#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 -0.43 -0.75 3.04 0.00 -1.26 -5.01 121.76 117.35 2ipa s ALA 2 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 2ipa s ALA 2 Cb 0.00 0.95 0.05 0.00 0.00 0.00 0.00 23.12 24.12 2ipa s ALA 2 CO 0.00 -0.80 1.19 0.42 0.00 0.00 0.00 175.76 176.57 2ipa s ILE 3 N -3.96 3.99 0.82 0.00 1.09 -1.26 -3.32 121.20 118.56 2ipa s ILE 3 Ca 0.17 -0.06 -0.12 0.00 -1.10 0.00 0.00 60.65 59.54 2ipa s ILE 3 Cb -0.00 -4.85 0.08 0.00 -1.06 0.00 0.00 42.46 36.63 2ipa s ILE 3 CO 0.03 -1.72 1.15 -0.69 -0.10 0.00 0.00 174.94 173.61 2ipa s VAL 4 N 4.97 2.35 -0.13 2.92 1.01 -0.03 -4.91 120.40 126.58 2ipa s VAL 4 Ca 0.32 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.42 2ipa s VAL 4 Cb -0.10 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2ipa s VAL 4 CO 0.10 -0.15 -0.14 -0.75 0.00 0.00 0.00 175.10 174.16 2ipa s LYS 5 N -5.42 2.22 0.80 2.72 2.20 -1.26 -0.44 119.74 120.55 2ipa s LYS 5 Ca 0.62 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 55.58 2ipa s LYS 5 Cb -0.12 -1.99 0.10 0.00 -1.51 0.00 0.00 37.83 34.31 2ipa s LYS 5 CO 0.51 -0.17 1.14 0.00 -0.36 0.00 0.00 175.35 176.47 2ipa s ALA 6 N 1.31 2.80 0.00 3.13 0.00 0.39 -4.86 121.76 124.52 2ipa s ALA 6 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2ipa s ALA 6 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2ipa s ALA 6 CO -0.07 -1.67 0.00 0.25 0.00 0.00 0.00 175.76 174.27 2ipa n THR 7 N -3.24 0.00 -0.21 0.00 -2.24 -1.26 -4.74 114.28 102.58 2ipa n THR 7 Ca 0.10 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.19 2ipa n THR 7 Cb 0.61 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.00 0.00 0.00 3.42 3.58 -1.97 -3.11 116.42 118.34 2ipa h ASP 8 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ipa h ASP 8 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ipa h ASP 8 CO 0.00 0.00 -0.13 0.00 -2.88 0.00 0.00 179.24 176.23 2ipa n GLN 9 N -3.83 0.46 0.32 0.28 6.02 -1.26 -4.62 117.38 114.76 2ipa n GLN 9 Ca 0.21 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.42 2ipa n GLN 9 Cb 1.20 -0.56 1.09 0.00 1.02 0.00 0.00 30.24 32.98 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 -0.34 1.08 0.02 -1.92 -1.99 113.55 110.40 2ipa h SER 10 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2ipa h SER 10 Cb 0.13 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 2ipa h SER 10 CO 0.00 0.00 -0.38 0.15 -1.14 0.00 0.00 176.83 175.46 2ipa h PHE 11 N 0.00 -1.07 -0.41 3.45 3.57 -1.86 -0.14 116.94 120.49 2ipa h PHE 11 Ca -0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.13 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2ipa h PHE 11 CO 0.00 -0.42 0.12 0.77 -2.23 0.00 0.00 178.31 176.55 2ipa h SER 12 N -0.32 0.60 -0.50 0.41 0.02 -1.68 -2.39 113.55 109.69 2ipa h SER 12 Ca 0.14 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2ipa h SER 12 Cb 0.57 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2ipa h SER 12 CO -0.52 0.65 0.22 0.00 -1.14 0.00 0.00 176.83 176.05 2ipa h ALA 13 N 0.97 1.38 0.00 3.77 0.00 -1.43 -1.60 119.26 122.34 2ipa h ALA 13 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ipa h ALA 13 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ipa h ALA 13 CO -0.00 0.47 -0.15 0.39 0.00 0.00 0.00 179.25 179.96 2ipa n GLU 14 N -4.34 0.19 0.00 0.00 -0.58 -0.10 -4.09 120.64 111.71 2ipa n GLU 14 Ca 0.04 0.13 0.02 0.00 -0.42 0.00 0.00 57.16 56.93 2ipa n GLU 14 Cb 0.15 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.00 0.00 1.03 2.62 -2.24 -0.73 -4.68 114.28 108.28 2ipa n THR 15 Ca 0.05 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2ipa n THR 15 Cb 0.40 1.04 0.55 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.53 0.00 -3.91 3.42 7.64 -0.68 -3.64 113.62 115.92 2ipa n SER 16 Ca 0.02 0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 2ipa n SER 16 Cb 0.09 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 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 -2.61 0.29 0.72 1.43 2.02 -1.26 -2.85 118.70 116.45 2ipa s GLU 17 Ca 0.20 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2ipa s GLU 17 Cb 0.15 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2ipa s GLU 17 CO 0.34 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2ipa n GLY 18 N 1.97 -1.85 3.67 -1.39 0.00 -1.26 -4.63 105.19 101.70 2ipa n GLY 18 Ca -0.20 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.94 5.24 -0.09 1.61 1.01 -1.26 -0.77 120.40 125.21 2ipa s VAL 19 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 2ipa s VAL 19 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2ipa s VAL 19 CO 0.00 0.28 0.02 -0.69 0.00 0.00 0.00 175.10 174.71 2ipa s VAL 20 N 1.17 0.33 -0.33 2.92 1.01 0.04 -2.63 120.40 122.91 2ipa s VAL 20 Ca 0.17 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2ipa s VAL 20 Cb -0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 2ipa s VAL 20 CO 0.07 0.15 0.67 -0.22 0.00 0.00 0.00 175.10 175.77 2ipa s LEU 21 N 1.98 4.17 -0.14 3.92 0.20 -0.48 -0.49 118.68 127.84 2ipa s LEU 21 Ca 0.04 0.35 -0.09 0.00 0.69 0.00 0.00 54.13 55.12 2ipa s LEU 21 Cb -0.13 -2.86 -0.05 0.00 -0.43 0.00 0.00 46.19 42.72 2ipa s LEU 21 CO -0.06 -0.57 0.18 0.00 -0.29 0.00 0.00 176.35 175.62 2ipa s ALA 22 N 2.75 3.77 -0.02 5.97 0.00 0.29 -1.12 121.76 133.40 2ipa s ALA 22 Ca 0.27 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.69 2ipa s ALA 22 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 2ipa s ALA 22 CO 0.14 0.40 -0.18 0.34 0.00 0.00 0.00 175.76 176.46 2ipa s ASP 23 N -0.44 2.15 -0.30 0.00 2.15 -0.06 -1.29 116.67 118.89 2ipa s ASP 23 Ca 0.14 -0.34 0.03 0.00 0.43 0.00 0.00 52.55 52.82 2ipa s ASP 23 Cb -0.12 -0.34 0.08 0.00 -0.30 0.00 0.00 42.92 42.24 2ipa s ASP 23 CO 0.03 0.21 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.85 2ipa s PHE 24 N -0.30 3.51 0.08 -5.34 0.40 0.23 -1.18 117.98 115.38 2ipa s PHE 24 Ca 0.04 -2.65 0.08 0.00 -0.60 0.00 0.00 56.93 53.80 2ipa s PHE 24 Cb -0.08 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2ipa s PHE 24 CO 0.00 -0.91 -0.22 1.67 0.70 0.00 0.00 175.22 176.46 2ipa s TRP 25 N 1.01 1.92 0.02 0.36 1.48 -1.09 -2.63 118.94 120.00 2ipa s TRP 25 Ca 0.01 -0.40 -0.28 0.00 -1.06 0.00 0.00 56.10 54.37 2ipa s TRP 25 Cb -0.20 -1.09 0.10 0.00 -1.16 0.00 0.00 33.47 31.12 2ipa s TRP 25 CO -0.06 0.18 0.86 0.00 -4.06 0.00 0.00 176.95 173.87 2ipa s ALA 26 N -0.99 -1.79 -1.04 2.67 0.00 -1.26 -1.40 121.76 117.95 2ipa s ALA 26 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2ipa s ALA 26 Cb -0.10 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2ipa s ALA 26 CO 0.03 -0.72 0.80 -2.30 0.00 0.00 0.00 175.76 173.57 2ipa n PRO 27 N -0.27 0.00 0.03 0.00 -0.02 -1.26 -3.31 135.00 130.16 2ipa n PRO 27 Ca -0.09 0.32 0.20 0.00 -2.02 0.00 0.00 63.50 61.90 2ipa n PRO 27 Cb 0.62 -1.56 0.71 0.00 -0.02 0.00 0.00 33.50 33.24 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 -2.64 6.00 4.06 -1.96 -3.45 115.95 117.96 2ipa h TRP 28 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2ipa h TRP 28 Cb 0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.16 2ipa h TRP 28 CO 0.00 0.00 0.36 0.00 -3.56 0.00 0.00 178.44 175.24 2ipa h GLY 30 N 2.00 0.91 0.69 0.00 0.00 -1.90 -2.32 103.07 102.44 2ipa h GLY 30 Ca -0.27 0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.37 2ipa h GLY 30 CO 0.32 -0.33 0.48 -2.55 0.00 0.00 0.00 176.54 174.46 2ipa h PRO 31 N 0.09 0.07 0.00 4.80 0.11 -1.96 0.57 132.00 135.68 2ipa h PRO 31 Ca 0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2ipa h PRO 31 Cb 0.81 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2ipa h PRO 31 CO -0.72 0.05 0.00 0.77 -0.21 0.00 0.00 178.00 177.88 2ipa h SER 32 N 0.07 0.00 -0.14 -2.05 0.02 -1.67 0.38 113.55 110.16 2ipa h SER 32 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2ipa h SER 32 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2ipa h SER 32 CO -0.03 0.00 -0.05 2.29 -1.14 0.00 0.00 176.83 177.90 2ipa n LYS 33 N -2.78 1.99 0.00 3.45 0.00 0.18 -3.89 118.16 117.10 2ipa n LYS 33 Ca -0.02 -2.82 0.00 0.00 -0.00 0.00 0.00 58.31 55.48 2ipa n LYS 33 Cb 0.11 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 2ipa n LYS 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2ipa n MET 34 N -1.03 0.21 -0.13 -1.58 2.81 -0.44 -4.70 117.12 112.26 2ipa n MET 34 Ca 0.20 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 56.06 2ipa n MET 34 Cb 0.79 -0.72 0.19 0.00 -0.71 0.00 0.00 33.22 32.77 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 1.23 0.31 2.02 6.09 -0.56 -2.78 117.51 123.82 2ipa h ILE 35 Ca 0.00 -0.82 -0.01 0.00 -1.37 0.00 0.00 64.86 62.66 2ipa h ILE 35 Cb 0.44 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 2ipa h ILE 35 CO 0.00 0.31 -0.23 0.00 -3.07 0.00 0.00 178.15 175.16 2ipa h ALA 36 N 1.34 -0.53 -0.98 0.18 0.00 -1.72 0.12 119.26 117.67 2ipa h ALA 36 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2ipa h ALA 36 Cb 0.30 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2ipa h ALA 36 CO -0.00 -0.81 0.65 -1.00 0.00 0.00 0.00 179.25 178.08 2ipa h PRO 37 N -0.54 1.22 -0.93 0.00 0.13 -1.84 -1.94 132.00 128.11 2ipa h PRO 37 Ca -0.02 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.10 2ipa h PRO 37 Cb 0.46 -0.28 -0.06 0.00 0.13 0.00 0.00 31.00 31.26 2ipa h PRO 37 CO 0.00 0.81 0.60 0.28 -0.23 0.00 0.00 178.00 179.47 2ipa h VAL 38 N 1.26 1.06 -0.28 1.56 2.07 -1.09 0.10 116.25 120.94 2ipa h VAL 38 Ca 0.39 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 2ipa h VAL 38 Cb -0.03 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 2ipa h VAL 38 CO -0.11 0.19 -0.11 -0.07 0.02 0.00 0.00 177.57 177.49 2ipa h LEU 39 N 1.05 0.57 -1.01 2.57 -0.00 -0.03 -0.81 115.31 117.65 2ipa h LEU 39 Ca 0.41 -0.39 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2ipa h LEU 39 Cb 0.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2ipa h LEU 39 CO -0.16 0.84 -0.20 -0.33 -0.00 0.00 0.00 178.44 178.59 2ipa h GLU 40 N 0.30 0.48 0.00 1.13 5.08 -0.89 -0.39 114.58 120.29 2ipa h GLU 40 Ca 0.06 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2ipa h GLU 40 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2ipa h GLU 40 CO 0.04 0.66 0.00 0.93 -1.00 0.00 0.00 179.01 179.63 2ipa h GLU 41 N 0.43 0.00 0.11 2.33 4.39 -0.71 -2.19 114.58 118.94 2ipa h GLU 41 Ca 0.07 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.54 2ipa h GLU 41 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2ipa h GLU 41 CO 0.04 0.00 -1.16 1.25 -1.16 0.00 0.00 179.01 177.98 2ipa h LEU 42 N 0.00 0.36 -0.56 1.33 5.85 -0.22 -3.33 115.31 118.75 2ipa h LEU 42 Ca 0.00 -0.87 -0.15 0.00 0.84 0.00 0.00 57.88 57.71 2ipa h LEU 42 Cb 0.55 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2ipa h LEU 42 CO 0.00 1.52 -0.43 -0.78 -0.34 0.00 0.00 178.44 178.41 2ipa h ASP 43 N -0.40 0.73 0.49 1.25 3.58 -1.04 0.09 116.42 121.11 2ipa h ASP 43 Ca -0.25 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2ipa h ASP 43 Cb 1.66 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2ipa h ASP 43 CO 0.07 1.05 0.00 0.00 -2.88 0.00 0.00 179.24 177.48 2ipa n GLN 44 N -4.02 0.00 -0.13 0.28 10.64 -0.83 -0.39 117.38 122.93 2ipa n GLN 44 Ca -0.02 0.26 -0.25 0.00 -1.83 0.00 0.00 57.00 55.16 2ipa n GLN 44 Cb 0.54 -1.51 -0.10 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 -1.51 0.56 -0.24 2.61 2.13 -0.65 -4.82 120.64 118.72 2ipa n GLU 45 Ca 0.03 0.21 0.01 0.00 0.66 0.00 0.00 57.16 58.08 2ipa n GLU 45 Cb 0.17 -1.44 0.02 0.00 0.27 0.00 0.00 31.44 30.46 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ipa n MET 46 N -3.88 0.45 0.00 5.31 0.00 -0.07 -4.76 117.12 114.16 2ipa n MET 46 Ca -0.49 -1.10 0.05 0.00 0.00 0.00 0.00 57.70 56.16 2ipa n MET 46 Cb 0.89 -0.68 0.28 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.24 -0.50 0.24 3.17 0.00 0.48 -1.32 105.19 107.02 2ipa n GLY 47 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.86 0.10 116.42 119.86 2ipa h ASP 48 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2ipa h ASP 48 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ipa h ASP 48 CO 0.00 0.17 -1.35 0.29 -2.88 0.00 0.00 179.24 175.47 2ipa n LYS 49 N -3.53 1.75 -4.64 0.28 4.01 -0.43 -4.97 118.16 110.63 2ipa n LYS 49 Ca -0.01 -0.03 -0.30 0.00 -0.51 0.00 0.00 58.31 57.46 2ipa n LYS 49 Cb 0.32 -1.15 -0.13 0.00 -0.51 0.00 0.00 35.03 33.56 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 -3.99 2.39 0.07 -0.35 2.96 -0.90 -4.73 118.68 114.13 2ipa s LEU 50 Ca -0.03 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 2ipa s LEU 50 Cb 0.03 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2ipa s LEU 50 CO 0.25 0.23 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.66 2ipa s LYS 51 N -1.60 2.24 0.05 1.98 2.20 -1.08 -0.35 119.74 123.18 2ipa s LYS 51 Ca 0.14 -0.94 0.06 0.00 -0.36 0.00 0.00 55.97 54.87 2ipa s LYS 51 Cb -0.10 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2ipa s LYS 51 CO 0.05 0.54 -0.18 0.42 -0.36 0.00 0.00 175.35 175.81 2ipa s ILE 52 N -1.12 1.45 0.05 5.43 1.01 -1.21 -1.38 121.20 125.43 2ipa s ILE 52 Ca 0.19 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.73 2ipa s ILE 52 Cb -0.11 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2ipa s ILE 52 CO 0.11 0.10 -0.11 -0.69 0.00 0.00 0.00 174.94 174.35 2ipa s VAL 53 N -0.86 0.87 0.07 2.92 1.01 -0.27 -0.85 120.40 123.30 2ipa s VAL 53 Ca 0.05 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.03 2ipa s VAL 53 Cb -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2ipa s VAL 53 CO 0.02 -0.20 -0.24 -0.54 0.00 0.00 0.00 175.10 174.14 2ipa s LYS 54 N -1.44 1.49 -0.14 2.72 1.02 0.42 -0.88 119.74 122.94 2ipa s LYS 54 Ca -0.04 -1.12 -0.04 0.00 0.02 0.00 0.00 55.97 54.80 2ipa s LYS 54 Cb -0.09 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 2ipa s LYS 54 CO 0.01 0.43 -0.01 0.42 -0.92 0.00 0.00 175.35 175.28 2ipa s ILE 55 N -0.91 4.12 -0.93 2.17 -1.09 -0.32 -0.46 121.20 123.77 2ipa s ILE 55 Ca 0.10 -0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 58.06 2ipa s ILE 55 Cb -0.10 -2.79 0.16 0.00 -1.58 0.00 0.00 42.46 38.15 2ipa s ILE 55 CO 0.03 0.52 1.07 -1.81 -1.23 0.00 0.00 174.94 173.52 2ipa s ASP 56 N -0.01 6.71 -0.04 3.58 1.11 -1.26 -2.66 116.67 124.10 2ipa s ASP 56 Ca 0.02 -2.31 -0.03 0.00 0.18 0.00 0.00 52.55 50.40 2ipa s ASP 56 Cb -0.13 -2.35 -0.14 0.00 1.07 0.00 0.00 42.92 41.38 2ipa s ASP 56 CO 0.02 -0.90 2.12 0.52 1.18 0.00 0.00 175.17 178.11 2ipa n VAL 57 N 4.99 1.60 0.00 -1.27 0.31 -0.49 -1.12 118.33 122.34 2ipa n VAL 57 Ca 0.23 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2ipa n VAL 57 Cb 0.48 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2ipa n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ipa n ASP 58 N 2.82 0.00 -0.01 4.52 2.03 -1.26 -4.77 116.55 119.87 2ipa n ASP 58 Ca 0.23 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.33 2ipa n ASP 58 Cb 0.46 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.22 -0.21 -0.67 4.81 -1.71 -3.41 114.58 113.62 2ipa h GLU 59 Ca 0.00 -0.38 -0.21 0.00 -0.13 0.00 0.00 59.36 58.65 2ipa h GLU 59 Cb 0.00 0.14 -0.32 0.00 0.63 0.00 0.00 28.75 29.20 2ipa h GLU 59 CO 0.00 1.18 -0.92 0.27 -0.73 0.00 0.00 179.01 178.81 2ipa n ASN 60 N -3.72 1.81 0.00 1.04 0.23 -0.28 -4.86 115.26 109.48 2ipa n ASN 60 Ca -0.31 -2.63 0.03 0.00 -0.53 0.00 0.00 54.58 51.14 2ipa n ASN 60 Cb 0.96 -0.40 0.16 0.00 -2.08 0.00 0.00 39.78 38.43 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ipa n GLN 61 N -0.28 0.07 -0.21 -3.83 10.64 -1.20 -3.66 117.38 118.91 2ipa n GLN 61 Ca 0.14 0.27 -0.01 0.00 -1.83 0.00 0.00 57.00 55.57 2ipa n GLN 61 Cb 0.94 -1.50 0.06 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 -0.00 -0.63 2.61 3.07 -1.92 0.22 114.58 117.93 2ipa h GLU 62 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2ipa h GLU 62 Cb 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2ipa h GLU 62 CO 0.00 -0.00 0.42 1.15 -1.40 0.00 0.00 179.01 179.18 2ipa h THR 63 N -0.00 1.14 0.46 1.13 2.02 -1.82 0.92 112.91 116.75 2ipa h THR 63 Ca 0.30 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2ipa h THR 63 Cb 0.46 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2ipa h THR 63 CO -0.65 0.15 -0.22 0.00 0.37 0.00 0.00 175.52 175.17 2ipa h ALA 64 N 1.62 -0.61 -0.82 6.16 0.00 -1.25 -0.66 119.26 123.70 2ipa h ALA 64 Ca 0.24 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.11 2ipa h ALA 64 Cb -0.05 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2ipa h ALA 64 CO -0.06 -0.65 0.39 0.78 0.00 0.00 0.00 179.25 179.71 2ipa h GLY 65 N -1.00 1.32 1.21 0.00 0.00 -1.23 -0.27 103.07 103.10 2ipa h GLY 65 Ca -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2ipa h GLY 65 CO 0.10 -0.08 0.27 1.70 0.00 0.00 0.00 176.54 178.53 2ipa h LYS 66 N 0.54 1.01 0.01 4.80 3.64 -0.68 -2.33 116.57 123.56 2ipa h LYS 66 Ca 0.46 -0.17 -0.20 0.00 -1.27 0.00 0.00 60.65 59.47 2ipa h LYS 66 Cb 0.69 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2ipa h LYS 66 CO -0.40 0.82 -0.91 -0.92 -2.27 0.00 0.00 179.45 175.78 2ipa h TYR 67 N 0.99 0.22 -0.99 1.91 3.20 -0.53 -3.49 116.97 118.28 2ipa h TYR 67 Ca 0.23 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2ipa h TYR 67 Cb 0.20 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2ipa h TYR 67 CO 0.02 0.97 0.00 0.41 -1.64 0.00 0.00 178.16 177.92 2ipa n GLY 68 N 0.97 0.30 0.82 1.82 0.00 -0.20 -5.09 105.19 103.81 2ipa n GLY 68 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2ipa n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ipa n VAL 69 N -0.20 0.67 -1.77 1.61 0.31 -0.68 -4.99 118.33 113.28 2ipa n VAL 69 Ca 0.00 0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.51 2ipa n VAL 69 Cb 0.04 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2ipa n VAL 69 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ipa n MET 70 N -3.12 -1.83 -3.88 5.55 0.00 -1.26 -4.88 117.12 107.70 2ipa n MET 70 Ca -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 57.70 57.90 2ipa n MET 70 Cb 0.06 -4.62 -0.06 0.00 0.00 0.00 0.00 33.22 28.59 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 -1.73 -0.02 0.01 3.17 1.04 -1.26 -5.15 113.70 109.76 2ipa s SER 71 Ca 0.00 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 2ipa s SER 71 Cb 0.00 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 2ipa s SER 71 CO 0.00 -0.89 0.00 -0.63 0.98 0.00 0.00 173.24 172.70 2ipa s ILE 72 N -3.92 0.07 0.31 -1.02 -1.09 -1.26 -4.22 121.20 110.06 2ipa s ILE 72 Ca 0.13 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 57.71 2ipa s ILE 72 Cb 0.03 -0.19 -0.10 0.00 -1.58 0.00 0.00 42.46 40.62 2ipa s ILE 72 CO -0.03 -0.31 0.95 -2.16 -1.23 0.00 0.00 174.94 172.15 2ipa s PRO 73 N -0.94 4.63 0.13 2.79 0.04 -1.26 -4.80 135.00 135.59 2ipa s PRO 73 Ca -0.10 1.37 0.11 0.00 0.04 0.00 0.00 61.00 62.42 2ipa s PRO 73 Cb -0.06 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2ipa s PRO 73 CO -0.00 0.31 -0.25 0.99 0.04 0.00 0.00 177.00 178.08 2ipa s THR 74 N -1.53 2.36 -0.09 1.26 2.01 -1.08 -1.35 115.64 117.22 2ipa s THR 74 Ca 0.49 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.76 2ipa s THR 74 Cb -0.20 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.27 2ipa s THR 74 CO 0.26 0.08 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 2ipa s LEU 75 N -2.10 1.32 -0.25 4.42 2.96 0.14 -0.60 118.68 124.56 2ipa s LEU 75 Ca 0.15 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2ipa s LEU 75 Cb -0.10 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.87 2ipa s LEU 75 CO 0.07 -0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.20 2ipa s LEU 76 N 1.27 3.27 -0.18 -0.68 1.43 -0.42 -1.31 118.68 122.06 2ipa s LEU 76 Ca -0.04 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 2ipa s LEU 76 Cb -0.14 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2ipa s LEU 76 CO -0.03 -0.15 0.00 -0.69 0.23 0.00 0.00 176.35 175.71 2ipa s VAL 77 N 1.27 4.14 0.20 -1.59 1.01 0.31 -0.55 120.40 125.19 2ipa s VAL 77 Ca -0.02 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2ipa s VAL 77 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2ipa s VAL 77 CO -0.05 0.45 -0.18 -0.76 0.00 0.00 0.00 175.10 174.57 2ipa s LEU 78 N 0.65 2.50 -0.07 3.92 1.02 0.35 -0.61 118.68 126.45 2ipa s LEU 78 Ca -0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 54.13 53.18 2ipa s LEU 78 Cb -0.14 -0.86 0.04 0.00 0.02 0.00 0.00 46.19 45.25 2ipa s LEU 78 CO 0.02 -0.05 0.15 -1.59 0.02 0.00 0.00 176.35 174.91 2ipa s LYS 79 N -3.14 0.11 -0.65 1.70 -2.85 0.26 -0.78 119.74 114.39 2ipa s LYS 79 Ca 0.20 0.37 -0.05 0.00 -1.00 0.00 0.00 55.97 55.50 2ipa s LYS 79 Cb -0.04 -0.15 0.05 0.00 -2.06 0.00 0.00 37.83 35.62 2ipa s LYS 79 CO 0.08 -0.15 0.16 -3.47 0.10 0.00 0.00 175.35 172.07 2ipa n ASP 80 N 4.11 -2.03 0.00 0.03 2.03 0.06 -1.80 116.55 118.95 2ipa n ASP 80 Ca -0.25 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2ipa n ASP 80 Cb 0.52 -1.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 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 -0.73 1.72 3.10 0.27 0.00 -1.13 -4.74 105.19 103.67 2ipa n GLY 81 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.62 0.26 1.61 -1.05 -0.74 -4.91 118.70 114.48 2ipa s GLU 82 Ca 0.00 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 53.64 2ipa s GLU 82 Cb 0.00 -0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.25 2ipa s GLU 82 CO 0.00 0.05 1.29 0.08 0.95 0.00 0.00 175.26 177.63 2ipa s VAL 83 N -1.77 3.04 0.00 1.83 1.01 -1.26 -0.58 120.40 122.67 2ipa s VAL 83 Ca -0.05 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2ipa s VAL 83 Cb -0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2ipa s VAL 83 CO -0.00 0.18 0.00 0.55 0.00 0.00 0.00 175.10 175.83 2ipa n VAL 84 N 1.80 0.00 -3.91 2.92 3.14 0.22 -4.89 118.33 117.62 2ipa n VAL 84 Ca 0.03 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.31 2ipa n VAL 84 Cb 0.43 -0.16 -0.10 0.00 -1.06 0.00 0.00 33.84 32.95 2ipa n VAL 84 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ipa s GLU 85 N -1.35 0.53 -0.06 1.45 0.41 -0.96 -5.03 118.70 113.68 2ipa s GLU 85 Ca 0.00 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 53.90 2ipa s GLU 85 Cb 0.00 0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.58 2ipa s GLU 85 CO 0.00 -0.13 0.15 0.99 -0.49 0.00 0.00 175.26 175.78 2ipa s THR 86 N -2.09 -0.01 -0.07 3.63 2.01 -1.26 -0.53 115.64 117.31 2ipa s THR 86 Ca -0.09 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2ipa s THR 86 Cb -0.04 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.28 2ipa s THR 86 CO -0.02 0.02 0.38 -0.55 -0.69 0.00 0.00 174.62 173.76 2ipa s SER 87 N 0.40 -0.32 -0.41 3.53 0.15 -0.43 -5.02 113.70 111.60 2ipa s SER 87 Ca -0.03 0.42 0.05 0.00 0.70 0.00 0.00 55.95 57.10 2ipa s SER 87 Cb -0.04 0.53 0.20 0.00 -1.71 0.00 0.00 66.02 64.99 2ipa s SER 87 CO -0.02 -0.35 0.41 0.52 1.20 0.00 0.00 173.24 175.01 2ipa n VAL 88 N 1.82 -1.02 0.00 4.45 0.31 -1.26 -0.68 118.33 121.95 2ipa n VAL 88 Ca -0.18 -3.55 0.00 0.00 -0.01 0.00 0.00 64.34 60.60 2ipa n VAL 88 Cb 0.57 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 2.35 2.20 3.77 2.92 0.00 -0.46 -4.92 105.19 111.06 2ipa n GLY 89 Ca 0.27 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 2.80 0.01 1.61 5.36 -1.26 -4.74 117.98 119.76 2ipa s PHE 90 Ca 0.00 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 2ipa s PHE 90 Cb 0.00 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.30 2ipa s PHE 90 CO 0.00 -1.58 -0.02 0.15 -1.46 0.00 0.00 175.22 172.31 2ipa s LYS 91 N -2.87 0.19 1.02 10.12 3.01 -1.26 -5.12 119.74 124.84 2ipa s LYS 91 Ca 0.66 -0.30 -0.13 0.00 -1.01 0.00 0.00 55.97 55.19 2ipa s LYS 91 Cb -0.28 -0.02 0.20 0.00 -1.01 0.00 0.00 37.83 36.72 2ipa s LYS 91 CO 0.33 -0.00 1.10 -1.25 0.51 0.00 0.00 175.35 176.04 2ipa s PRO 92 N -0.67 0.24 0.22 -1.68 0.04 -1.26 -4.74 135.00 127.15 2ipa s PRO 92 Ca -0.06 0.38 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 2ipa s PRO 92 Cb -0.05 -1.73 0.31 0.00 0.04 0.00 0.00 34.50 33.08 2ipa s PRO 92 CO -0.00 -2.83 1.75 -0.22 0.04 0.00 0.00 177.00 175.73 2ipa h LYS 93 N -1.96 0.42 -0.31 4.56 3.11 -1.97 -1.08 116.57 119.34 2ipa h LYS 93 Ca -0.53 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.18 2ipa h LYS 93 Cb 1.33 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 2ipa h LYS 93 CO 0.56 0.28 -0.19 0.93 -2.81 0.00 0.00 179.45 178.22 2ipa h GLU 94 N 0.44 0.68 -0.61 1.90 5.08 -1.98 -0.78 114.58 119.31 2ipa h GLU 94 Ca 0.33 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2ipa h GLU 94 Cb 0.41 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2ipa h GLU 94 CO -0.32 0.91 0.26 0.00 -1.00 0.00 0.00 179.01 178.87 2ipa h ALA 95 N 0.75 1.31 -0.12 3.43 0.00 -1.80 0.48 119.26 123.32 2ipa h ALA 95 Ca 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ipa h ALA 95 Cb 0.73 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ipa h ALA 95 CO 0.05 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.03 2ipa h LEU 96 N 0.87 0.25 -0.94 0.00 5.85 -0.93 -0.63 115.31 119.78 2ipa h LEU 96 Ca 0.21 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2ipa h LEU 96 Cb 0.14 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2ipa h LEU 96 CO -0.02 0.57 0.15 0.06 -0.34 0.00 0.00 178.44 178.86 2ipa h GLN 97 N -0.08 0.92 -0.31 1.25 3.07 -0.94 -2.61 115.11 116.42 2ipa h GLN 97 Ca 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.56 2ipa h GLN 97 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 2ipa h GLN 97 CO 0.01 0.82 0.13 1.49 0.09 0.00 0.00 178.83 181.37 2ipa h GLU 98 N 0.89 0.46 -0.76 0.06 4.81 -0.79 0.43 114.58 119.67 2ipa h GLU 98 Ca 0.19 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 2ipa h GLU 98 Cb 0.31 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 2ipa h GLU 98 CO -0.00 0.47 0.41 1.25 -0.73 0.00 0.00 179.01 180.40 2ipa h LEU 99 N 0.35 0.55 0.18 1.64 5.85 -0.74 -1.31 115.31 121.84 2ipa h LEU 99 Ca 0.10 0.06 -0.32 0.00 0.84 0.00 0.00 57.88 58.56 2ipa h LEU 99 Cb 0.18 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2ipa h LEU 99 CO -0.01 0.31 -1.58 1.62 -0.34 0.00 0.00 178.44 178.44 2ipa h VAL 100 N 0.68 1.04 -0.42 1.05 3.04 -1.42 -3.34 116.25 116.88 2ipa h VAL 100 Ca 0.37 -2.51 0.12 0.00 -1.01 0.00 0.00 66.70 63.67 2ipa h VAL 100 Cb 0.38 2.82 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 2ipa h VAL 100 CO -0.26 0.81 0.33 -1.13 -1.01 0.00 0.00 177.57 176.30 2ipa h ASN 101 N -0.01 0.00 -1.06 3.17 -1.24 -0.53 -0.09 115.58 115.82 2ipa h ASN 101 Ca -0.31 0.00 0.28 0.00 0.71 0.00 0.00 56.30 56.98 2ipa h ASN 101 Cb 2.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.98 2ipa h ASN 101 CO 0.16 0.00 0.71 0.11 -1.29 0.00 0.00 177.43 177.13 2ipa h LYS 102 N 0.00 0.23 0.00 6.67 1.57 -1.37 -3.26 116.57 120.42 2ipa h LYS 102 Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2ipa h LYS 102 Cb 0.85 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2ipa h LYS 102 CO -0.00 0.16 0.00 -2.39 -0.57 0.00 0.00 179.45 176.64 2ipa n HIS 103 N -4.46 0.00 0.22 -1.35 1.44 -0.47 -5.15 115.22 105.44 2ipa n HIS 103 Ca 0.24 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.97 2ipa n HIS 103 Cb 0.98 0.00 0.10 0.00 0.12 0.00 0.00 29.99 31.19 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42