#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 -0.69 -0.67 3.17 0.00 -1.26 -5.01 121.76 117.30 2ipa s ALA 2 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 2ipa s ALA 2 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2ipa s ALA 2 CO 0.00 -0.78 1.14 0.42 0.00 0.00 0.00 175.76 176.54 2ipa s ILE 3 N -3.91 4.01 0.79 0.00 1.09 -1.26 -3.43 121.20 118.50 2ipa s ILE 3 Ca 0.12 0.24 -0.11 0.00 -1.10 0.00 0.00 60.65 59.80 2ipa s ILE 3 Cb -0.00 -4.78 0.07 0.00 -1.06 0.00 0.00 42.46 36.69 2ipa s ILE 3 CO -0.01 -1.58 1.16 -0.69 -0.10 0.00 0.00 174.94 173.71 2ipa s VAL 4 N 4.93 2.17 -0.03 2.92 1.01 0.22 -4.91 120.40 126.70 2ipa s VAL 4 Ca 0.32 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2ipa s VAL 4 Cb -0.11 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2ipa s VAL 4 CO 0.16 -0.06 -0.18 -1.59 0.00 0.00 0.00 175.10 173.42 2ipa s LYS 5 N -5.53 1.77 0.50 2.72 0.00 -1.26 -0.61 119.74 117.33 2ipa s LYS 5 Ca 0.61 -0.66 0.05 0.00 0.00 0.00 0.00 55.97 55.98 2ipa s LYS 5 Cb -0.11 -1.58 0.03 0.00 0.00 0.00 0.00 37.83 36.17 2ipa s LYS 5 CO 0.49 0.31 0.69 0.00 0.00 0.00 0.00 175.35 176.84 2ipa s ALA 6 N -0.14 4.29 0.01 0.59 0.00 0.17 -4.87 121.76 121.80 2ipa s ALA 6 Ca -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2ipa s ALA 6 Cb -0.10 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 2ipa s ALA 6 CO 0.01 -0.58 0.01 0.25 0.00 0.00 0.00 175.76 175.45 2ipa n THR 7 N -2.13 0.00 -0.41 0.00 -2.24 -1.26 -4.79 114.28 103.46 2ipa n THR 7 Ca 0.09 -0.06 0.40 0.00 -2.27 0.00 0.00 64.05 62.21 2ipa n THR 7 Cb 0.60 0.03 0.75 0.00 -2.10 0.00 0.00 70.33 69.60 2ipa n THR 7 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2ipa h ASP 8 N 0.05 0.00 0.00 3.42 3.58 -1.96 -2.86 116.42 118.65 2ipa h ASP 8 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ipa h ASP 8 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ipa h ASP 8 CO 0.01 0.00 -0.21 0.00 -2.88 0.00 0.00 179.24 176.17 2ipa n GLN 9 N -3.98 0.73 0.31 0.28 6.02 -1.26 -4.71 117.38 114.77 2ipa n GLN 9 Ca 0.30 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.48 2ipa n GLN 9 Cb 1.49 -0.60 0.97 0.00 1.02 0.00 0.00 30.24 33.11 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 0.11 1.08 0.02 -1.92 -1.94 113.55 110.89 2ipa h SER 10 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2ipa h SER 10 Cb 0.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 2ipa h SER 10 CO 0.00 0.02 -0.44 0.15 -1.14 0.00 0.00 176.83 175.42 2ipa h PHE 11 N 0.00 -1.26 -0.59 3.45 3.57 -1.81 -1.06 116.94 119.24 2ipa h PHE 11 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ipa h PHE 11 Cb 0.20 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2ipa h PHE 11 CO 0.00 -0.54 0.37 0.77 -2.23 0.00 0.00 178.31 176.68 2ipa h SER 12 N -0.67 0.71 -0.41 0.41 0.02 -1.65 -1.75 113.55 110.20 2ipa h SER 12 Ca 0.02 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2ipa h SER 12 Cb 0.70 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2ipa h SER 12 CO -0.26 0.55 0.19 0.00 -1.14 0.00 0.00 176.83 176.17 2ipa h ALA 13 N 1.19 1.48 0.00 3.77 0.00 -1.28 -1.34 119.26 123.08 2ipa h ALA 13 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ipa h ALA 13 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2ipa h ALA 13 CO -0.04 0.40 -0.33 0.93 0.00 0.00 0.00 179.25 180.21 2ipa h GLU 14 N 0.65 0.00 -0.00 0.00 4.39 -0.74 -3.38 114.58 115.49 2ipa h GLU 14 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2ipa h GLU 14 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2ipa h GLU 14 CO -0.02 0.00 -0.18 0.25 -1.16 0.00 0.00 179.01 177.90 2ipa n THR 15 N -2.33 0.00 1.06 1.13 -2.24 -0.70 -4.66 114.28 106.54 2ipa n THR 15 Ca 0.04 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2ipa n THR 15 Cb 0.45 1.04 0.56 0.00 -2.10 0.00 0.00 70.33 70.28 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 -0.71 0.00 -3.99 3.42 7.64 -0.59 -3.73 113.62 115.66 2ipa n SER 16 Ca 0.02 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 2ipa n SER 16 Cb 0.10 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.56 0.45 2.50 1.43 2.02 -1.26 -2.84 118.70 118.44 2ipa s GLU 17 Ca 0.21 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2ipa s GLU 17 Cb 0.15 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2ipa s GLU 17 CO 0.34 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.94 2ipa n GLY 18 N 1.05 -0.17 3.35 -1.39 0.00 -1.26 -4.62 105.19 102.15 2ipa n GLY 18 Ca -0.20 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 2.97 -0.07 1.61 1.01 -1.26 -0.73 120.40 123.93 2ipa s VAL 19 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2ipa s VAL 19 Cb 0.00 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2ipa s VAL 19 CO 0.00 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2ipa s VAL 20 N 0.40 0.20 -0.70 2.92 1.01 -0.05 -2.93 120.40 121.25 2ipa s VAL 20 Ca -0.11 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2ipa s VAL 20 Cb -0.16 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.88 2ipa s VAL 20 CO 0.05 0.20 0.97 -0.22 0.00 0.00 0.00 175.10 176.10 2ipa s LEU 21 N 2.04 4.55 0.41 3.92 2.96 -0.31 -0.85 118.68 131.40 2ipa s LEU 21 Ca 0.05 -1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 52.59 2ipa s LEU 21 Cb -0.12 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 44.06 2ipa s LEU 21 CO -0.05 -1.37 0.89 0.00 -1.32 0.00 0.00 176.35 174.51 2ipa s ALA 22 N 3.78 3.13 0.02 5.97 0.00 -0.19 -1.80 121.76 132.67 2ipa s ALA 22 Ca 0.23 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 2ipa s ALA 22 Cb -0.16 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2ipa s ALA 22 CO 0.07 0.12 -0.01 0.34 0.00 0.00 0.00 175.76 176.28 2ipa s ASP 23 N -2.38 0.24 -0.14 0.00 2.15 0.05 -1.45 116.67 115.14 2ipa s ASP 23 Ca 0.59 -0.51 -0.01 0.00 0.43 0.00 0.00 52.55 53.05 2ipa s ASP 23 Cb -0.09 0.12 0.04 0.00 -0.30 0.00 0.00 42.92 42.68 2ipa s ASP 23 CO 0.18 -0.33 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.47 2ipa s PHE 24 N -1.63 1.17 0.05 -5.34 0.40 0.13 -0.28 117.98 112.48 2ipa s PHE 24 Ca -0.14 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.50 2ipa s PHE 24 Cb -0.08 -1.07 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 2ipa s PHE 24 CO -0.01 -0.51 -0.07 1.67 0.70 0.00 0.00 175.22 176.99 2ipa s TRP 25 N 1.81 0.67 -0.02 0.36 1.48 -0.68 -2.62 118.94 119.94 2ipa s TRP 25 Ca 0.02 -0.63 -0.30 0.00 -1.06 0.00 0.00 56.10 54.13 2ipa s TRP 25 Cb -0.15 -0.40 0.10 0.00 -1.16 0.00 0.00 33.47 31.86 2ipa s TRP 25 CO -0.07 -0.13 1.02 0.00 -4.06 0.00 0.00 176.95 173.72 2ipa s ALA 26 N -2.06 -1.89 -0.46 2.67 0.00 -1.26 -1.02 121.76 117.74 2ipa s ALA 26 Ca -0.05 0.92 0.07 0.00 0.00 0.00 0.00 51.96 52.90 2ipa s ALA 26 Cb -0.05 0.34 0.35 0.00 0.00 0.00 0.00 23.12 23.76 2ipa s ALA 26 CO -0.02 -0.78 1.09 -2.30 0.00 0.00 0.00 175.76 173.75 2ipa n PRO 27 N -0.29 0.04 0.25 0.00 -0.02 -1.26 -2.85 135.00 130.88 2ipa n PRO 27 Ca -0.06 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.05 2ipa n PRO 27 Cb 0.61 -1.80 0.91 0.00 -0.02 0.00 0.00 33.50 33.20 2ipa n PRO 27 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2ipa h TRP 28 N 0.00 0.00 -3.51 6.00 4.06 -1.97 -3.45 115.95 117.09 2ipa h TRP 28 Ca 0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 2ipa h TRP 28 Cb 0.32 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.32 2ipa h TRP 28 CO 0.00 0.00 -0.33 0.00 -3.56 0.00 0.00 178.44 174.55 2ipa h GLY 30 N 3.25 0.39 -0.19 0.00 0.00 -1.89 -3.17 103.07 101.47 2ipa h GLY 30 Ca -0.32 -0.28 0.31 0.00 0.00 0.00 0.00 47.33 47.04 2ipa h GLY 30 CO 0.49 0.26 0.77 -2.55 0.00 0.00 0.00 176.54 175.51 2ipa h PRO 31 N 0.14 0.06 0.00 4.80 0.11 -1.95 0.80 132.00 135.96 2ipa h PRO 31 Ca 0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2ipa h PRO 31 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2ipa h PRO 31 CO 0.01 0.04 0.00 0.77 -0.21 0.00 0.00 178.00 178.61 2ipa h SER 32 N 0.06 0.00 -0.11 -2.05 0.02 -1.82 0.32 113.55 109.99 2ipa h SER 32 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2ipa h SER 32 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2ipa h SER 32 CO -0.05 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.93 2ipa n LYS 33 N -2.32 2.77 0.00 3.45 4.01 0.27 -4.13 118.16 122.20 2ipa n LYS 33 Ca -0.01 -1.63 0.00 0.00 -0.51 0.00 0.00 58.31 56.16 2ipa n LYS 33 Cb 0.05 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 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 -0.15 0.00 -0.14 1.97 2.81 -0.21 -4.51 117.12 116.89 2ipa n MET 34 Ca 0.04 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.93 2ipa n MET 34 Cb 0.30 -0.77 0.28 0.00 -0.71 0.00 0.00 33.22 32.32 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 1.18 0.52 2.02 6.09 -0.72 -2.44 117.51 124.17 2ipa h ILE 35 Ca 0.00 -0.43 -0.02 0.00 -1.37 0.00 0.00 64.86 63.04 2ipa h ILE 35 Cb 1.00 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 2ipa h ILE 35 CO 0.00 0.19 -0.42 0.00 -3.07 0.00 0.00 178.15 174.85 2ipa h ALA 36 N 1.54 -0.98 -0.93 0.18 0.00 -1.72 0.12 119.26 117.47 2ipa h ALA 36 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ipa h ALA 36 Cb 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2ipa h ALA 36 CO -0.04 -1.08 0.54 -1.00 0.00 0.00 0.00 179.25 177.67 2ipa h PRO 37 N -0.93 1.27 -0.55 0.00 0.13 -1.78 -2.38 132.00 127.76 2ipa h PRO 37 Ca -0.06 -0.13 0.08 0.00 -0.87 0.00 0.00 66.00 65.02 2ipa h PRO 37 Cb 0.79 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 2ipa h PRO 37 CO -0.01 0.90 0.37 0.28 -0.23 0.00 0.00 178.00 179.31 2ipa h VAL 38 N 1.28 0.94 -0.06 1.56 2.07 -0.97 0.11 116.25 121.19 2ipa h VAL 38 Ca 0.33 -0.15 -0.21 0.00 0.82 0.00 0.00 66.70 67.49 2ipa h VAL 38 Cb -0.03 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2ipa h VAL 38 CO -0.06 0.08 -0.78 -0.07 0.02 0.00 0.00 177.57 176.76 2ipa h LEU 39 N 0.44 0.79 -1.27 2.57 3.38 -0.27 -1.33 115.31 119.61 2ipa h LEU 39 Ca 0.25 -0.70 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 2ipa h LEU 39 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ipa h LEU 39 CO -0.07 1.37 -0.11 -0.33 0.09 0.00 0.00 178.44 179.39 2ipa h GLU 40 N 0.27 0.35 0.00 1.13 5.08 -0.93 0.55 114.58 121.04 2ipa h GLU 40 Ca -0.08 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2ipa h GLU 40 Cb 1.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2ipa h GLU 40 CO 0.16 0.48 -0.29 0.93 -1.00 0.00 0.00 179.01 179.28 2ipa h GLU 41 N 0.33 0.00 0.04 2.33 5.08 -0.75 -1.89 114.58 119.73 2ipa h GLU 41 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2ipa h GLU 41 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ipa h GLU 41 CO 0.02 0.29 -0.62 1.25 -1.00 0.00 0.00 179.01 178.95 2ipa h LEU 42 N 0.00 0.48 -0.58 1.33 5.85 -0.03 -3.31 115.31 119.06 2ipa h LEU 42 Ca -0.00 -0.82 -0.15 0.00 0.84 0.00 0.00 57.88 57.74 2ipa h LEU 42 Cb 0.72 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2ipa h LEU 42 CO 0.04 1.24 -0.57 -0.78 -0.34 0.00 0.00 178.44 178.03 2ipa h ASP 43 N -0.23 0.47 0.52 1.25 3.58 -0.84 -0.84 116.42 120.33 2ipa h ASP 43 Ca -0.09 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2ipa h ASP 43 Cb 1.38 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2ipa h ASP 43 CO 0.12 0.94 0.00 0.00 -2.88 0.00 0.00 179.24 177.42 2ipa n GLN 44 N -3.93 0.03 -0.13 0.28 10.64 -0.72 -0.30 117.38 123.25 2ipa n GLN 44 Ca -0.03 0.28 -0.21 0.00 -1.83 0.00 0.00 57.00 55.21 2ipa n GLN 44 Cb 0.61 -1.56 -0.11 0.00 -0.86 0.00 0.00 30.24 28.32 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 -1.61 0.63 -0.42 2.61 4.07 -0.57 -4.79 120.64 120.56 2ipa n GLU 45 Ca 0.03 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 2ipa n GLU 45 Cb 0.17 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 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 -3.54 0.00 0.00 5.31 0.00 -0.43 -4.83 117.12 113.64 2ipa n MET 46 Ca -0.48 -0.78 0.03 0.00 0.00 0.00 0.00 57.70 56.47 2ipa n MET 46 Cb 0.96 -0.42 0.18 0.00 0.00 0.00 0.00 33.22 33.94 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 -0.45 0.26 3.17 0.00 0.59 -1.16 105.19 107.60 2ipa n GLY 47 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.97 116.42 120.70 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 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ipa h ASP 48 CO 0.00 0.12 -0.16 0.29 -2.88 0.00 0.00 179.24 176.62 2ipa n LYS 49 N -3.47 5.24 -4.29 0.28 4.01 -0.31 -4.97 118.16 114.65 2ipa n LYS 49 Ca -0.01 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.58 2ipa n LYS 49 Cb 0.28 -0.53 -0.13 0.00 -0.51 0.00 0.00 35.03 34.14 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 -1.93 2.25 0.07 -0.35 2.96 -0.99 -4.68 118.68 116.01 2ipa s LEU 50 Ca 0.00 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2ipa s LEU 50 Cb 0.00 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2ipa s LEU 50 CO 0.00 0.01 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.15 2ipa s LYS 51 N -1.61 2.09 -0.00 1.98 2.20 -1.15 -0.56 119.74 122.69 2ipa s LYS 51 Ca 0.02 -1.00 0.06 0.00 -0.36 0.00 0.00 55.97 54.69 2ipa s LYS 51 Cb -0.09 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 2ipa s LYS 51 CO 0.03 0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 175.77 2ipa s ILE 52 N -1.07 1.53 -0.14 5.43 1.01 -1.22 -1.16 121.20 125.58 2ipa s ILE 52 Ca 0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 2ipa s ILE 52 Cb -0.11 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.12 2ipa s ILE 52 CO 0.09 0.38 0.07 -0.69 0.00 0.00 0.00 174.94 174.79 2ipa s VAL 53 N -0.53 0.02 0.40 2.92 1.01 -0.74 -0.61 120.40 122.87 2ipa s VAL 53 Ca 0.07 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 2ipa s VAL 53 Cb -0.08 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 2ipa s VAL 53 CO -0.00 -0.13 0.76 -0.54 0.00 0.00 0.00 175.10 175.19 2ipa s LYS 54 N 2.10 3.76 -0.12 2.72 1.02 0.22 -0.77 119.74 128.66 2ipa s LYS 54 Ca 0.03 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.45 2ipa s LYS 54 Cb -0.15 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2ipa s LYS 54 CO -0.07 -0.04 -0.13 0.42 -0.92 0.00 0.00 175.35 174.61 2ipa s ILE 55 N -2.38 1.44 -0.49 2.17 -1.09 0.62 -0.65 121.20 120.81 2ipa s ILE 55 Ca 0.51 -0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 2ipa s ILE 55 Cb -0.10 -1.35 0.02 0.00 -1.58 0.00 0.00 42.46 39.45 2ipa s ILE 55 CO 0.32 0.43 1.24 -0.62 -1.23 0.00 0.00 174.94 175.08 2ipa s ASP 56 N 1.29 6.48 0.00 3.58 -1.08 -1.26 -1.69 116.67 124.00 2ipa s ASP 56 Ca -0.00 0.45 -0.04 0.00 -0.52 0.00 0.00 52.55 52.43 2ipa s ASP 56 Cb -0.14 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.59 2ipa s ASP 56 CO -0.06 -1.39 3.03 1.33 0.52 0.00 0.00 175.17 178.60 2ipa n VAL 57 N 6.87 2.59 0.00 1.11 0.24 -0.19 -0.71 118.33 128.24 2ipa n VAL 57 Ca 0.12 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 2ipa n VAL 57 Cb 0.49 -1.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 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 2.22 0.00 0.06 -1.34 2.03 -1.26 -4.75 116.55 113.51 2ipa n ASP 58 Ca 0.29 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 2ipa n ASP 58 Cb 0.76 0.06 -0.14 0.00 -0.72 0.00 0.00 41.12 41.08 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 0.21 0.00 -0.67 4.81 -1.95 -3.39 114.58 113.59 2ipa h GLU 59 Ca 0.00 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.77 2ipa h GLU 59 Cb 0.00 0.13 -0.22 0.00 0.63 0.00 0.00 28.75 29.29 2ipa h GLU 59 CO 0.00 1.07 -0.78 0.09 -0.73 0.00 0.00 179.01 178.66 2ipa n ASN 60 N -3.42 1.07 0.00 1.04 3.02 0.11 -4.89 115.26 112.18 2ipa n ASN 60 Ca -0.13 -2.46 0.08 0.00 -0.03 0.00 0.00 54.58 52.03 2ipa n ASN 60 Cb 1.03 -0.34 0.40 0.00 -0.61 0.00 0.00 39.78 40.26 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 -0.04 0.14 -0.14 3.52 10.64 -1.02 -3.80 117.38 126.68 2ipa n GLN 61 Ca 0.08 0.16 -0.05 0.00 -1.83 0.00 0.00 57.00 55.37 2ipa n GLN 61 Cb 0.95 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 28.85 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 -0.12 -0.24 2.61 3.07 -1.90 -0.10 114.58 117.91 2ipa h GLU 62 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2ipa h GLU 62 Cb 0.22 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2ipa h GLU 62 CO 0.00 -0.08 0.09 1.15 -1.40 0.00 0.00 179.01 178.77 2ipa h THR 63 N -0.12 1.10 0.38 1.13 2.02 -1.84 -0.82 112.91 114.77 2ipa h THR 63 Ca 0.22 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2ipa h THR 63 Cb 0.46 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2ipa h THR 63 CO -0.53 0.12 -0.18 0.00 0.37 0.00 0.00 175.52 175.30 2ipa h ALA 64 N 1.77 -0.85 -0.88 6.16 0.00 -1.27 -0.45 119.26 123.73 2ipa h ALA 64 Ca 0.08 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.11 2ipa h ALA 64 Cb 0.09 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 17.92 2ipa h ALA 64 CO -0.01 -0.81 0.06 0.78 0.00 0.00 0.00 179.25 179.27 2ipa h GLY 65 N -0.66 1.11 1.01 0.00 0.00 -1.21 -1.10 103.07 102.22 2ipa h GLY 65 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2ipa h GLY 65 CO 0.09 -0.39 0.59 1.70 0.00 0.00 0.00 176.54 178.52 2ipa h LYS 66 N 0.09 1.23 -0.01 4.80 3.64 -0.98 -2.30 116.57 123.03 2ipa h LYS 66 Ca 0.52 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2ipa h LYS 66 Cb 1.00 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2ipa h LYS 66 CO -0.77 0.83 -0.00 0.66 -2.27 0.00 0.00 179.45 177.90 2ipa n TYR 67 N -4.42 0.00 -1.50 1.91 4.02 -0.19 -4.96 117.16 112.02 2ipa n TYR 67 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2ipa n TYR 67 Cb 0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 2ipa n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ipa n GLY 68 N 1.17 -0.15 3.05 2.72 0.00 -0.53 -5.07 105.19 106.39 2ipa n GLY 68 Ca 0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.00 -0.04 0.00 1.61 1.01 -0.63 -4.97 120.40 114.37 2ipa s VAL 69 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2ipa s VAL 69 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2ipa s VAL 69 CO 0.00 0.06 0.72 1.15 0.00 0.00 0.00 175.10 177.03 2ipa n MET 70 N 4.23 0.00 -4.40 2.72 0.00 -1.26 -2.62 117.12 115.80 2ipa n MET 70 Ca -0.25 -0.64 -0.19 0.00 0.00 0.00 0.00 57.70 56.61 2ipa n MET 70 Cb 0.53 -0.39 -0.10 0.00 0.00 0.00 0.00 33.22 33.26 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 -0.51 1.88 0.01 3.17 1.04 -1.26 -5.13 113.70 112.91 2ipa s SER 71 Ca 0.00 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.07 2ipa s SER 71 Cb 0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2ipa s SER 71 CO 0.00 -0.66 -0.08 -0.63 0.98 0.00 0.00 173.24 172.85 2ipa s ILE 72 N -3.49 0.57 0.43 -1.02 -1.09 -1.26 -4.34 121.20 111.00 2ipa s ILE 72 Ca 0.37 -0.58 -0.13 0.00 -2.23 0.00 0.00 60.65 58.08 2ipa s ILE 72 Cb 0.08 -0.54 -0.07 0.00 -1.58 0.00 0.00 42.46 40.36 2ipa s ILE 72 CO 0.15 -0.03 0.83 -2.16 -1.23 0.00 0.00 174.94 172.50 2ipa s PRO 73 N -0.67 3.85 0.06 2.79 0.04 -1.26 -4.77 135.00 135.04 2ipa s PRO 73 Ca -0.01 0.63 0.06 0.00 0.04 0.00 0.00 61.00 61.73 2ipa s PRO 73 Cb -0.05 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2ipa s PRO 73 CO 0.00 -0.09 -0.18 0.99 0.04 0.00 0.00 177.00 177.76 2ipa s THR 74 N -2.42 1.41 -0.03 1.26 2.01 -1.08 -1.21 115.64 115.59 2ipa s THR 74 Ca 0.54 -1.25 0.06 0.00 0.31 0.00 0.00 61.69 61.34 2ipa s THR 74 Cb -0.10 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 2ipa s THR 74 CO 0.30 -0.00 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.27 2ipa s LEU 75 N -1.46 2.00 -0.27 4.42 1.43 0.26 -0.69 118.68 124.37 2ipa s LEU 75 Ca 0.04 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2ipa s LEU 75 Cb -0.09 -1.07 0.07 0.00 0.03 0.00 0.00 46.19 45.13 2ipa s LEU 75 CO 0.02 0.22 -0.03 -0.76 0.23 0.00 0.00 176.35 176.03 2ipa s LEU 76 N -0.25 3.09 -0.46 1.79 1.43 -0.53 -1.66 118.68 122.09 2ipa s LEU 76 Ca 0.02 -1.44 -0.27 0.00 -1.03 0.00 0.00 54.13 51.41 2ipa s LEU 76 Cb -0.10 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.85 2ipa s LEU 76 CO 0.01 -0.27 1.04 -0.69 0.23 0.00 0.00 176.35 176.66 2ipa s VAL 77 N 1.28 4.34 0.06 -1.59 1.01 0.10 -1.03 120.40 124.57 2ipa s VAL 77 Ca -0.02 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.02 2ipa s VAL 77 Cb -0.19 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2ipa s VAL 77 CO -0.08 -0.90 0.05 -0.76 0.00 0.00 0.00 175.10 173.40 2ipa s LEU 78 N 4.09 3.68 -0.13 3.92 1.02 -0.03 -0.66 118.68 130.57 2ipa s LEU 78 Ca 0.43 -0.04 -0.06 0.00 0.02 0.00 0.00 54.13 54.48 2ipa s LEU 78 Cb -0.09 -2.31 0.06 0.00 0.02 0.00 0.00 46.19 43.87 2ipa s LEU 78 CO 0.29 0.20 0.28 -0.75 0.02 0.00 0.00 176.35 176.39 2ipa s LYS 79 N -2.17 0.21 -0.18 1.70 2.20 0.48 -0.87 119.74 121.11 2ipa s LYS 79 Ca 0.26 0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 56.54 2ipa s LYS 79 Cb -0.12 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 2ipa s LYS 79 CO 0.18 -0.22 0.03 -3.47 -0.36 0.00 0.00 175.35 171.52 2ipa n ASP 80 N 4.75 -1.33 0.00 1.43 2.03 0.09 -1.73 116.55 121.80 2ipa n ASP 80 Ca -0.16 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2ipa n ASP 80 Cb 0.52 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 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 -0.56 1.37 3.06 0.27 0.00 -1.13 -4.74 105.19 103.47 2ipa n GLY 81 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.53 0.24 1.61 -1.05 -0.70 -4.88 118.70 114.45 2ipa s GLU 82 Ca 0.00 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 2ipa s GLU 82 Cb 0.00 0.18 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2ipa s GLU 82 CO 0.00 -0.10 1.34 0.54 0.95 0.00 0.00 175.26 177.99 2ipa s VAL 83 N -3.15 2.97 0.00 1.83 0.11 -1.26 -0.39 120.40 120.51 2ipa s VAL 83 Ca -0.00 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2ipa s VAL 83 Cb 0.02 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2ipa s VAL 83 CO -0.07 0.14 0.00 1.33 -3.33 0.00 0.00 175.10 173.17 2ipa n VAL 84 N 2.17 0.00 -3.93 2.04 0.24 0.17 -4.90 118.33 114.12 2ipa n VAL 84 Ca 0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 2ipa n VAL 84 Cb 0.42 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 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 -1.64 1.07 -0.02 7.34 0.41 -1.06 -5.02 118.70 119.78 2ipa s GLU 85 Ca 0.00 -1.12 -0.14 0.00 -0.41 0.00 0.00 54.97 53.30 2ipa s GLU 85 Cb 0.00 0.37 0.02 0.00 -1.78 0.00 0.00 34.13 32.74 2ipa s GLU 85 CO 0.00 -0.38 0.30 0.99 -0.49 0.00 0.00 175.26 175.68 2ipa s THR 86 N -3.94 0.05 -0.14 3.63 2.01 -1.26 -0.73 115.64 115.26 2ipa s THR 86 Ca 0.14 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 2ipa s THR 86 Cb 0.04 -0.59 0.05 0.00 0.01 0.00 0.00 72.50 72.00 2ipa s THR 86 CO -0.03 -0.24 0.48 -0.44 -0.69 0.00 0.00 174.62 173.69 2ipa s SER 87 N -1.21 -0.47 -0.47 3.53 0.01 -0.66 -4.99 113.70 109.44 2ipa s SER 87 Ca -0.13 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.02 2ipa s SER 87 Cb -0.05 0.84 0.23 0.00 0.21 0.00 0.00 66.02 67.25 2ipa s SER 87 CO 0.04 -0.25 0.53 0.52 0.41 0.00 0.00 173.24 174.49 2ipa n VAL 88 N 2.41 -0.03 0.00 3.43 0.31 -1.26 -0.57 118.33 122.62 2ipa n VAL 88 Ca -0.15 -4.20 0.00 0.00 -0.01 0.00 0.00 64.34 59.98 2ipa n VAL 88 Cb 0.57 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 1.62 3.13 3.76 2.92 0.00 -0.35 -4.91 105.19 111.36 2ipa n GLY 89 Ca 0.24 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ipa s PHE 90 N -2.00 2.48 -0.00 1.61 5.36 -1.26 -4.75 117.98 119.41 2ipa s PHE 90 Ca 0.00 1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 2ipa s PHE 90 Cb 0.00 -3.53 -0.00 0.00 -0.34 0.00 0.00 43.02 39.15 2ipa s PHE 90 CO 0.00 -2.20 0.02 0.21 -1.46 0.00 0.00 175.22 171.79 2ipa s LYS 91 N -3.09 0.08 0.93 10.12 2.47 -1.26 -5.12 119.74 123.87 2ipa s LYS 91 Ca 0.73 -0.08 -0.12 0.00 -1.56 0.00 0.00 55.97 54.94 2ipa s LYS 91 Cb -0.32 0.03 0.15 0.00 -1.46 0.00 0.00 37.83 36.23 2ipa s LYS 91 CO 0.37 -0.01 1.10 -1.25 0.16 0.00 0.00 175.35 175.71 2ipa s PRO 92 N -0.25 0.99 0.25 4.03 0.04 -1.26 -4.69 135.00 134.10 2ipa s PRO 92 Ca -0.03 0.59 -0.07 0.00 0.04 0.00 0.00 61.00 61.53 2ipa s PRO 92 Cb -0.02 -1.80 0.44 0.00 0.04 0.00 0.00 34.50 33.16 2ipa s PRO 92 CO -0.00 -2.37 1.63 -0.22 0.04 0.00 0.00 177.00 176.08 2ipa h LYS 93 N -1.63 0.10 -0.33 4.56 1.63 -1.98 0.92 116.57 119.84 2ipa h LYS 93 Ca -0.51 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.17 2ipa h LYS 93 Cb 1.31 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2ipa h LYS 93 CO 0.57 0.06 -0.23 0.93 -3.45 0.00 0.00 179.45 177.34 2ipa h GLU 94 N 0.10 0.73 -0.13 1.90 5.08 -1.96 -0.84 114.58 119.46 2ipa h GLU 94 Ca 0.41 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2ipa h GLU 94 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2ipa h GLU 94 CO -0.67 0.97 -0.31 0.00 -1.00 0.00 0.00 179.01 177.99 2ipa h ALA 95 N 0.75 1.23 0.32 3.43 0.00 -1.70 -0.39 119.26 122.90 2ipa h ALA 95 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ipa h ALA 95 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ipa h ALA 95 CO 0.06 0.52 -0.24 1.25 0.00 0.00 0.00 179.25 180.84 2ipa h LEU 96 N 0.22 -0.63 -0.70 0.00 5.85 -0.53 -0.31 115.31 119.22 2ipa h LEU 96 Ca 0.03 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2ipa h LEU 96 Cb 0.67 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2ipa h LEU 96 CO 0.05 -0.37 0.01 0.06 -0.34 0.00 0.00 178.44 177.85 2ipa h GLN 97 N -0.56 1.02 -0.36 1.25 3.07 -0.84 -2.45 115.11 116.24 2ipa h GLN 97 Ca -0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 58.65 58.41 2ipa h GLN 97 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 27.93 2ipa h GLN 97 CO -0.01 0.99 0.22 1.49 0.09 0.00 0.00 178.83 181.62 2ipa h GLU 98 N 0.93 0.49 -0.92 0.06 4.81 -1.00 0.57 114.58 119.52 2ipa h GLU 98 Ca 0.17 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2ipa h GLU 98 Cb 0.53 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 2ipa h GLU 98 CO 0.03 0.35 0.59 1.25 -0.73 0.00 0.00 179.01 180.50 2ipa h LEU 99 N 0.48 0.95 0.12 1.64 5.85 -0.58 -1.13 115.31 122.65 2ipa h LEU 99 Ca 0.13 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.52 2ipa h LEU 99 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2ipa h LEU 99 CO -0.03 0.63 -1.74 1.62 -0.34 0.00 0.00 178.44 178.59 2ipa h VAL 100 N 1.10 0.92 -0.13 1.05 3.04 -1.43 -3.34 116.25 117.46 2ipa h VAL 100 Ca 0.38 -2.59 0.04 0.00 -1.01 0.00 0.00 66.70 63.53 2ipa h VAL 100 Cb 0.10 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.02 2ipa h VAL 100 CO -0.15 0.81 0.14 -1.13 -1.01 0.00 0.00 177.57 176.23 2ipa h ASN 101 N 0.07 0.00 -0.47 3.17 -1.24 -0.51 0.46 115.58 117.06 2ipa h ASN 101 Ca -0.32 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.82 2ipa h ASN 101 Cb 2.04 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.08 2ipa h ASN 101 CO 0.14 0.00 0.45 0.11 -1.29 0.00 0.00 177.43 176.84 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.34 -3.28 116.57 120.20 2ipa h LYS 102 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ipa h LYS 102 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2ipa h LYS 102 CO -0.00 0.00 -0.56 0.72 -0.57 0.00 0.00 179.45 179.04 2ipa n HIS 103 N -3.86 0.00 0.80 -1.35 8.25 -0.13 -5.15 115.22 113.79 2ipa n HIS 103 Ca 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 2ipa n HIS 103 Cb 0.64 0.00 0.38 0.00 1.12 0.00 0.00 29.99 32.13 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87