 125.22 2j56 s ALA 3 Ca 0.22 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.08 2j56 s ALA 3 Cb 0.12 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2j56 s ALA 3 CO 0.17 -0.60 -0.14 0.99 0.00 0.00 0.00 175.76 176.18 2j56 s THR 4 N -3.71 1.14 -0.55 0.00 2.01 0.13 -4.90 115.64 109.76 2j56 s THR 4 Ca 0.03 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 2j56 s THR 4 Cb 0.02 -1.01 0.14 0.00 0.01 0.00 0.00 72.50 71.66 2j56 s THR 4 CO -0.11 0.07 0.47 -0.63 -0.69 0.00 0.00 174.62 173.73 2j56 s ILE 5 N -0.75 4.81 0.10 1.82 1.01 -1.26 -0.51 121.20 126.42 2j56 s ILE 5 Ca 0.03 -1.78 -0.24 0.00 0.00 0.00 0.00 60.65 58.66 2j56 s ILE 5 Cb -0.07 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 2j56 s ILE 5 CO 0.01 -0.85 1.40 -0.65 0.00 0.00 0.00 174.94 174.85 2j56 h PRO 6 N 8.52 -0.24 -4.85 2.79 0.11 -1.95 -3.41 132.00 132.97 2j56 h PRO 6 Ca -0.21 0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.31 2j56 h PRO 6 Cb 1.08 0.05 -0.34 0.00 0.11 0.00 0.00 31.00 31.90 2j56 h PRO 6 CO 0.93 -0.16 -0.84 0.45 -0.21 0.00 0.00 178.00 178.16 2j56 s SER 7 N -4.49 2.56 0.20 -2.05 0.15 -1.26 -5.03 113.70 103.77 2j56 s SER 7 Ca -0.10 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 2j56 s SER 7 Cb 0.06 -1.16 0.11 0.00 -1.71 0.00 0.00 66.02 63.33 2j56 s SER 7 CO 0.45 0.04 1.68 -0.08 1.20 0.00 0.00 173.24 176.53 2j56 h GLU 8 N 7.31 1.08 -6.45 5.44 4.57 -1.95 -3.43 114.58 121.16 2j56 h GLU 8 Ca -0.30 -0.31 -0.63 0.00 -1.18 0.00 0.00 59.36 56.94 2j56 h GLU 8 Cb 1.18 -0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.52 2j56 h GLU 8 CO 0.50 1.02 -0.71 -1.54 -1.18 0.00 0.00 179.01 177.09 2j56 s SER 9 N -6.55 4.39 0.54 1.04 1.04 -1.26 -4.70 113.70 108.20 2j56 s SER 9 Ca -0.12 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.62 2j56 s SER 9 Cb 0.14 -0.81 -0.08 0.00 0.10 0.00 0.00 66.02 65.38 2j56 s SER 9 CO 0.85 0.12 0.84 -2.65 0.98 0.00 0.00 173.24 173.38 2j56 n PRO 10 N 0.17 0.90 -4.32 4.02 -0.02 -1.26 -4.98 135.00 129.51 2j56 n PRO 10 Ca -0.11 0.34 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 2j56 n PRO 10 Cb 0.55 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2j56 n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2j56 s PHE 11 N -1.50 1.58 0.28 6.00 -0.71 -0.63 -4.88 117.98 118.11 2j56 s PHE 11 Ca 0.70 -0.67 -0.30 0.00 -1.04 0.00 0.00 56.93 55.62 2j56 s PHE 11 Cb -0.47 -0.78 -0.12 0.00 -1.21 0.00 0.00 43.02 40.44 2j56 s PHE 11 CO 0.52 0.23 1.52 0.00 -1.34 0.00 0.00 175.22 176.15 2j56 n ALA 12 N -0.34 2.03 0.20 1.99 0.00 -1.26 -0.75 120.51 122.38 2j56 n ALA 12 Ca -0.08 0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.80 2j56 n ALA 12 Cb 0.61 -2.39 0.43 0.00 0.00 0.00 0.00 19.45 18.10 2j56 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j56 h ALA 13 N 4.46 1.26 0.00 0.00 0.00 -1.63 -2.68 119.26 120.66 2j56 h ALA 13 Ca -0.46 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2j56 h ALA 13 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2j56 h ALA 13 CO 0.77 0.40 0.01 0.00 0.00 0.00 0.00 179.25 180.43 2j56 n ALA 14 N -2.38 1.07 -0.71 0.00 0.00 -1.26 -0.92 120.51 116.30 2j56 n ALA 14 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2j56 n ALA 14 Cb 0.40 -0.98 0.32 0.00 0.00 0.00 0.00 19.45 19.19 2j56 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2j56 n GLU 15 N -1.41 3.70 -4.27 0.00 2.13 -1.01 -4.94 120.64 114.84 2j56 n GLU 15 Ca 0.00 -2.84 -0.35 0.00 0.66 0.00 0.00 57.16 54.63 2j56 n GLU 15 Cb 0.01 -1.89 -0.10 0.00 0.27 0.00 0.00 31.44 29.73 2j56 n GLU 15 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2j56 s VAL 16 N -2.16 4.38 0.33 6.31 1.01 -0.10 -5.04 120.40 125.13 2j56 s VAL 16 Ca 0.47 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 2j56 s VAL 16 Cb 0.33 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2j56 s VAL 16 CO 0.18 0.55 1.06 0.00 0.00 0.00 0.00 175.10 176.89 2j56 s ALA 17 N -0.33 3.26 0.44 5.51 0.00 -1.26 -5.00 121.76 124.38 2j56 s ALA 17 Ca 0.07 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 2j56 s ALA 17 Cb -0.12 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2j56 s ALA 17 CO 0.02 -0.13 1.08 -0.25 0.00 0.00 0.00 175.76 176.48 2j56 n ASP 18 N 0.66 1.60 0.00 0.00 10.43 -1.26 -1.89 116.55 126.08 2j56 n ASP 18 Ca 0.02 1.03 0.00 0.00 2.57 0.00 0.00 54.79 58.40 2j56 n ASP 18 Cb 0.47 -1.40 0.00 0.00 1.84 0.00 0.00 41.12 42.03 2j56 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j56 n GLY 19 N 1.08 0.08 3.61 0.44 0.00 -1.26 -4.97 105.19 104.18 2j56 n GLY 19 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2j56 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j56 n ALA 20 N 1.00 -0.08 -2.53 4.61 0.00 -0.79 -4.94 120.51 117.77 2j56 n ALA 20 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2j56 n ALA 20 Cb 0.18 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 2j56 n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j56 s ILE 21 N -1.67 4.34 -0.07 0.00 1.01 -1.26 -5.01 121.20 118.54 2j56 s ILE 21 Ca 0.75 1.54 0.04 0.00 0.00 0.00 0.00 60.65 62.97 2j56 s ILE 21 Cb -0.38 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 37.82 2j56 s ILE 21 CO 0.48 -0.45 -0.18 -0.69 0.00 0.00 0.00 174.94 174.11 2j56 s VAL 22 N 3.92 1.59 -0.31 2.92 1.01 -1.26 -0.45 120.40 127.82 2j56 s VAL 22 Ca 0.51 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2j56 s VAL 22 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2j56 s VAL 22 CO 0.18 0.45 0.12 -0.69 0.00 0.00 0.00 175.10 175.17 2j56 s VAL 23 N 0.37 4.31 0.42 2.92 1.01 -0.39 -4.95 120.40 124.09 2j56 s VAL 23 Ca -0.13 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2j56 s VAL 23 Cb -0.16 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2j56 s VAL 23 CO 0.05 0.05 0.95 -1.81 0.00 0.00 0.00 175.10 174.34 2j56 s ASP 24 N 1.56 6.97 -0.16 3.32 1.01 -1.26 -0.88 116.67 127.22 2j56 s ASP 24 Ca 0.04 1.69 0.01 0.00 0.71 0.00 0.00 52.55 55.00 2j56 s ASP 24 Cb -0.17 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.23 2j56 s ASP 24 CO 0.05 -0.34 -0.19 -0.63 0.21 0.00 0.00 175.17 174.26 2j56 s ILE 25 N -2.14 1.95 -0.07 0.77 1.01 0.43 -0.87 121.20 122.28 2j56 s ILE 25 Ca 0.61 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 2j56 s ILE 25 Cb -0.10 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.68 2j56 s ILE 25 CO 0.14 0.52 0.62 0.00 0.00 0.00 0.00 174.94 176.22 2j56 s ALA 26 N 1.14 -1.59 -1.46 9.38 0.00 -1.00 0.19 121.76 128.42 2j56 s ALA 26 Ca 0.00 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 2j56 s ALA 26 Cb -0.14 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 22.92 2j56 s ALA 26 CO -0.08 -0.34 0.89 1.63 0.00 0.00 0.00 175.76 177.85 2j56 n LYS 27 N 1.19 -5.37 -3.14 0.00 5.02 -1.26 -2.12 118.16 112.48 2j56 n LYS 27 Ca -0.19 0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 56.48 2j56 n LYS 27 Cb 0.57 -5.38 0.02 0.00 -0.02 0.00 0.00 35.03 30.22 2j56 n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2j56 n MET 28 N -4.56 -4.36 -3.89 1.97 2.81 -1.26 -4.98 117.12 102.85 2j56 n MET 28 Ca -0.07 0.75 -0.11 0.00 -1.81 0.00 0.00 57.70 56.46 2j56 n MET 28 Cb 0.58 -5.56 -0.11 0.00 -0.71 0.00 0.00 33.22 27.42 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 -5.81 0.37 -0.20 0.03 1.02 -0.90 -4.75 119.74 109.51 2j56 s LYS 29 Ca 0.34 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.70 2j56 s LYS 29 Cb -0.16 0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2j56 s LYS 29 CO 0.41 -0.08 1.15 0.71 -0.92 0.00 0.00 175.35 176.62 2j56 s TYR 30 N -1.10 3.10 -0.31 3.18 2.02 -1.26 -2.37 117.35 120.61 2j56 s TYR 30 Ca -0.12 1.25 0.27 0.00 -0.37 0.00 0.00 57.07 58.10 2j56 s TYR 30 Cb -0.07 -3.38 0.91 0.00 -0.40 0.00 0.00 41.96 39.02 2j56 s TYR 30 CO 0.01 -1.07 1.79 0.93 -1.57 0.00 0.00 175.55 175.64 2j56 h GLU 31 N 7.81 0.00 -2.85 -0.62 5.08 -1.34 -3.17 114.58 119.50 2j56 h GLU 31 Ca -0.23 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.52 2j56 h GLU 31 Cb 1.08 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.92 2j56 h GLU 31 CO 0.97 0.00 -0.67 2.41 -1.00 0.00 0.00 179.01 180.73 2j56 n THR 32 N -2.78 1.06 0.37 1.13 -1.04 -1.26 -4.97 114.28 106.78 2j56 n THR 32 Ca 0.03 -4.58 0.12 0.00 -2.04 0.00 0.00 64.05 57.58 2j56 n THR 32 Cb 0.38 -2.07 0.51 0.00 -1.82 0.00 0.00 70.33 67.33 2j56 n THR 32 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2j56 n PRO 33 N 2.04 0.19 -3.72 -2.82 -0.04 -1.20 -4.15 135.00 125.31 2j56 n PRO 33 Ca 0.23 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 2j56 n PRO 33 Cb 0.38 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.35 0.68 -0.15 0.54 2.12 -1.26 -1.51 118.70 115.77 2j56 s GLU 34 Ca 0.03 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.36 2j56 s GLU 34 Cb 0.09 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.52 2j56 s GLU 34 CO 0.37 -0.95 -0.04 -1.17 -0.54 0.00 0.00 175.26 172.93 2j56 s LEU 35 N 1.68 3.26 -0.23 2.70 2.96 -0.59 -4.98 118.68 123.47 2j56 s LEU 35 Ca 0.09 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2j56 s LEU 35 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2j56 s LEU 35 CO -0.25 0.19 0.03 -1.00 -1.32 0.00 0.00 176.35 174.01 2j56 s HIS 36 N 0.21 3.05 0.33 5.38 3.76 -1.26 0.95 115.29 127.71 2j56 s HIS 36 Ca -0.02 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 2j56 s HIS 36 Cb -0.14 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2j56 s HIS 36 CO 0.03 -0.36 0.13 0.14 -0.85 0.00 0.00 174.74 173.84 2j56 s VAL 37 N 1.42 0.53 0.07 -0.90 -7.23 0.00 -4.98 120.40 109.31 2j56 s VAL 37 Ca 0.05 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2j56 s VAL 37 Cb -0.15 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2j56 s VAL 37 CO 0.02 0.00 0.16 -0.54 -0.31 0.00 0.00 175.10 174.43 2j56 s LYS 38 N -3.81 3.21 0.02 4.82 -0.14 -1.26 -0.63 119.74 121.95 2j56 s LYS 38 Ca 0.33 -0.55 -0.39 0.00 -1.36 0.00 0.00 55.97 54.01 2j56 s LYS 38 Cb 0.05 -2.91 -0.18 0.00 -1.68 0.00 0.00 37.83 33.11 2j56 s LYS 38 CO 0.16 0.59 1.23 0.28 -0.76 0.00 0.00 175.35 176.86 2j56 n VAL 39 N 0.33 0.01 0.00 3.17 0.31 -1.26 -0.07 118.33 120.81 2j56 n VAL 39 Ca -0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2j56 n VAL 39 Cb 0.51 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 2.14 1.88 3.76 2.92 0.00 0.11 -5.03 105.19 110.97 2j56 n GLY 40 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 5.49 -0.22 1.61 1.11 0.90 -4.67 116.67 119.08 2j56 s ASP 41 Ca 0.00 2.48 -0.07 0.00 0.18 0.00 0.00 52.55 55.14 2j56 s ASP 41 Cb 0.00 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 2j56 s ASP 41 CO 0.00 -1.39 0.05 -0.89 1.18 0.00 0.00 175.17 174.11 2j56 s THR 42 N -1.49 4.28 -0.13 -1.27 2.01 -1.26 -0.76 115.64 117.01 2j56 s THR 42 Ca 0.72 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 2j56 s THR 42 Cb -0.33 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2j56 s THR 42 CO 0.38 0.39 0.12 -0.69 -0.69 0.00 0.00 174.62 174.12 2j56 s VAL 43 N 1.22 5.30 -0.18 3.82 1.01 0.83 -4.09 120.40 128.32 2j56 s VAL 43 Ca 0.04 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2j56 s VAL 43 Cb -0.14 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2j56 s VAL 43 CO 0.03 0.58 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2j56 s THR 44 N -0.68 1.73 0.03 3.92 2.01 0.40 -0.83 115.64 122.22 2j56 s THR 44 Ca 0.13 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 2j56 s THR 44 Cb -0.12 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 2j56 s THR 44 CO 0.02 0.35 0.65 0.26 -0.69 0.00 0.00 174.62 175.21 2j56 s TRP 45 N 1.40 3.72 -0.10 4.92 0.51 0.55 -1.26 118.94 128.68 2j56 s TRP 45 Ca 0.02 1.30 0.02 0.00 -2.12 0.00 0.00 56.10 55.32 2j56 s TRP 45 Cb -0.14 -2.66 0.02 0.00 -0.81 0.00 0.00 33.47 29.87 2j56 s TRP 45 CO -0.10 0.36 -0.14 0.42 -0.51 0.00 0.00 176.95 176.98 2j56 s ILE 46 N -0.30 1.42 -0.22 2.03 1.01 -0.06 -0.69 121.20 124.38 2j56 s ILE 46 Ca 0.33 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 2j56 s ILE 46 Cb -0.19 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 40.98 2j56 s ILE 46 CO 0.19 0.42 1.02 0.21 0.00 0.00 0.00 174.94 176.79 2j56 s ASN 47 N 1.02 7.10 0.00 3.58 3.84 -0.31 -0.42 114.94 129.75 2j56 s ASN 47 Ca -0.06 1.38 0.23 0.00 0.21 0.00 0.00 52.86 54.62 2j56 s ASN 47 Cb -0.15 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 38.70 2j56 s ASN 47 CO -0.02 -0.64 1.52 0.54 -2.79 0.00 0.00 177.10 175.72 2j56 n ARG 48 N 6.16 1.95 -4.32 0.43 5.12 0.13 0.99 116.66 127.13 2j56 n ARG 48 Ca 0.11 -1.42 -0.16 0.00 -1.93 0.00 0.00 57.85 54.45 2j56 n ARG 48 Cb 0.46 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 30.21 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 -1.81 1.32 0.35 5.56 -1.05 -1.25 -4.82 118.70 117.01 2j56 s GLU 49 Ca 0.34 -1.68 0.12 0.00 -0.15 0.00 0.00 54.97 53.61 2j56 s GLU 49 Cb 0.20 -0.49 0.65 0.00 -0.44 0.00 0.00 34.13 34.04 2j56 s GLU 49 CO 0.30 -0.15 1.78 0.00 0.95 0.00 0.00 175.26 178.14 2j56 h ALA 50 N 2.48 1.30 -2.19 -0.84 0.00 -1.95 -3.15 119.26 114.92 2j56 h ALA 50 Ca -0.38 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.58 2j56 h ALA 50 Cb 1.22 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2j56 h ALA 50 CO 0.64 0.53 1.27 -0.12 0.00 0.00 0.00 179.25 181.56 2j56 n MET 51 N -4.04 2.52 -1.87 0.00 0.00 -1.26 -4.52 117.12 107.96 2j56 n MET 51 Ca -0.02 0.89 -0.41 0.00 0.00 0.00 0.00 57.70 58.16 2j56 n MET 51 Cb 0.45 -2.97 -0.01 0.00 0.00 0.00 0.00 33.22 30.68 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 4.81 4.17 0.10 2.12 0.02 -1.26 -4.82 135.00 140.14 2j56 s PRO 52 Ca 0.93 2.48 0.01 0.00 0.02 0.00 0.00 61.00 64.44 2j56 s PRO 52 Cb -0.48 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 2j56 s PRO 52 CO 0.43 -0.50 -0.05 -1.01 -0.33 0.00 0.00 177.00 175.54 2j56 s HIS 53 N -0.58 0.84 0.05 6.54 3.76 -1.14 -4.94 115.29 119.82 2j56 s HIS 53 Ca 0.57 -0.97 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2j56 s HIS 53 Cb -0.45 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.73 2j56 s HIS 53 CO 0.54 -0.22 0.03 0.27 -0.85 0.00 0.00 174.74 174.51 2j56 n ASN 54 N -0.03 0.16 -4.43 1.40 6.94 -1.26 0.36 115.26 118.40 2j56 n ASN 54 Ca -0.12 -1.29 -0.30 0.00 -0.02 0.00 0.00 54.58 52.85 2j56 n ASN 54 Cb 0.61 0.20 -0.13 0.00 -2.36 0.00 0.00 39.78 38.11 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 -2.08 2.54 -0.10 3.53 -7.23 -1.26 -4.35 120.40 111.46 2j56 s VAL 55 Ca 0.05 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2j56 s VAL 55 Cb 0.00 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2j56 s VAL 55 CO 0.03 0.21 0.21 -2.28 -0.31 0.00 0.00 175.10 172.96 2j56 s HIS 56 N -1.00 -0.29 -0.16 2.82 5.04 0.65 -0.50 115.29 121.85 2j56 s HIS 56 Ca 0.15 0.75 -0.02 0.00 -1.54 0.00 0.00 55.06 54.40 2j56 s HIS 56 Cb -0.10 -0.12 -0.01 0.00 0.04 0.00 0.00 32.58 32.38 2j56 s HIS 56 CO 0.06 -0.29 -0.09 -0.06 -2.34 0.00 0.00 174.74 172.02 2j56 s PHE 57 N 2.10 2.89 0.95 3.88 0.40 0.18 -1.09 117.98 127.29 2j56 s PHE 57 Ca -0.00 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.50 2j56 s PHE 57 Cb -0.12 -1.94 0.16 0.00 0.51 0.00 0.00 43.02 41.63 2j56 s PHE 57 CO -0.07 -0.31 1.09 0.14 0.70 0.00 0.00 175.22 176.77 2j56 s VAL 58 N 0.73 2.38 0.17 -0.44 -7.23 -1.26 -0.51 120.40 114.23 2j56 s VAL 58 Ca -0.04 0.12 -0.34 0.00 -1.81 0.00 0.00 61.98 59.92 2j56 s VAL 58 Cb -0.15 -2.58 -0.15 0.00 0.56 0.00 0.00 36.38 34.07 2j56 s VAL 58 CO 0.02 -0.16 1.37 0.00 -0.31 0.00 0.00 175.10 176.02 2j56 n ALA 59 N -4.07 0.21 -0.08 1.32 0.00 -1.26 -2.59 120.51 114.04 2j56 n ALA 59 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2j56 n ALA 59 Cb 0.56 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.51 0.64 0.06 0.00 0.00 0.66 -4.88 105.19 104.18 2j56 n GLY 60 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.28 1.61 2.07 -1.82 -3.41 116.25 114.42 2j56 h VAL 61 Ca 0.00 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2j56 h VAL 61 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2j56 h VAL 61 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 2j56 n LEU 62 N -4.32 2.78 0.00 2.57 4.77 -1.26 -4.86 117.00 116.68 2j56 n LEU 62 Ca -0.06 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2j56 n LEU 62 Cb 0.21 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2j56 n LEU 62 CO 0.08 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2j56 n GLY 63 N 1.36 0.01 0.19 -0.72 0.00 -1.26 -0.87 105.19 103.89 2j56 n GLY 63 Ca 0.18 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 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 3.76 0.60 -6.75 1.61 4.81 -1.95 0.19 114.58 116.85 2j56 h GLU 64 Ca 0.00 -0.39 -0.49 0.00 -0.13 0.00 0.00 59.36 58.34 2j56 h GLU 64 Cb 0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2j56 h GLU 64 CO 0.00 1.01 0.10 0.00 -0.73 0.00 0.00 179.01 179.39 2j56 s ALA 65 N -4.03 3.32 0.48 2.92 0.00 -1.26 -3.31 121.76 119.88 2j56 s ALA 65 Ca -0.13 -0.00 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 2j56 s ALA 65 Cb 0.07 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.36 2j56 s ALA 65 CO 0.83 0.27 1.30 0.00 0.00 0.00 0.00 175.76 178.15 2j56 s ALA 66 N -2.06 3.02 -0.41 0.00 0.00 -1.26 -4.38 121.76 116.67 2j56 s ALA 66 Ca 0.54 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 2j56 s ALA 66 Cb -0.10 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2j56 s ALA 66 CO 0.20 -1.02 0.34 -1.17 0.00 0.00 0.00 175.76 174.11 2j56 s LEU 67 N -3.02 4.97 -0.57 0.00 0.20 0.33 -4.87 118.68 115.73 2j56 s LEU 67 Ca 0.64 -0.78 -0.08 0.00 0.69 0.00 0.00 54.13 54.61 2j56 s LEU 67 Cb -0.37 -2.23 0.15 0.00 -0.43 0.00 0.00 46.19 43.31 2j56 s LEU 67 CO 0.45 -0.47 0.43 -0.54 -0.29 0.00 0.00 176.35 175.93 2j56 s LYS 68 N 1.82 2.64 0.82 1.98 1.02 -1.26 0.47 119.74 127.24 2j56 s LYS 68 Ca 0.07 -2.09 -0.12 0.00 0.02 0.00 0.00 55.97 53.85 2j56 s LYS 68 Cb -0.18 -3.93 0.09 0.00 -0.52 0.00 0.00 37.83 33.29 2j56 s LYS 68 CO 0.11 -1.20 1.15 0.20 -0.92 0.00 0.00 175.35 174.69 2j56 s GLY 69 N 1.98 1.88 0.50 -3.33 0.00 0.35 -4.99 107.32 103.70 2j56 s GLY 69 Ca 0.11 0.59 -0.21 0.00 0.00 0.00 0.00 44.72 45.21 2j56 s GLY 69 CO -0.03 0.99 1.11 2.56 0.00 0.00 0.00 173.10 177.73 2j56 s PRO 70 N -4.49 3.62 0.10 2.90 0.04 -1.26 -4.65 135.00 131.26 2j56 s PRO 70 Ca 0.67 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 2j56 s PRO 70 Cb -0.23 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 2j56 s PRO 70 CO 0.53 -0.63 1.50 -1.64 0.04 0.00 0.00 177.00 176.81 2j56 s MET 71 N -3.06 4.26 -0.19 4.56 -1.94 -1.26 -4.54 119.30 117.12 2j56 s MET 71 Ca 0.68 2.19 -0.18 0.00 -1.71 0.00 0.00 55.69 56.67 2j56 s MET 71 Cb -0.23 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 2j56 s MET 71 CO 0.27 -0.58 0.51 -1.64 -0.01 0.00 0.00 175.02 173.58 2j56 s MET 72 N 1.69 4.21 0.99 2.03 -1.94 0.16 -4.85 119.30 121.58 2j56 s MET 72 Ca 0.68 0.42 -0.17 0.00 -1.71 0.00 0.00 55.69 54.91 2j56 s MET 72 Cb -0.38 -3.55 0.22 0.00 2.01 0.00 0.00 34.83 33.13 2j56 s MET 72 CO 0.30 -0.11 1.34 0.15 -0.01 0.00 0.00 175.02 176.69 2j56 s LYS 73 N 1.51 0.41 0.09 2.03 1.02 -1.26 -2.89 119.74 120.66 2j56 s LYS 73 Ca 0.24 -0.48 -0.34 0.00 0.02 0.00 0.00 55.97 55.42 2j56 s LYS 73 Cb -0.15 -1.83 -0.13 0.00 -0.52 0.00 0.00 37.83 35.20 2j56 s LYS 73 CO 0.10 -2.56 1.70 1.17 -0.92 0.00 0.00 175.35 174.83 2j56 n LYS 74 N -3.85 2.27 -1.93 1.68 4.81 -1.19 -1.16 118.16 118.78 2j56 n LYS 74 Ca 0.16 0.82 -0.14 0.00 -0.87 0.00 0.00 58.31 58.28 2j56 n LYS 74 Cb 0.59 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 32.98 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 4.56 -1.09 -3.94 1.64 -0.58 0.28 -4.99 120.64 116.51 2j56 n GLU 75 Ca 0.18 0.82 -0.27 0.00 -0.42 0.00 0.00 57.16 57.48 2j56 n GLU 75 Cb 0.30 -5.05 -0.03 0.00 -0.57 0.00 0.00 31.44 26.09 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 -4.12 3.43 0.14 3.49 -0.21 -0.31 -1.67 119.66 120.40 2j56 s GLN 76 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.85 2j56 s GLN 76 Cb 0.00 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 2j56 s GLN 76 CO 0.00 0.54 -0.11 0.00 -2.12 0.00 0.00 175.29 173.60 2j56 s ALA 77 N -1.70 1.45 -0.17 6.09 0.00 0.07 -1.16 121.76 126.35 2j56 s ALA 77 Ca 0.35 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 2j56 s ALA 77 Cb -0.11 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2j56 s ALA 77 CO 0.28 -0.05 0.43 -0.47 0.00 0.00 0.00 175.76 175.95 2j56 s TYR 78 N -3.03 -0.52 0.09 0.00 5.04 0.13 -1.60 117.35 117.46 2j56 s TYR 78 Ca 0.14 1.21 0.09 0.00 -2.44 0.00 0.00 57.07 56.08 2j56 s TYR 78 Cb 0.01 0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.48 2j56 s TYR 78 CO 0.01 -0.26 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.60 2j56 s SER 79 N 0.51 2.87 -0.02 4.32 0.01 -1.26 -0.33 113.70 119.80 2j56 s SER 79 Ca -0.02 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2j56 s SER 79 Cb -0.04 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.00 2j56 s SER 79 CO -0.03 0.15 -0.04 -0.76 0.41 0.00 0.00 173.24 172.97 2j56 s LEU 80 N -1.69 1.62 -0.30 2.44 1.43 -0.01 -3.97 118.68 118.19 2j56 s LEU 80 Ca 0.10 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 2j56 s LEU 80 Cb -0.10 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 2j56 s LEU 80 CO 0.04 -0.00 0.21 -0.89 0.23 0.00 0.00 176.35 175.93 2j56 s THR 81 N 0.44 5.27 -0.32 5.49 2.01 0.33 -0.12 115.64 128.75 2j56 s THR 81 Ca -0.05 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 2j56 s THR 81 Cb -0.09 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2j56 s THR 81 CO -0.00 0.14 0.61 -0.36 -0.69 0.00 0.00 174.62 174.33 2j56 s PHE 82 N 1.74 3.20 -1.09 4.92 0.40 0.06 0.21 117.98 127.42 2j56 s PHE 82 Ca 0.07 0.49 0.16 0.00 -0.60 0.00 0.00 56.93 57.05 2j56 s PHE 82 Cb -0.17 -3.01 0.52 0.00 0.51 0.00 0.00 43.02 40.88 2j56 s PHE 82 CO 0.11 -0.51 1.44 0.25 0.70 0.00 0.00 175.22 177.21 2j56 n THR 83 N 5.43 1.41 -3.64 0.64 -2.24 -0.45 0.10 114.28 115.54 2j56 n THR 83 Ca -0.02 -1.18 -0.07 0.00 -2.27 0.00 0.00 64.05 60.51 2j56 n THR 83 Cb 0.49 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.49 0.70 0.70 -0.78 2.12 -1.24 -4.81 118.70 113.91 2j56 s GLU 84 Ca 0.39 1.18 -0.16 0.00 0.36 0.00 0.00 54.97 56.74 2j56 s GLU 84 Cb 0.24 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.80 2j56 s GLU 84 CO 0.21 -0.14 1.19 0.00 -0.54 0.00 0.00 175.26 175.98 2j56 n ALA 85 N 4.15 0.55 0.00 6.30 0.00 -1.26 -4.86 120.51 125.38 2j56 n ALA 85 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2j56 n ALA 85 Cb 0.59 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 0.88 -0.16 3.06 0.00 0.00 -0.31 -4.97 105.19 103.69 2j56 n GLY 86 Ca 0.15 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.99 1.68 -0.25 2.61 2.01 -1.26 -0.43 115.64 118.00 2j56 s THR 87 Ca 0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2j56 s THR 87 Cb 0.00 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2j56 s THR 87 CO 0.00 0.48 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.99 2j56 s TYR 88 N 1.21 3.20 0.27 4.92 2.02 -0.23 -4.98 117.35 123.77 2j56 s TYR 88 Ca -0.00 -2.15 -0.17 0.00 -0.37 0.00 0.00 57.07 54.38 2j56 s TYR 88 Cb -0.14 -1.96 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 2j56 s TYR 88 CO -0.07 -0.85 0.73 -0.51 -1.57 0.00 0.00 175.55 173.28 2j56 s ASP 89 N 1.15 6.91 0.18 2.29 1.01 -1.26 -0.54 116.67 126.42 2j56 s ASP 89 Ca -0.06 1.34 -0.06 0.00 0.71 0.00 0.00 52.55 54.48 2j56 s ASP 89 Cb -0.19 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2j56 s ASP 89 CO -0.05 -0.09 0.23 -0.72 0.21 0.00 0.00 175.17 174.74 2j56 s TYR 90 N -1.76 0.71 0.33 4.23 1.13 0.32 -4.52 117.35 117.78 2j56 s TYR 90 Ca 0.49 -1.04 -0.00 0.00 -1.41 0.00 0.00 57.07 55.11 2j56 s TYR 90 Cb -0.13 -0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.47 2j56 s TYR 90 CO 0.19 -0.71 0.40 -3.38 -2.51 0.00 0.00 175.55 169.54 2j56 s HIS 91 N -4.05 1.24 -0.26 -3.49 -3.43 -0.25 -1.08 115.29 103.97 2j56 s HIS 91 Ca 0.26 -1.38 -0.14 0.00 -0.80 0.00 0.00 55.06 53.00 2j56 s HIS 91 Cb 0.04 -0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 2j56 s HIS 91 CO 0.06 -1.02 0.31 0.00 -2.00 0.00 0.00 174.74 172.09 2j56 h THR 93 N 5.29 0.00 0.00 0.00 2.02 -1.90 0.98 112.91 119.30 2j56 h THR 93 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2j56 h THR 93 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2j56 h THR 93 CO 0.63 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.71 2j56 n PRO 94 N -4.47 0.04 -3.33 6.66 -0.04 -1.26 -4.21 135.00 128.39 2j56 n PRO 94 Ca 0.01 0.20 -0.26 0.00 -0.04 0.00 0.00 63.50 63.42 2j56 n PRO 94 Cb 0.17 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.64 0.77 0.41 0.54 8.25 0.32 -4.96 115.22 118.91 2j56 n HIS 95 Ca 0.04 -3.72 0.07 0.00 -0.26 0.00 0.00 57.72 53.86 2j56 n HIS 95 Cb 0.24 -0.32 0.32 0.00 1.12 0.00 0.00 29.99 31.35 2j56 n HIS 95 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2j56 n PRO 96 N 1.56 0.04 0.15 -0.41 -0.02 -1.14 -0.32 135.00 134.87 2j56 n PRO 96 Ca 0.25 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2j56 n PRO 96 Cb 0.48 -1.59 0.42 0.00 -0.02 0.00 0.00 33.50 32.79 2j56 n PRO 96 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2j56 h PHE 97 N 0.00 0.00 -3.58 6.00 -5.15 -1.93 -3.42 116.94 108.86 2j56 h PHE 97 Ca 0.00 0.00 -0.61 0.00 -0.20 0.00 0.00 57.97 57.16 2j56 h PHE 97 Cb 0.23 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 36.30 2j56 h PHE 97 CO 0.00 0.00 0.48 -1.64 -2.00 0.00 0.00 178.31 175.15 2j56 s MET 98 N -3.23 3.64 0.08 6.09 -1.94 0.56 -5.03 119.30 119.47 2j56 s MET 98 Ca 0.07 0.24 0.06 0.00 -1.71 0.00 0.00 55.69 54.35 2j56 s MET 98 Cb 0.10 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 2j56 s MET 98 CO 0.55 -1.04 -0.16 1.03 -0.01 0.00 0.00 175.02 175.39 2j56 s ARG 99 N 3.41 0.92 0.36 2.03 0.52 -1.26 -1.83 118.95 123.10 2j56 s ARG 99 Ca 0.34 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 2j56 s ARG 99 Cb -0.12 -0.99 0.03 0.00 0.52 0.00 0.00 34.95 34.38 2j56 s ARG 99 CO 0.21 0.22 0.62 0.20 0.02 0.00 0.00 175.30 176.58 2j56 s GLY 100 N -1.85 0.98 -0.15 -3.53 0.00 -0.24 -4.71 107.32 97.82 2j56 s GLY 100 Ca 0.01 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 2j56 s GLY 100 CO 0.03 -0.68 0.36 1.25 0.00 0.00 0.00 173.10 174.06 2j56 s LYS 101 N -2.71 0.32 -0.25 2.90 2.20 -0.57 -0.52 119.74 121.10 2j56 s LYS 101 Ca 0.24 0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 2j56 s LYS 101 Cb -0.03 -0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2j56 s LYS 101 CO 0.16 -0.18 0.02 0.08 -0.36 0.00 0.00 175.35 175.07 2j56 s VAL 102 N 1.60 3.68 -0.39 4.02 1.01 0.30 -1.55 120.40 129.07 2j56 s VAL 102 Ca -0.08 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2j56 s VAL 102 Cb -0.10 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2j56 s VAL 102 CO -0.11 0.27 0.35 -0.69 0.00 0.00 0.00 175.10 174.92 2j56 s VAL 103 N 1.49 5.19 -0.27 2.92 1.01 0.27 -1.06 120.40 129.95 2j56 s VAL 103 Ca 0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2j56 s VAL 103 Cb -0.16 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2j56 s VAL 103 CO -0.00 -0.25 0.17 -0.69 0.00 0.00 0.00 175.10 174.32 2j56 s VAL 104 N 1.92 5.19 -0.71 2.92 1.01 0.43 -0.82 120.40 130.33 2j56 s VAL 104 Ca 0.09 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2j56 s VAL 104 Cb -0.18 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.80 2j56 s VAL 104 CO 0.12 0.29 0.68 -0.62 0.00 0.00 0.00 175.10 175.56