#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipa s ALA 2 N 0.00 -0.79 -0.78 3.04 0.00 -1.26 -5.03 121.76 116.94 2ipa s ALA 2 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2ipa s ALA 2 Cb 0.00 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.07 2ipa s ALA 2 CO 0.00 -0.97 1.09 0.42 0.00 0.00 0.00 175.76 176.29 2ipa s ILE 3 N -3.52 4.34 0.78 0.00 1.09 -1.26 -2.90 121.20 119.73 2ipa s ILE 3 Ca 0.16 -0.67 -0.12 0.00 -1.10 0.00 0.00 60.65 58.92 2ipa s ILE 3 Cb -0.04 -4.77 0.06 0.00 -1.06 0.00 0.00 42.46 36.65 2ipa s ILE 3 CO 0.09 -1.56 1.15 -0.69 -0.10 0.00 0.00 174.94 173.83 2ipa s VAL 4 N 3.94 2.37 -0.22 2.92 1.01 0.05 -4.88 120.40 125.58 2ipa s VAL 4 Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2ipa s VAL 4 Cb -0.11 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.21 2ipa s VAL 4 CO 0.03 -0.15 -0.08 -0.75 0.00 0.00 0.00 175.10 174.15 2ipa s LYS 5 N -5.51 1.88 0.85 2.72 2.47 -1.26 -0.56 119.74 120.32 2ipa s LYS 5 Ca 0.61 -0.99 -0.12 0.00 -1.56 0.00 0.00 55.97 53.91 2ipa s LYS 5 Cb -0.11 -2.57 0.12 0.00 -1.46 0.00 0.00 37.83 33.81 2ipa s LYS 5 CO 0.49 -0.53 1.20 0.00 0.16 0.00 0.00 175.35 176.68 2ipa s ALA 6 N 1.35 2.60 0.19 3.13 0.00 0.10 -4.93 121.76 124.19 2ipa s ALA 6 Ca -0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2ipa s ALA 6 Cb -0.18 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2ipa s ALA 6 CO -0.07 -1.88 0.33 -2.37 0.00 0.00 0.00 175.76 171.77 2ipa n THR 7 N -3.41 0.00 -0.43 0.00 5.66 -1.26 -4.72 114.28 110.11 2ipa n THR 7 Ca 0.11 -0.66 0.37 0.00 -3.05 0.00 0.00 64.05 60.82 2ipa n THR 7 Cb 0.60 0.52 0.64 0.00 -1.55 0.00 0.00 70.33 70.54 2ipa n THR 7 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2ipa h ASP 8 N 0.98 0.25 0.00 1.09 3.58 -1.94 -0.98 116.42 119.41 2ipa h ASP 8 Ca -0.15 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2ipa h ASP 8 Cb 0.61 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2ipa h ASP 8 CO 0.20 -0.25 -0.51 0.00 -2.88 0.00 0.00 179.24 175.80 2ipa n GLN 9 N -4.81 1.99 0.31 0.28 6.02 -1.26 -4.67 117.38 115.24 2ipa n GLN 9 Ca 0.38 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.55 2ipa n GLN 9 Cb 1.44 -0.75 0.99 0.00 1.02 0.00 0.00 30.24 32.94 2ipa n GLN 9 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2ipa h SER 10 N 0.00 0.00 -0.08 1.08 0.02 -1.92 -1.57 113.55 111.07 2ipa h SER 10 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2ipa h SER 10 Cb 0.51 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 2ipa h SER 10 CO 0.00 0.02 -0.34 0.15 -1.14 0.00 0.00 176.83 175.52 2ipa h PHE 11 N 0.00 -0.96 -0.54 3.45 3.57 -1.46 -0.73 116.94 120.27 2ipa h PHE 11 Ca -0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.09 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2ipa h PHE 11 CO 0.00 -0.42 0.27 0.77 -2.23 0.00 0.00 178.31 176.70 2ipa h SER 12 N -0.45 0.70 -0.56 0.41 0.02 -1.57 -2.25 113.55 109.85 2ipa h SER 12 Ca 0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2ipa h SER 12 Cb 0.57 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2ipa h SER 12 CO -0.33 0.62 0.27 0.00 -1.14 0.00 0.00 176.83 176.24 2ipa h ALA 13 N 1.11 1.35 0.00 3.77 0.00 -1.15 -0.83 119.26 123.52 2ipa h ALA 13 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ipa h ALA 13 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2ipa h ALA 13 CO -0.03 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.11 2ipa n GLU 14 N -4.35 0.21 0.00 0.00 -0.58 -0.31 -4.16 120.64 111.45 2ipa n GLU 14 Ca 0.05 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 56.98 2ipa n GLU 14 Cb 0.14 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2ipa n GLU 14 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2ipa n THR 15 N -2.11 0.00 1.03 2.62 -2.24 -0.50 -4.68 114.28 108.40 2ipa n THR 15 Ca 0.06 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2ipa n THR 15 Cb 0.41 1.03 0.54 0.00 -2.10 0.00 0.00 70.33 70.20 2ipa n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ipa n SER 16 N -0.34 0.00 -4.01 3.42 7.64 -0.44 -2.63 113.62 117.27 2ipa n SER 16 Ca 0.01 -0.09 -0.08 0.00 1.01 0.00 0.00 58.87 59.71 2ipa n SER 16 Cb 0.04 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 2ipa n SER 16 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ipa s GLU 17 N -2.50 0.52 2.36 1.43 2.02 -1.26 -3.36 118.70 117.91 2ipa s GLU 17 Ca 0.21 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2ipa s GLU 17 Cb 0.14 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2ipa s GLU 17 CO 0.31 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.89 2ipa n GLY 18 N 0.72 -0.30 3.49 -1.39 0.00 -1.26 -4.57 105.19 101.87 2ipa n GLY 18 Ca -0.18 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 2ipa n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipa s VAL 19 N 0.00 3.67 0.01 1.61 1.01 -1.26 -0.77 120.40 124.66 2ipa s VAL 19 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2ipa s VAL 19 Cb 0.00 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 2ipa s VAL 19 CO 0.00 0.52 0.09 0.54 0.00 0.00 0.00 175.10 176.25 2ipa s VAL 20 N 0.10 0.09 -0.32 2.92 0.11 -0.54 -3.03 120.40 119.73 2ipa s VAL 20 Ca -0.02 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2ipa s VAL 20 Cb -0.14 -0.38 0.10 0.00 -1.53 0.00 0.00 36.38 34.43 2ipa s VAL 20 CO 0.03 -0.41 0.06 -0.22 -3.33 0.00 0.00 175.10 171.23 2ipa s LEU 21 N -1.39 3.63 0.33 2.54 0.20 -0.34 -0.91 118.68 122.73 2ipa s LEU 21 Ca -0.15 -1.88 -0.18 0.00 0.69 0.00 0.00 54.13 52.61 2ipa s LEU 21 Cb -0.08 -1.30 -0.09 0.00 -0.43 0.00 0.00 46.19 44.28 2ipa s LEU 21 CO 0.01 -0.38 0.79 0.00 -0.29 0.00 0.00 176.35 176.48 2ipa s ALA 22 N 1.21 3.27 0.01 5.97 0.00 0.14 -1.61 121.76 130.75 2ipa s ALA 22 Ca 0.09 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 2ipa s ALA 22 Cb -0.18 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2ipa s ALA 22 CO -0.14 0.28 0.06 0.34 0.00 0.00 0.00 175.76 176.29 2ipa s ASP 23 N -2.11 0.13 -0.16 0.00 2.15 -0.39 -0.95 116.67 115.35 2ipa s ASP 23 Ca 0.54 -0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.17 2ipa s ASP 23 Cb -0.12 0.15 0.04 0.00 -0.30 0.00 0.00 42.92 42.70 2ipa s ASP 23 CO 0.17 -0.33 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.44 2ipa s PHE 24 N -1.38 1.55 0.05 -5.34 0.40 0.94 -0.53 117.98 113.67 2ipa s PHE 24 Ca -0.15 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.22 2ipa s PHE 24 Cb -0.09 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 2ipa s PHE 24 CO 0.00 -0.59 -0.06 1.67 0.70 0.00 0.00 175.22 176.95 2ipa s TRP 25 N 1.68 0.61 -0.13 0.36 1.48 -0.75 -2.61 118.94 119.58 2ipa s TRP 25 Ca 0.01 -0.72 -0.34 0.00 -1.06 0.00 0.00 56.10 54.00 2ipa s TRP 25 Cb -0.15 -0.38 0.13 0.00 -1.16 0.00 0.00 33.47 31.91 2ipa s TRP 25 CO -0.08 -0.18 1.19 0.00 -4.06 0.00 0.00 176.95 173.83 2ipa s ALA 26 N -2.43 -2.07 0.54 2.67 0.00 -1.26 -0.77 121.76 118.43 2ipa s ALA 26 Ca -0.03 1.35 0.28 0.00 0.00 0.00 0.00 51.96 53.57 2ipa s ALA 26 Cb -0.03 0.03 1.55 0.00 0.00 0.00 0.00 23.12 24.67 2ipa s ALA 26 CO -0.03 -0.70 1.86 -1.35 0.00 0.00 0.00 175.76 175.53 2ipa h PRO 27 N 2.00 0.00 -0.84 0.00 0.11 -1.96 -3.19 132.00 128.12 2ipa h PRO 27 Ca -0.14 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.16 2ipa h PRO 27 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2ipa h PRO 27 CO 0.24 0.00 0.57 -1.49 -0.21 0.00 0.00 178.00 177.11 2ipa h TRP 28 N 0.00 0.43 -3.56 0.65 4.06 -1.96 -3.44 115.95 112.13 2ipa h TRP 28 Ca 0.00 0.01 -0.32 0.00 2.06 0.00 0.00 58.89 60.65 2ipa h TRP 28 Cb 0.57 -0.13 -0.15 0.00 -1.00 0.00 0.00 29.16 28.46 2ipa h TRP 28 CO 0.00 0.13 -0.68 0.00 -3.56 0.00 0.00 178.44 174.33 2ipa h GLY 30 N 2.68 0.14 0.38 0.00 0.00 -1.90 -3.25 103.07 101.12 2ipa h GLY 30 Ca -0.37 -0.11 0.20 0.00 0.00 0.00 0.00 47.33 47.05 2ipa h GLY 30 CO 0.64 0.10 0.62 -2.55 0.00 0.00 0.00 176.54 175.34 2ipa h PRO 31 N -0.20 0.00 -0.11 4.80 0.11 -1.95 0.10 132.00 134.75 2ipa h PRO 31 Ca 0.02 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.16 2ipa h PRO 31 Cb 0.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2ipa h PRO 31 CO 0.01 0.00 0.17 0.77 -0.21 0.00 0.00 178.00 178.73 2ipa h SER 32 N 0.00 0.00 -0.39 -2.05 0.02 -1.83 0.26 113.55 109.56 2ipa h SER 32 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2ipa h SER 32 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2ipa h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2ipa n LYS 33 N -3.55 2.98 0.00 3.45 4.01 0.02 -3.77 118.16 121.30 2ipa n LYS 33 Ca -0.00 -2.37 0.00 0.00 -0.51 0.00 0.00 58.31 55.43 2ipa n LYS 33 Cb 0.26 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 2ipa n LYS 33 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2ipa n MET 34 N 0.45 0.00 0.01 1.97 2.81 -0.18 -4.52 117.12 117.65 2ipa n MET 34 Ca 0.16 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2ipa n MET 34 Cb 0.60 -0.73 0.30 0.00 -0.71 0.00 0.00 33.22 32.67 2ipa n MET 34 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2ipa h ILE 35 N 0.00 1.20 0.54 2.02 6.09 -0.82 -2.50 117.51 124.04 2ipa h ILE 35 Ca 0.00 -0.84 -0.02 0.00 -1.37 0.00 0.00 64.86 62.64 2ipa h ILE 35 Cb 0.86 1.02 -0.02 0.00 0.47 0.00 0.00 36.82 39.15 2ipa h ILE 35 CO 0.00 0.28 -0.49 0.00 -3.07 0.00 0.00 178.15 174.87 2ipa h ALA 36 N 1.49 -1.12 -0.91 0.18 0.00 -1.72 -0.06 119.26 117.13 2ipa h ALA 36 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ipa h ALA 36 Cb 0.37 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2ipa h ALA 36 CO 0.02 -1.17 0.59 -1.00 0.00 0.00 0.00 179.25 177.69 2ipa h PRO 37 N -1.01 1.14 -1.00 0.00 0.13 -1.79 -2.07 132.00 127.40 2ipa h PRO 37 Ca -0.07 -0.07 0.10 0.00 -0.87 0.00 0.00 66.00 65.10 2ipa h PRO 37 Cb 0.87 -0.26 -0.08 0.00 0.13 0.00 0.00 31.00 31.67 2ipa h PRO 37 CO -0.04 0.75 0.63 0.28 -0.23 0.00 0.00 178.00 179.40 2ipa h VAL 38 N 1.17 0.97 -0.13 1.56 2.07 -1.16 0.33 116.25 121.05 2ipa h VAL 38 Ca 0.35 -0.36 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2ipa h VAL 38 Cb -0.04 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.58 2ipa h VAL 38 CO -0.11 0.19 -0.72 -0.07 0.02 0.00 0.00 177.57 176.88 2ipa h LEU 39 N 1.04 0.87 -1.15 2.57 3.38 -0.34 -0.66 115.31 121.02 2ipa h LEU 39 Ca 0.47 -0.64 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2ipa h LEU 39 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ipa h LEU 39 CO -0.24 1.37 -0.07 -0.33 0.09 0.00 0.00 178.44 179.26 2ipa h GLU 40 N 0.43 0.51 0.00 1.13 5.08 -0.92 0.45 114.58 121.27 2ipa h GLU 40 Ca -0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2ipa h GLU 40 Cb 1.36 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2ipa h GLU 40 CO 0.15 0.59 -0.07 0.93 -1.00 0.00 0.00 179.01 179.61 2ipa h GLU 41 N 0.48 0.00 0.18 2.33 4.39 -0.81 -2.79 114.58 118.36 2ipa h GLU 41 Ca 0.10 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.51 2ipa h GLU 41 Cb 0.42 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2ipa h GLU 41 CO 0.02 0.07 -1.37 1.25 -1.16 0.00 0.00 179.01 177.82 2ipa h LEU 42 N 0.00 0.58 -0.79 1.33 5.85 0.29 -3.33 115.31 119.25 2ipa h LEU 42 Ca -0.00 -0.92 -0.09 0.00 0.84 0.00 0.00 57.88 57.71 2ipa h LEU 42 Cb 0.57 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2ipa h LEU 42 CO 0.01 1.63 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.87 2ipa h ASP 43 N -0.11 0.81 0.30 1.25 3.58 -0.91 -0.35 116.42 120.99 2ipa h ASP 43 Ca -0.26 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2ipa h ASP 43 Cb 1.92 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.75 2ipa h ASP 43 CO 0.17 0.93 0.00 0.00 -2.88 0.00 0.00 179.24 177.46 2ipa n GLN 44 N -4.17 0.31 -0.08 0.28 10.64 -1.06 -0.67 117.38 122.64 2ipa n GLN 44 Ca 0.02 0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 2ipa n GLN 44 Cb 0.36 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.17 2ipa n GLN 44 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2ipa n GLU 45 N -1.24 0.39 -0.28 2.61 4.07 -0.38 -4.83 120.64 120.98 2ipa n GLU 45 Ca 0.10 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 2ipa n GLU 45 Cb 0.14 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ipa n MET 46 N -3.22 0.00 0.00 5.31 0.00 -0.28 -4.83 117.12 114.09 2ipa n MET 46 Ca -0.30 -0.75 0.05 0.00 0.00 0.00 0.00 57.70 56.69 2ipa n MET 46 Cb 0.78 -0.48 0.25 0.00 0.00 0.00 0.00 33.22 33.77 2ipa n MET 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ipa n GLY 47 N 0.00 -0.40 0.25 3.17 0.00 0.16 -1.08 105.19 107.29 2ipa n GLY 47 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2ipa n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ipa h ASP 48 N 0.00 0.00 0.00 1.61 3.58 -1.88 0.13 116.42 119.86 2ipa h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ipa h ASP 48 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ipa h ASP 48 CO 0.00 0.16 -0.16 0.29 -2.88 0.00 0.00 179.24 176.65 2ipa n LYS 49 N -3.48 5.43 -3.99 0.28 4.01 -0.24 -4.97 118.16 115.20 2ipa n LYS 49 Ca -0.01 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.69 2ipa n LYS 49 Cb 0.32 -0.55 -0.11 0.00 -0.51 0.00 0.00 35.03 34.18 2ipa n LYS 49 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ipa s LEU 50 N -2.00 2.23 0.07 -0.35 1.98 -1.10 -4.63 118.68 114.88 2ipa s LEU 50 Ca 0.00 -0.48 0.07 0.00 -2.89 0.00 0.00 54.13 50.82 2ipa s LEU 50 Cb 0.00 0.06 -0.04 0.00 0.66 0.00 0.00 46.19 46.87 2ipa s LEU 50 CO 0.00 -0.27 -0.13 -0.75 -1.89 0.00 0.00 176.35 173.31 2ipa s LYS 51 N -1.41 2.13 0.03 1.98 2.20 -1.17 -0.58 119.74 122.93 2ipa s LYS 51 Ca -0.14 -0.99 0.09 0.00 -0.36 0.00 0.00 55.97 54.57 2ipa s LYS 51 Cb -0.10 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2ipa s LYS 51 CO -0.01 0.53 -0.25 0.42 -0.36 0.00 0.00 175.35 175.68 2ipa s ILE 52 N -1.09 2.22 -0.19 5.43 1.01 -1.14 -1.20 121.20 126.24 2ipa s ILE 52 Ca 0.18 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 2ipa s ILE 52 Cb -0.11 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.57 2ipa s ILE 52 CO 0.10 0.40 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 2ipa s VAL 53 N -0.79 0.20 0.39 2.92 1.01 -0.63 -0.77 120.40 122.73 2ipa s VAL 53 Ca 0.12 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 2ipa s VAL 53 Cb -0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 2ipa s VAL 53 CO 0.02 -0.28 0.82 -0.54 0.00 0.00 0.00 175.10 175.12 2ipa s LYS 54 N 2.00 3.98 -0.18 2.72 1.02 0.28 -1.26 119.74 128.31 2ipa s LYS 54 Ca 0.01 0.74 0.01 0.00 0.02 0.00 0.00 55.97 56.75 2ipa s LYS 54 Cb -0.17 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2ipa s LYS 54 CO -0.10 0.02 -0.18 0.42 -0.92 0.00 0.00 175.35 174.58 2ipa s ILE 55 N -2.20 2.23 -0.54 2.17 -1.09 0.31 -0.72 121.20 121.34 2ipa s ILE 55 Ca 0.56 -0.89 -0.28 0.00 -2.23 0.00 0.00 60.65 57.80 2ipa s ILE 55 Cb -0.10 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 38.86 2ipa s ILE 55 CO 0.22 0.53 1.39 -0.62 -1.23 0.00 0.00 174.94 175.22 2ipa s ASP 56 N 1.23 6.20 0.00 3.58 -1.08 -1.26 -1.80 116.67 123.54 2ipa s ASP 56 Ca 0.03 0.34 -0.05 0.00 -0.52 0.00 0.00 52.55 52.35 2ipa s ASP 56 Cb -0.14 -2.55 -0.24 0.00 -1.46 0.00 0.00 42.92 38.54 2ipa s ASP 56 CO -0.10 -1.64 3.31 1.33 0.52 0.00 0.00 175.17 178.58 2ipa n VAL 57 N 6.87 2.72 0.00 1.11 0.24 0.05 -0.55 118.33 128.77 2ipa n VAL 57 Ca 0.13 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 2ipa n VAL 57 Cb 0.49 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 2ipa n VAL 57 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ipa n ASP 58 N 2.49 0.00 0.04 -1.34 2.03 -1.26 -4.77 116.55 113.73 2ipa n ASP 58 Ca 0.38 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.55 2ipa n ASP 58 Cb 0.83 0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 41.14 2ipa n ASP 58 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2ipa h GLU 59 N 0.00 0.16 0.00 -0.67 4.81 -1.94 -3.40 114.58 113.53 2ipa h GLU 59 Ca 0.00 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2ipa h GLU 59 Cb 0.00 0.10 -0.22 0.00 0.63 0.00 0.00 28.75 29.26 2ipa h GLU 59 CO 0.00 0.96 -0.77 0.09 -0.73 0.00 0.00 179.01 178.55 2ipa n ASN 60 N -3.34 1.11 0.00 1.04 3.02 0.29 -4.89 115.26 112.49 2ipa n ASN 60 Ca -0.16 -2.52 0.09 0.00 -0.03 0.00 0.00 54.58 51.96 2ipa n ASN 60 Cb 1.03 -0.35 0.46 0.00 -0.61 0.00 0.00 39.78 40.31 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ipa n GLN 61 N -0.07 0.26 -0.14 3.52 10.64 -0.99 -3.81 117.38 126.78 2ipa n GLN 61 Ca 0.09 0.11 -0.03 0.00 -1.83 0.00 0.00 57.00 55.34 2ipa n GLN 61 Cb 0.95 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 28.88 2ipa n GLN 61 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2ipa h GLU 62 N 0.00 0.16 -0.88 2.61 3.07 -1.90 -0.44 114.58 117.21 2ipa h GLU 62 Ca 0.00 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 2ipa h GLU 62 Cb 0.17 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 27.98 2ipa h GLU 62 CO 0.00 0.11 0.54 1.15 -1.40 0.00 0.00 179.01 179.40 2ipa h THR 63 N 0.17 0.99 0.36 1.13 2.02 -1.83 -0.83 112.91 114.92 2ipa h THR 63 Ca 0.23 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2ipa h THR 63 Cb 0.32 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ipa h THR 63 CO -0.34 0.17 -0.17 0.00 0.37 0.00 0.00 175.52 175.55 2ipa h ALA 64 N 1.44 -0.78 -0.89 6.16 0.00 -1.37 -0.51 119.26 123.30 2ipa h ALA 64 Ca 0.40 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.45 2ipa h ALA 64 Cb 0.26 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 2ipa h ALA 64 CO -0.21 -0.75 0.29 0.78 0.00 0.00 0.00 179.25 179.36 2ipa h GLY 65 N -0.67 1.46 0.96 0.00 0.00 -1.02 -0.76 103.07 103.04 2ipa h GLY 65 Ca -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2ipa h GLY 65 CO 0.08 -0.37 0.18 1.70 0.00 0.00 0.00 176.54 178.13 2ipa h LYS 66 N 0.24 0.65 0.00 4.80 3.64 -1.04 -2.88 116.57 121.98 2ipa h LYS 66 Ca 0.57 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 2ipa h LYS 66 Cb 1.17 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2ipa h LYS 66 CO -0.64 0.59 -0.09 1.88 -2.27 0.00 0.00 179.45 178.92 2ipa h TYR 67 N 0.57 0.00 -0.75 1.91 -1.99 0.28 -3.47 116.97 113.52 2ipa h TYR 67 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 2ipa h TYR 67 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2ipa h TYR 67 CO -0.00 0.09 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 2ipa n GLY 68 N 0.41 0.74 2.99 3.88 0.00 -0.50 -5.09 105.19 107.61 2ipa n GLY 68 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2ipa n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipa s VAL 69 N -2.25 -0.05 0.00 1.61 1.01 -0.68 -4.99 120.40 115.05 2ipa s VAL 69 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2ipa s VAL 69 Cb 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.13 2ipa s VAL 69 CO 0.00 0.07 0.84 1.15 0.00 0.00 0.00 175.10 177.16 2ipa n MET 70 N 4.25 0.00 -4.19 2.72 0.00 -1.26 -2.57 117.12 116.07 2ipa n MET 70 Ca -0.26 -0.78 -0.11 0.00 0.00 0.00 0.00 57.70 56.55 2ipa n MET 70 Cb 0.52 -0.08 -0.10 0.00 0.00 0.00 0.00 33.22 33.56 2ipa n MET 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2ipa s SER 71 N -0.78 1.12 -0.03 3.17 1.04 -1.26 -5.13 113.70 111.83 2ipa s SER 71 Ca 0.05 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.46 2ipa s SER 71 Cb 0.06 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 2ipa s SER 71 CO -0.02 -0.51 -0.16 -0.63 0.98 0.00 0.00 173.24 172.90 2ipa s ILE 72 N -3.65 1.32 0.28 -1.02 -1.09 -1.26 -3.75 121.20 112.02 2ipa s ILE 72 Ca 0.16 -0.67 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 2ipa s ILE 72 Cb 0.06 -1.12 -0.09 0.00 -1.58 0.00 0.00 42.46 39.72 2ipa s ILE 72 CO -0.02 0.38 0.77 -2.16 -1.23 0.00 0.00 174.94 172.68 2ipa s PRO 73 N -0.09 4.22 0.14 2.79 0.04 -1.26 -4.81 135.00 136.03 2ipa s PRO 73 Ca -0.00 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.02 2ipa s PRO 73 Cb -0.09 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2ipa s PRO 73 CO 0.01 0.28 -0.17 0.99 0.04 0.00 0.00 177.00 178.14 2ipa s THR 74 N -1.72 2.82 -0.15 1.26 2.01 -1.07 -1.11 115.64 117.68 2ipa s THR 74 Ca 0.49 -1.64 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 2ipa s THR 74 Cb -0.14 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.10 2ipa s THR 74 CO 0.20 0.01 0.32 -0.22 -0.69 0.00 0.00 174.62 174.24 2ipa s LEU 75 N -2.39 -0.20 -0.28 4.42 0.20 0.02 -0.04 118.68 120.41 2ipa s LEU 75 Ca 0.20 0.72 0.02 0.00 0.69 0.00 0.00 54.13 55.77 2ipa s LEU 75 Cb -0.10 0.97 0.08 0.00 -0.43 0.00 0.00 46.19 46.71 2ipa s LEU 75 CO 0.11 -0.22 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.17 2ipa s LEU 76 N 2.06 3.57 -0.03 -0.68 1.43 -0.12 -0.93 118.68 123.98 2ipa s LEU 76 Ca -0.03 -1.61 -0.23 0.00 -1.03 0.00 0.00 54.13 51.23 2ipa s LEU 76 Cb -0.11 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2ipa s LEU 76 CO -0.10 -0.28 0.70 -0.69 0.23 0.00 0.00 176.35 176.21 2ipa s VAL 77 N 1.15 4.95 0.15 -1.59 1.01 0.14 -0.68 120.40 125.52 2ipa s VAL 77 Ca -0.01 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.48 2ipa s VAL 77 Cb -0.19 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2ipa s VAL 77 CO -0.08 0.31 -0.12 -0.76 0.00 0.00 0.00 175.10 174.45 2ipa s LEU 78 N 0.42 2.50 -0.06 3.92 1.02 -0.09 -1.17 118.68 125.22 2ipa s LEU 78 Ca 0.37 -0.95 -0.05 0.00 0.02 0.00 0.00 54.13 53.51 2ipa s LEU 78 Cb -0.18 -0.48 0.02 0.00 0.02 0.00 0.00 46.19 45.57 2ipa s LEU 78 CO 0.19 -0.24 0.15 -1.59 0.02 0.00 0.00 176.35 174.89 2ipa s LYS 79 N -3.39 0.18 -0.46 1.70 -2.85 -0.15 -1.47 119.74 113.29 2ipa s LYS 79 Ca 0.15 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 2ipa s LYS 79 Cb -0.00 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2ipa s LYS 79 CO 0.03 -0.03 0.00 -3.47 0.10 0.00 0.00 175.35 171.98 2ipa n ASP 80 N 3.04 -2.08 0.00 0.03 2.03 0.05 -1.83 116.55 117.78 2ipa n ASP 80 Ca -0.13 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2ipa n ASP 80 Cb 0.59 -1.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 2ipa n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ipa n GLY 81 N -0.54 0.99 3.06 0.27 0.00 -1.08 -4.67 105.19 103.22 2ipa n GLY 81 Ca -0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2ipa n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ipa s GLU 82 N -0.95 0.66 0.26 1.61 -1.05 -0.76 -4.89 118.70 113.58 2ipa s GLU 82 Ca 0.00 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.95 2ipa s GLU 82 Cb 0.00 -0.58 -0.09 0.00 -0.44 0.00 0.00 34.13 33.02 2ipa s GLU 82 CO 0.00 0.14 1.28 0.08 0.95 0.00 0.00 175.26 177.71 2ipa s VAL 83 N -0.78 3.05 0.00 1.83 1.01 -1.26 -0.98 120.40 123.27 2ipa s VAL 83 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2ipa s VAL 83 Cb -0.07 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2ipa s VAL 83 CO 0.00 0.19 0.00 1.33 0.00 0.00 0.00 175.10 176.62 2ipa n VAL 84 N 1.72 0.00 -3.92 2.92 0.24 -0.31 -4.91 118.33 114.06 2ipa n VAL 84 Ca 0.03 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 2ipa n VAL 84 Cb 0.43 0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 33.01 2ipa n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ipa s GLU 85 N -0.97 0.75 -0.04 7.34 0.41 -1.05 -5.02 118.70 120.10 2ipa s GLU 85 Ca 0.00 -0.99 -0.16 0.00 -0.41 0.00 0.00 54.97 53.41 2ipa s GLU 85 Cb 0.00 0.29 0.03 0.00 -1.78 0.00 0.00 34.13 32.67 2ipa s GLU 85 CO 0.00 -0.21 0.35 0.99 -0.49 0.00 0.00 175.26 175.90 2ipa s THR 86 N -3.68 0.04 -0.06 3.63 2.01 -1.26 -0.68 115.64 115.65 2ipa s THR 86 Ca 0.04 -0.34 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 2ipa s THR 86 Cb 0.05 -0.63 0.04 0.00 0.01 0.00 0.00 72.50 71.97 2ipa s THR 86 CO -0.10 -0.19 0.43 -0.44 -0.69 0.00 0.00 174.62 173.63 2ipa s SER 87 N -1.00 -0.36 -0.45 3.53 0.01 -0.11 -5.00 113.70 110.31 2ipa s SER 87 Ca -0.11 0.43 0.09 0.00 1.31 0.00 0.00 55.95 57.66 2ipa s SER 87 Cb -0.04 0.51 0.30 0.00 0.21 0.00 0.00 66.02 67.00 2ipa s SER 87 CO 0.04 -0.41 0.70 0.52 0.41 0.00 0.00 173.24 174.49 2ipa n VAL 88 N 1.57 0.58 0.00 3.43 0.31 -1.26 -0.80 118.33 122.16 2ipa n VAL 88 Ca -0.19 -4.65 0.00 0.00 -0.01 0.00 0.00 64.34 59.49 2ipa n VAL 88 Cb 0.56 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 2ipa n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ipa n GLY 89 N 0.67 2.73 3.80 2.92 0.00 -0.27 -4.89 105.19 110.16 2ipa n GLY 89 Ca 0.25 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipa s PHE 90 N -2.00 2.69 -0.12 1.61 -0.12 -1.26 -4.78 117.98 114.00 2ipa s PHE 90 Ca 0.00 0.96 -0.13 0.00 -0.05 0.00 0.00 56.93 57.71 2ipa s PHE 90 Cb 0.00 -3.29 0.03 0.00 -0.63 0.00 0.00 43.02 39.14 2ipa s PHE 90 CO 0.00 -2.06 0.37 0.15 -0.05 0.00 0.00 175.22 173.63 2ipa s LYS 91 N -5.26 0.47 0.91 1.99 1.02 -1.26 -5.11 119.74 112.51 2ipa s LYS 91 Ca 0.62 0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.91 2ipa s LYS 91 Cb -0.14 0.23 0.14 0.00 -0.52 0.00 0.00 37.83 37.53 2ipa s LYS 91 CO 0.53 -0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.73 2ipa s PRO 92 N -0.04 1.11 0.23 -1.68 0.04 -1.26 -4.68 135.00 128.71 2ipa s PRO 92 Ca -0.02 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 2ipa s PRO 92 Cb -0.03 -1.80 0.34 0.00 0.04 0.00 0.00 34.50 33.05 2ipa s PRO 92 CO 0.01 -2.33 1.63 -0.22 0.04 0.00 0.00 177.00 176.14 2ipa h LYS 93 N -1.61 0.06 -0.36 4.56 1.63 -1.97 0.12 116.57 119.00 2ipa h LYS 93 Ca -0.50 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.20 2ipa h LYS 93 Cb 1.29 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2ipa h LYS 93 CO 0.55 0.04 -0.15 0.93 -3.45 0.00 0.00 179.45 177.37 2ipa h GLU 94 N 0.06 0.73 0.00 1.90 5.08 -1.97 -0.89 114.58 119.49 2ipa h GLU 94 Ca 0.36 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2ipa h GLU 94 Cb 0.60 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ipa h GLU 94 CO -0.65 0.91 -0.42 0.00 -1.00 0.00 0.00 179.01 177.85 2ipa h ALA 95 N 0.80 1.31 0.19 3.43 0.00 -1.67 0.35 119.26 123.66 2ipa h ALA 95 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2ipa h ALA 95 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ipa h ALA 95 CO 0.05 0.52 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 2ipa h LEU 96 N 0.00 -0.22 -1.10 0.00 7.12 -0.47 0.22 115.31 120.86 2ipa h LEU 96 Ca -0.00 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.82 2ipa h LEU 96 Cb 0.74 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 2ipa h LEU 96 CO 0.05 0.01 0.11 0.06 -0.13 0.00 0.00 178.44 178.54 2ipa h GLN 97 N -0.44 0.75 -0.31 1.25 3.07 -0.91 -2.18 115.11 116.33 2ipa h GLN 97 Ca -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 2ipa h GLN 97 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 2ipa h GLN 97 CO 0.04 0.68 0.15 1.49 0.09 0.00 0.00 178.83 181.29 2ipa h GLU 98 N 0.72 0.44 -0.98 0.06 4.81 -0.81 0.14 114.58 118.96 2ipa h GLU 98 Ca 0.16 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2ipa h GLU 98 Cb 0.28 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 2ipa h GLU 98 CO -0.00 0.40 0.61 1.25 -0.73 0.00 0.00 179.01 180.54 2ipa h LEU 99 N 0.37 0.89 0.12 1.64 5.85 -0.31 -2.19 115.31 121.69 2ipa h LEU 99 Ca 0.11 0.05 -0.35 0.00 0.84 0.00 0.00 57.88 58.53 2ipa h LEU 99 Cb 0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2ipa h LEU 99 CO -0.01 0.47 -1.86 1.62 -0.34 0.00 0.00 178.44 178.32 2ipa h VAL 100 N 0.96 0.72 -0.57 1.05 3.04 -1.43 -3.39 116.25 116.63 2ipa h VAL 100 Ca 0.48 -2.35 0.09 0.00 -1.01 0.00 0.00 66.70 63.91 2ipa h VAL 100 Cb 0.47 2.53 -0.03 0.00 -2.01 0.00 0.00 31.29 32.25 2ipa h VAL 100 CO -0.27 0.83 0.38 -1.13 -1.01 0.00 0.00 177.57 176.38 2ipa h ASN 101 N -0.04 0.36 0.33 3.17 -1.24 -0.37 0.13 115.58 117.91 2ipa h ASN 101 Ca -0.40 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2ipa h ASN 101 Cb 1.96 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.94 2ipa h ASN 101 CO 0.07 0.22 0.00 2.29 -1.29 0.00 0.00 177.43 178.73 2ipa n LYS 102 N -4.47 0.18 0.00 6.67 2.85 -0.85 -3.24 118.16 119.29 2ipa n LYS 102 Ca 0.09 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 2ipa n LYS 102 Cb 0.34 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 2ipa n LYS 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2ipa n HIS 103 N -1.32 0.00 0.00 5.58 8.25 -0.11 -5.14 115.22 122.47 2ipa n HIS 103 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2ipa n HIS 103 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87