#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 -1.41 -0.76 3.04 0.00 -1.26 -5.05 121.76 116.32 2ipa s ALA 2 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2ipa s ALA 2 Cb 0.00 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.94 2ipa s ALA 2 CO 0.00 -0.98 1.29 0.42 0.00 0.00 0.00 175.76 176.49 2ipa s ILE 3 N -3.71 3.74 0.82 0.00 1.09 -1.26 -4.08 121.20 117.80 2ipa s ILE 3 Ca 0.10 0.31 -0.12 0.00 -1.10 0.00 0.00 60.65 59.84 2ipa s ILE 3 Cb -0.04 -4.93 0.08 0.00 -1.06 0.00 0.00 42.46 36.51 2ipa s ILE 3 CO 0.02 -1.86 1.10 -0.69 -0.10 0.00 0.00 174.94 173.41 2ipa s VAL 4 N 5.67 2.91 -0.18 2.92 1.01 -0.21 -4.90 120.40 127.62 2ipa s VAL 4 Ca 0.36 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2ipa s VAL 4 Cb -0.07 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2ipa s VAL 4 CO 0.13 -0.39 -0.17 -1.59 0.00 0.00 0.00 175.10 173.09 2ipa s LYS 5 N -5.14 2.64 0.90 2.72 0.00 -1.26 -0.62 119.74 118.98 2ipa s LYS 5 Ca 0.61 -0.83 -0.14 0.00 0.00 0.00 0.00 55.97 55.62 2ipa s LYS 5 Cb -0.15 -2.49 0.14 0.00 0.00 0.00 0.00 37.83 35.34 2ipa s LYS 5 CO 0.54 -0.28 1.21 0.00 0.00 0.00 0.00 175.35 176.82 2ipa s ALA 6 N 1.32 2.19 0.30 0.59 0.00 0.01 -4.89 121.76 121.28 2ipa s ALA 6 Ca 0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 2ipa s ALA 6 Cb -0.14 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2ipa s ALA 6 CO -0.11 -2.17 0.52 -2.37 0.00 0.00 0.00 175.76 171.63 2ipa n THR 7 N -3.65 0.00 -0.38 0.00 5.66 -1.26 -4.77 114.28 109.87 2ipa n THR 7 Ca 0.10 -1.04 0.33 0.00 -3.05 0.00 0.00 64.05 60.39 2ipa n THR 7 Cb 0.60 0.81 0.57 0.00 -1.55 0.00 0.00 70.33 70.76 2ipa n THR 7 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ipa n ASP 8 N -1.54 0.20 0.00 1.09 2.03 -1.26 -1.38 116.55 115.69 2ipa n ASP 8 Ca -0.04 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2ipa n ASP 8 Cb 0.47 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2ipa n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ipa n GLN 9 N -4.49 1.32 0.31 -0.67 6.02 -1.26 -4.57 117.38 114.04 2ipa n GLN 9 Ca 0.34 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.54 2ipa n GLN 9 Cb 1.30 -0.68 1.07 0.00 1.02 0.00 0.00 30.24 32.95 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 -0.44 1.08 0.02 -1.91 -1.51 113.55 110.79 2ipa h SER 10 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2ipa h SER 10 Cb 0.37 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.82 2ipa h SER 10 CO 0.00 0.00 -0.14 0.15 -1.14 0.00 0.00 176.83 175.70 2ipa h PHE 11 N 0.00 -0.32 -0.44 3.45 3.57 -1.53 -0.31 116.94 121.37 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 0.08 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2ipa h PHE 11 CO 0.00 -0.22 0.20 0.77 -2.23 0.00 0.00 178.31 176.83 2ipa h SER 12 N -0.04 0.59 -0.77 0.41 0.02 -1.55 -2.45 113.55 109.75 2ipa h SER 12 Ca 0.21 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2ipa h SER 12 Cb 0.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 2ipa h SER 12 CO -0.47 0.56 0.36 0.00 -1.14 0.00 0.00 176.83 176.14 2ipa h ALA 13 N 1.05 1.16 0.00 3.77 0.00 -1.38 -0.62 119.26 123.24 2ipa h ALA 13 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ipa h ALA 13 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ipa h ALA 13 CO -0.02 0.63 -0.06 0.93 0.00 0.00 0.00 179.25 180.73 2ipa h GLU 14 N 1.12 0.00 -0.01 0.00 4.39 -0.92 -3.30 114.58 115.86 2ipa h GLU 14 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2ipa h GLU 14 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ipa h GLU 14 CO -0.03 0.06 -0.19 0.25 -1.16 0.00 0.00 179.01 177.94 2ipa n THR 15 N -3.16 0.00 0.49 1.13 -2.24 -0.56 -4.60 114.28 105.34 2ipa n THR 15 Ca 0.01 -0.40 0.09 0.00 -2.27 0.00 0.00 64.05 61.48 2ipa n THR 15 Cb 0.37 1.14 0.39 0.00 -2.10 0.00 0.00 70.33 70.14 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 -0.11 0.26 -3.90 3.42 7.64 -0.35 -1.64 113.62 118.93 2ipa n SER 16 Ca 0.05 0.56 -0.11 0.00 1.01 0.00 0.00 58.87 60.38 2ipa n SER 16 Cb 0.24 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.11 0.29 1.50 1.43 2.02 -1.26 -3.25 118.70 116.31 2ipa s GLU 17 Ca 0.06 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2ipa s GLU 17 Cb 0.10 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2ipa s GLU 17 CO 0.33 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2ipa n GLY 18 N 2.05 -1.37 3.76 -1.39 0.00 -1.26 -4.64 105.19 102.34 2ipa n GLY 18 Ca -0.20 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.27 5.18 -0.11 1.61 1.01 -1.26 -0.90 120.40 125.66 2ipa s VAL 19 Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 2ipa s VAL 19 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.72 2ipa s VAL 19 CO 0.00 0.43 0.13 -0.69 0.00 0.00 0.00 175.10 174.97 2ipa s VAL 20 N -0.00 -0.19 0.08 2.92 1.01 0.00 -2.83 120.40 121.38 2ipa s VAL 20 Ca 0.22 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 2ipa s VAL 20 Cb -0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 2ipa s VAL 20 CO 0.09 -0.00 0.89 -0.22 0.00 0.00 0.00 175.10 175.86 2ipa s LEU 21 N 2.23 4.47 -0.02 3.92 2.96 -0.19 -0.97 118.68 131.08 2ipa s LEU 21 Ca 0.04 1.66 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 2ipa s LEU 21 Cb -0.14 -3.46 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2ipa s LEU 21 CO -0.07 -0.05 -0.24 0.00 -1.32 0.00 0.00 176.35 174.67 2ipa s ALA 22 N 0.06 2.02 0.05 5.97 0.00 -0.16 -1.16 121.76 128.55 2ipa s ALA 22 Ca 0.44 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2ipa s ALA 22 Cb -0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2ipa s ALA 22 CO 0.27 0.49 -0.12 0.34 0.00 0.00 0.00 175.76 176.74 2ipa s ASP 23 N -0.54 1.40 -0.21 0.00 2.15 0.00 -1.03 116.67 118.44 2ipa s ASP 23 Ca 0.08 -0.54 -0.01 0.00 0.43 0.00 0.00 52.55 52.52 2ipa s ASP 23 Cb -0.10 -0.04 0.06 0.00 -0.30 0.00 0.00 42.92 42.54 2ipa s ASP 23 CO -0.01 -0.08 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.53 2ipa s PHE 24 N -1.16 1.78 0.10 -5.34 0.40 0.09 -0.64 117.98 113.21 2ipa s PHE 24 Ca -0.03 -1.32 0.06 0.00 -0.60 0.00 0.00 56.93 55.04 2ipa s PHE 24 Cb -0.09 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 2ipa s PHE 24 CO 0.01 -0.69 -0.15 1.67 0.70 0.00 0.00 175.22 176.77 2ipa s TRP 25 N 1.60 1.39 -0.04 0.36 1.48 -0.69 -2.56 118.94 120.48 2ipa s TRP 25 Ca -0.03 -0.51 -0.31 0.00 -1.06 0.00 0.00 56.10 54.20 2ipa s TRP 25 Cb -0.18 -0.75 0.11 0.00 -1.16 0.00 0.00 33.47 31.50 2ipa s TRP 25 CO -0.07 0.12 1.11 0.00 -4.06 0.00 0.00 176.95 174.05 2ipa s ALA 26 N -1.74 -1.98 -0.90 2.67 0.00 -1.26 -0.74 121.76 117.81 2ipa s ALA 26 Ca 0.05 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2ipa s ALA 26 Cb -0.07 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2ipa s ALA 26 CO 0.03 -0.80 0.89 -2.30 0.00 0.00 0.00 175.76 173.58 2ipa n PRO 27 N -0.29 0.00 -0.24 0.00 -0.02 -1.26 -3.49 135.00 129.71 2ipa n PRO 27 Ca -0.05 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.87 2ipa n PRO 27 Cb 0.61 -1.57 0.15 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.10 -3.53 6.00 4.06 -1.96 -3.45 115.95 117.17 2ipa h TRP 28 Ca 0.00 0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 2ipa h TRP 28 Cb 0.14 0.07 -0.11 0.00 -1.00 0.00 0.00 29.16 28.26 2ipa h TRP 28 CO 0.00 -0.15 -0.10 0.00 -3.56 0.00 0.00 178.44 174.63 2ipa h GLY 30 N 2.32 0.98 0.28 0.00 0.00 -1.90 -2.73 103.07 102.02 2ipa h GLY 30 Ca -0.29 0.01 0.23 0.00 0.00 0.00 0.00 47.33 47.28 2ipa h GLY 30 CO 0.41 -0.24 0.61 -2.55 0.00 0.00 0.00 176.54 174.76 2ipa h PRO 31 N 0.21 0.18 -0.16 4.80 0.11 -1.95 0.14 132.00 135.33 2ipa h PRO 31 Ca 0.42 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.56 2ipa h PRO 31 Cb 0.74 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2ipa h PRO 31 CO -0.56 0.12 0.11 0.77 -0.21 0.00 0.00 178.00 178.23 2ipa h SER 32 N 0.19 0.02 -0.54 -2.05 0.02 -1.74 0.35 113.55 109.80 2ipa h SER 32 Ca 0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2ipa h SER 32 Cb 1.43 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2ipa h SER 32 CO -0.09 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 175.90 2ipa n LYS 33 N -4.50 2.47 -0.02 3.45 4.01 0.46 -2.94 118.16 121.10 2ipa n LYS 33 Ca 0.01 -2.27 -0.03 0.00 -0.51 0.00 0.00 58.31 55.51 2ipa n LYS 33 Cb 0.23 -1.51 -0.01 0.00 -0.51 0.00 0.00 35.03 33.23 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 1.39 0.07 0.05 1.97 2.81 -0.34 -4.45 117.12 118.62 2ipa n MET 34 Ca 0.21 0.02 0.04 0.00 -1.81 0.00 0.00 57.70 56.16 2ipa n MET 34 Cb 0.56 -0.88 0.43 0.00 -0.71 0.00 0.00 33.22 32.62 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 -0.05 1.11 0.83 2.02 6.09 -0.57 -2.00 117.51 124.95 2ipa h ILE 35 Ca -0.07 -0.33 -0.04 0.00 -1.37 0.00 0.00 64.86 63.05 2ipa h ILE 35 Cb 1.09 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.11 2ipa h ILE 35 CO -0.03 0.13 -0.47 0.00 -3.07 0.00 0.00 178.15 174.71 2ipa h ALA 36 N 1.73 -1.29 -1.00 0.18 0.00 -1.70 0.43 119.26 117.61 2ipa h ALA 36 Ca 0.11 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ipa h ALA 36 Cb 0.06 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2ipa h ALA 36 CO -0.01 -1.23 0.65 -1.00 0.00 0.00 0.00 179.25 177.65 2ipa h PRO 37 N -1.21 1.20 -0.89 0.00 0.13 -1.76 -1.77 132.00 127.69 2ipa h PRO 37 Ca -0.11 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2ipa h PRO 37 Cb 0.96 -0.27 -0.07 0.00 0.13 0.00 0.00 31.00 31.75 2ipa h PRO 37 CO 0.14 0.79 0.55 0.28 -0.23 0.00 0.00 178.00 179.53 2ipa h VAL 38 N 1.23 1.02 -0.26 1.56 2.07 -1.20 0.08 116.25 120.76 2ipa h VAL 38 Ca 0.41 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 2ipa h VAL 38 Cb 0.05 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2ipa h VAL 38 CO -0.14 0.18 -0.54 -0.07 0.02 0.00 0.00 177.57 177.02 2ipa h LEU 39 N 0.98 0.84 -1.00 2.57 4.07 -0.07 0.74 115.31 123.44 2ipa h LEU 39 Ca 0.40 -0.44 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 2ipa h LEU 39 Cb 0.22 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2ipa h LEU 39 CO -0.19 1.21 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.89 2ipa h GLU 40 N 0.58 0.54 -0.02 1.13 5.08 -0.83 0.58 114.58 121.63 2ipa h GLU 40 Ca 0.02 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2ipa h GLU 40 Cb 1.12 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2ipa h GLU 40 CO 0.11 0.68 -0.49 0.93 -1.00 0.00 0.00 179.01 179.25 2ipa h GLU 41 N 0.49 0.05 -0.16 2.33 4.39 -0.80 -2.52 114.58 118.36 2ipa h GLU 41 Ca 0.08 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 2ipa h GLU 41 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2ipa h GLU 41 CO 0.04 0.53 -0.38 1.25 -1.16 0.00 0.00 179.01 179.29 2ipa h LEU 42 N 0.04 0.61 -0.28 1.33 5.85 -0.14 -3.15 115.31 119.58 2ipa h LEU 42 Ca -0.00 -0.57 -0.20 0.00 0.84 0.00 0.00 57.88 57.94 2ipa h LEU 42 Cb 0.88 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2ipa h LEU 42 CO 0.07 1.07 -0.77 -0.78 -0.34 0.00 0.00 178.44 177.69 2ipa h ASP 43 N 0.18 0.70 0.71 1.25 3.58 -0.86 -0.87 116.42 121.10 2ipa h ASP 43 Ca -0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2ipa h ASP 43 Cb 0.99 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2ipa h ASP 43 CO 0.08 1.23 0.00 0.00 -2.88 0.00 0.00 179.24 177.68 2ipa n GLN 44 N -3.88 0.18 -0.11 0.28 10.64 -0.96 -0.45 117.38 123.09 2ipa n GLN 44 Ca -0.06 0.41 -0.24 0.00 -1.83 0.00 0.00 57.00 55.28 2ipa n GLN 44 Cb 0.73 -1.85 -0.11 0.00 -0.86 0.00 0.00 30.24 28.16 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 -2.19 0.58 -0.29 2.61 4.07 -0.86 -4.76 120.64 119.80 2ipa n GLU 45 Ca 0.02 0.46 0.01 0.00 -0.06 0.00 0.00 57.16 57.59 2ipa n GLU 45 Cb 0.22 -1.66 0.01 0.00 -0.06 0.00 0.00 31.44 29.95 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 -4.30 0.16 0.00 5.31 0.00 -0.39 -4.80 117.12 113.10 2ipa n MET 46 Ca -0.39 -0.93 0.05 0.00 0.00 0.00 0.00 57.70 56.43 2ipa n MET 46 Cb 0.77 -0.57 0.33 0.00 0.00 0.00 0.00 33.22 33.75 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 -0.09 -0.48 0.21 3.17 0.00 0.41 -1.36 105.19 107.04 2ipa n GLY 47 Ca 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.87 -0.06 116.42 119.68 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 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ipa h ASP 48 CO 0.00 0.29 -1.16 0.29 -2.88 0.00 0.00 179.24 175.77 2ipa n LYS 49 N -3.42 0.62 -4.33 0.28 4.01 -0.47 -5.01 118.16 109.85 2ipa n LYS 49 Ca 0.00 -0.05 -0.19 0.00 -0.51 0.00 0.00 58.31 57.57 2ipa n LYS 49 Cb 0.48 -1.10 -0.13 0.00 -0.51 0.00 0.00 35.03 33.76 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 -3.28 2.15 -0.04 -0.35 2.96 -1.11 -4.72 118.68 114.28 2ipa s LEU 50 Ca -0.02 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2ipa s LEU 50 Cb 0.04 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 2ipa s LEU 50 CO 0.23 0.03 0.14 -0.75 -1.32 0.00 0.00 176.35 174.68 2ipa s LYS 51 N -0.98 3.32 -0.04 1.98 2.20 -1.13 -4.30 119.74 120.79 2ipa s LYS 51 Ca 0.01 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2ipa s LYS 51 Cb -0.07 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2ipa s LYS 51 CO 0.01 0.69 -0.16 0.42 -0.36 0.00 0.00 175.35 175.95 2ipa s ILE 52 N -1.21 1.31 0.01 5.43 1.01 -1.26 -1.03 121.20 125.47 2ipa s ILE 52 Ca 0.23 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2ipa s ILE 52 Cb -0.12 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 2ipa s ILE 52 CO 0.14 0.38 -0.05 -0.69 0.00 0.00 0.00 174.94 174.72 2ipa s VAL 53 N 0.02 0.33 0.22 2.92 1.01 -0.31 -1.05 120.40 123.54 2ipa s VAL 53 Ca -0.03 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 61.61 2ipa s VAL 53 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2ipa s VAL 53 CO 0.02 -0.09 -0.17 -0.54 0.00 0.00 0.00 175.10 174.32 2ipa s LYS 54 N -0.58 1.79 -0.10 2.72 1.02 0.21 -0.82 119.74 123.97 2ipa s LYS 54 Ca -0.03 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 54.47 2ipa s LYS 54 Cb -0.04 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 2ipa s LYS 54 CO -0.00 0.39 -0.14 0.42 -0.92 0.00 0.00 175.35 175.10 2ipa s ILE 55 N -1.96 1.39 -0.53 2.17 -1.09 0.19 -0.81 121.20 120.56 2ipa s ILE 55 Ca 0.25 -0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 57.81 2ipa s ILE 55 Cb -0.07 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 39.55 2ipa s ILE 55 CO 0.14 0.42 1.21 -0.62 -1.23 0.00 0.00 174.94 174.86 2ipa s ASP 56 N 1.04 6.47 -0.12 3.58 -1.08 -1.26 -1.70 116.67 123.61 2ipa s ASP 56 Ca -0.06 0.30 -0.05 0.00 -0.52 0.00 0.00 52.55 52.22 2ipa s ASP 56 Cb -0.15 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.58 2ipa s ASP 56 CO -0.02 -1.42 3.40 1.33 0.52 0.00 0.00 175.17 178.98 2ipa n VAL 57 N 6.79 3.09 0.00 1.11 0.24 0.08 -0.87 118.33 128.77 2ipa n VAL 57 Ca 0.11 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 2ipa n VAL 57 Cb 0.49 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 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 2.07 0.00 -0.06 -1.34 2.03 -1.26 -4.80 116.55 113.19 2ipa n ASP 58 Ca 0.45 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.72 2ipa n ASP 58 Cb 0.82 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.09 2ipa n ASP 58 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2ipa n GLU 59 N -1.01 1.12 -0.68 -0.67 2.13 -1.23 -4.66 120.64 115.64 2ipa n GLU 59 Ca 0.00 -0.05 0.05 0.00 0.66 0.00 0.00 57.16 57.82 2ipa n GLU 59 Cb 0.00 -1.42 0.09 0.00 0.27 0.00 0.00 31.44 30.38 2ipa n GLU 59 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2ipa n ASN 60 N -2.47 1.26 0.00 4.31 2.85 -0.04 -4.85 115.26 116.31 2ipa n ASN 60 Ca -0.20 -2.74 0.12 0.00 -0.11 0.00 0.00 54.58 51.64 2ipa n ASN 60 Cb 0.87 -0.36 0.66 0.00 1.24 0.00 0.00 39.78 42.19 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ipa n GLN 61 N -0.50 0.61 -0.14 1.20 10.64 -0.88 -4.00 117.38 124.31 2ipa n GLN 61 Ca 0.10 0.02 -0.06 0.00 -1.83 0.00 0.00 57.00 55.24 2ipa n GLN 61 Cb 0.80 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.71 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 0.42 -1.00 2.61 5.08 -1.88 -0.60 114.58 119.20 2ipa h GLU 62 Ca 0.00 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2ipa h GLU 62 Cb 0.07 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2ipa h GLU 62 CO 0.00 0.27 0.64 1.15 -1.00 0.00 0.00 179.01 180.07 2ipa h THR 63 N 0.43 0.96 0.31 1.13 2.02 -1.81 -0.03 112.91 115.92 2ipa h THR 63 Ca 0.19 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2ipa h THR 63 Cb 0.11 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.35 2ipa h THR 63 CO -0.14 0.19 -0.15 0.00 0.37 0.00 0.00 175.52 175.79 2ipa h ALA 64 N 1.52 -0.65 -0.97 6.16 0.00 -1.42 -1.05 119.26 122.86 2ipa h ALA 64 Ca 0.48 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.58 2ipa h ALA 64 Cb 0.41 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 2ipa h ALA 64 CO -0.24 -0.62 0.48 0.78 0.00 0.00 0.00 179.25 179.65 2ipa h GLY 65 N -0.68 1.84 0.92 0.00 0.00 -1.18 -0.11 103.07 103.85 2ipa h GLY 65 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2ipa h GLY 65 CO 0.07 -0.42 0.11 1.70 0.00 0.00 0.00 176.54 178.01 2ipa h LYS 66 N 0.33 0.38 -0.15 4.80 3.64 -0.88 -2.90 116.57 121.79 2ipa h LYS 66 Ca 0.67 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.86 2ipa h LYS 66 Cb 1.43 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2ipa h LYS 66 CO -0.60 0.40 -0.45 -0.92 -2.27 0.00 0.00 179.45 175.61 2ipa h TYR 67 N 0.27 0.43 0.00 1.91 3.20 -0.13 -3.48 116.97 119.18 2ipa h TYR 67 Ca 0.09 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2ipa h TYR 67 Cb 0.15 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2ipa h TYR 67 CO -0.01 0.75 0.00 0.41 -1.64 0.00 0.00 178.16 177.66 2ipa n GLY 68 N -0.03 0.82 2.86 1.82 0.00 -0.18 -5.11 105.19 105.37 2ipa n GLY 68 Ca -0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.85 0.24 0.00 1.61 1.01 -0.43 -4.98 120.40 116.01 2ipa s VAL 69 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2ipa s VAL 69 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2ipa s VAL 69 CO 0.00 0.13 0.66 0.23 0.00 0.00 0.00 175.10 176.12 2ipa n MET 70 N 3.80 0.00 -4.23 2.72 2.81 -1.26 -2.98 117.12 117.98 2ipa n MET 70 Ca -0.23 -0.52 -0.13 0.00 -1.81 0.00 0.00 57.70 55.01 2ipa n MET 70 Cb 0.53 -0.30 -0.10 0.00 -0.71 0.00 0.00 33.22 32.63 2ipa n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ipa s SER 71 N -0.43 1.40 -0.01 7.83 1.04 -1.26 -5.15 113.70 117.12 2ipa s SER 71 Ca 0.00 -1.09 0.04 0.00 0.48 0.00 0.00 55.95 55.38 2ipa s SER 71 Cb 0.00 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 2ipa s SER 71 CO 0.00 -0.47 -0.13 -0.63 0.98 0.00 0.00 173.24 172.99 2ipa s ILE 72 N -3.54 1.06 0.03 -1.02 -1.09 -1.26 -3.74 121.20 111.65 2ipa s ILE 72 Ca 0.19 -0.56 -0.23 0.00 -2.23 0.00 0.00 60.65 57.82 2ipa s ILE 72 Cb 0.05 -0.89 -0.06 0.00 -1.58 0.00 0.00 42.46 39.98 2ipa s ILE 72 CO 0.01 0.30 0.67 -2.16 -1.23 0.00 0.00 174.94 172.53 2ipa s PRO 73 N -0.25 4.40 -0.09 2.79 0.04 -1.26 -4.68 135.00 135.94 2ipa s PRO 73 Ca 0.04 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 61.94 2ipa s PRO 73 Cb -0.06 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2ipa s PRO 73 CO -0.00 0.37 0.07 0.99 0.04 0.00 0.00 177.00 178.47 2ipa s THR 74 N -0.28 4.85 -0.07 1.26 2.01 -1.06 -1.37 115.64 120.98 2ipa s THR 74 Ca 0.34 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.32 2ipa s THR 74 Cb -0.20 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2ipa s THR 74 CO 0.20 0.59 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.77 2ipa s LEU 75 N -1.01 2.39 -0.23 4.42 1.43 0.30 -0.74 118.68 125.24 2ipa s LEU 75 Ca 0.15 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2ipa s LEU 75 Cb -0.12 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2ipa s LEU 75 CO 0.04 0.26 -0.12 -0.76 0.23 0.00 0.00 176.35 175.99 2ipa s LEU 76 N -0.21 2.89 -0.19 1.79 1.43 -0.20 -1.53 118.68 122.66 2ipa s LEU 76 Ca -0.01 -1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 51.77 2ipa s LEU 76 Cb -0.13 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2ipa s LEU 76 CO 0.03 -0.14 0.54 -0.69 0.23 0.00 0.00 176.35 176.32 2ipa s VAL 77 N 1.21 5.09 0.18 -1.59 1.01 0.19 -0.99 120.40 125.51 2ipa s VAL 77 Ca -0.04 1.01 0.10 0.00 0.00 0.00 0.00 61.98 63.05 2ipa s VAL 77 Cb -0.18 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ipa s VAL 77 CO -0.07 0.18 -0.21 -0.76 0.00 0.00 0.00 175.10 174.24 2ipa s LEU 78 N 1.58 2.44 -0.11 3.92 1.02 -0.14 -0.79 118.68 126.60 2ipa s LEU 78 Ca 0.25 -0.87 -0.12 0.00 0.02 0.00 0.00 54.13 53.41 2ipa s LEU 78 Cb -0.16 -0.98 0.03 0.00 0.02 0.00 0.00 46.19 45.10 2ipa s LEU 78 CO 0.10 0.03 0.33 -1.59 0.02 0.00 0.00 176.35 175.24 2ipa s LYS 79 N -2.78 0.44 -0.59 1.70 -2.85 -0.09 -0.82 119.74 114.76 2ipa s LYS 79 Ca 0.19 0.35 -0.02 0.00 -1.00 0.00 0.00 55.97 55.49 2ipa s LYS 79 Cb -0.07 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.93 2ipa s LYS 79 CO 0.08 -0.07 0.06 -3.47 0.10 0.00 0.00 175.35 172.05 2ipa n ASP 80 N 2.62 -2.41 0.00 0.03 2.03 -0.08 -1.96 116.55 116.79 2ipa n ASP 80 Ca -0.14 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2ipa n ASP 80 Cb 0.57 -2.12 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 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 -0.69 0.96 3.04 0.27 0.00 -0.65 -4.72 105.19 103.39 2ipa n GLY 81 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 0.48 0.26 1.61 -1.05 -0.83 -4.87 118.70 113.37 2ipa s GLU 82 Ca 0.00 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.82 2ipa s GLU 82 Cb 0.00 -0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.38 2ipa s GLU 82 CO 0.00 0.03 1.19 0.08 0.95 0.00 0.00 175.26 177.52 2ipa s VAL 83 N -1.34 3.29 0.00 1.83 1.01 -1.26 -0.91 120.40 123.02 2ipa s VAL 83 Ca -0.11 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2ipa s VAL 83 Cb -0.10 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2ipa s VAL 83 CO 0.00 0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.69 2ipa n VAL 84 N 1.55 0.00 -3.90 2.92 0.24 0.03 -4.92 118.33 114.24 2ipa n VAL 84 Ca 0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 2ipa n VAL 84 Cb 0.44 0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 32.99 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 -1.45 0.59 -0.01 7.34 0.41 -1.05 -5.02 118.70 119.52 2ipa s GLU 85 Ca 0.00 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2ipa s GLU 85 Cb 0.00 0.24 0.01 0.00 -1.78 0.00 0.00 34.13 32.59 2ipa s GLU 85 CO 0.00 -0.15 0.01 0.99 -0.49 0.00 0.00 175.26 175.61 2ipa s THR 86 N -2.36 0.00 -0.03 3.63 2.01 -1.26 -0.64 115.64 116.99 2ipa s THR 86 Ca -0.07 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.81 2ipa s THR 86 Cb -0.02 -0.04 0.03 0.00 0.01 0.00 0.00 72.50 72.47 2ipa s THR 86 CO -0.03 0.03 0.37 -0.55 -0.69 0.00 0.00 174.62 173.75 2ipa s SER 87 N 0.29 -0.28 -0.15 3.53 0.15 -0.59 -5.03 113.70 111.63 2ipa s SER 87 Ca -0.02 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 2ipa s SER 87 Cb -0.04 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2ipa s SER 87 CO -0.01 -0.43 0.07 -0.69 1.20 0.00 0.00 173.24 173.38 2ipa s VAL 88 N -1.13 0.04 0.00 4.45 1.01 -1.26 -0.54 120.40 122.96 2ipa s VAL 88 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2ipa s VAL 88 Cb -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2ipa s VAL 88 CO 0.05 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2ipa n GLY 89 N 5.24 4.22 3.77 4.51 0.00 -0.47 -4.96 105.19 117.49 2ipa n GLY 89 Ca -0.07 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 2.76 -0.00 1.61 5.36 -1.26 -4.71 117.98 119.74 2ipa s PHE 90 Ca 0.00 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 2ipa s PHE 90 Cb 0.00 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 2ipa s PHE 90 CO 0.00 -2.22 -0.05 0.15 -1.46 0.00 0.00 175.22 171.63 2ipa s LYS 91 N -2.28 0.43 0.99 10.12 3.01 -1.26 -5.11 119.74 125.64 2ipa s LYS 91 Ca 0.57 -0.23 -0.12 0.00 -1.01 0.00 0.00 55.97 55.18 2ipa s LYS 91 Cb -0.39 -0.40 0.18 0.00 -1.01 0.00 0.00 37.83 36.21 2ipa s LYS 91 CO 0.50 0.11 1.09 -1.25 0.51 0.00 0.00 175.35 176.30 2ipa s PRO 92 N -0.24 0.53 0.24 -1.68 0.04 -1.26 -4.66 135.00 127.97 2ipa s PRO 92 Ca 0.01 0.66 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 2ipa s PRO 92 Cb -0.03 -1.74 0.36 0.00 0.04 0.00 0.00 34.50 33.14 2ipa s PRO 92 CO -0.00 -2.70 1.60 -0.22 0.04 0.00 0.00 177.00 175.72 2ipa h LYS 93 N -1.88 0.01 -0.24 4.56 1.63 -1.96 0.23 116.57 118.93 2ipa h LYS 93 Ca -0.54 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.16 2ipa h LYS 93 Cb 1.31 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2ipa h LYS 93 CO 0.55 0.01 -0.27 0.93 -3.45 0.00 0.00 179.45 177.22 2ipa h GLU 94 N 0.01 0.60 -0.59 1.90 5.08 -1.97 -1.06 114.58 118.55 2ipa h GLU 94 Ca 0.39 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2ipa h GLU 94 Cb 0.62 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2ipa h GLU 94 CO -0.80 0.93 0.16 0.00 -1.00 0.00 0.00 179.01 178.29 2ipa h ALA 95 N 0.66 1.17 0.44 3.43 0.00 -1.71 -0.22 119.26 123.03 2ipa h ALA 95 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2ipa h ALA 95 Cb 0.83 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ipa h ALA 95 CO 0.06 0.57 -0.21 1.25 0.00 0.00 0.00 179.25 180.92 2ipa h LEU 96 N 0.87 -0.50 -0.85 0.00 7.12 -0.80 -0.95 115.31 120.21 2ipa h LEU 96 Ca 0.19 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.15 2ipa h LEU 96 Cb 0.29 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 2ipa h LEU 96 CO -0.00 -0.34 0.18 0.06 -0.13 0.00 0.00 178.44 178.21 2ipa h GLN 97 N -0.61 1.04 -0.53 1.25 3.07 -1.00 -2.19 115.11 116.15 2ipa h GLN 97 Ca -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 58.65 58.44 2ipa h GLN 97 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 2ipa h GLN 97 CO 0.10 0.91 0.27 1.49 0.09 0.00 0.00 178.83 181.69 2ipa h GLU 98 N 0.99 0.75 -0.60 0.06 4.81 -0.95 0.15 114.58 119.80 2ipa h GLU 98 Ca 0.21 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2ipa h GLU 98 Cb 0.32 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2ipa h GLU 98 CO -0.00 0.60 0.37 1.25 -0.73 0.00 0.00 179.01 180.50 2ipa h LEU 99 N 0.70 0.62 0.17 1.64 7.12 -0.53 -2.38 115.31 122.65 2ipa h LEU 99 Ca 0.18 -0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.89 2ipa h LEU 99 Cb 0.08 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.09 2ipa h LEU 99 CO -0.03 0.44 -1.37 1.62 -0.13 0.00 0.00 178.44 178.97 2ipa h VAL 100 N 0.75 1.37 -0.42 1.05 3.04 -1.46 -3.33 116.25 117.25 2ipa h VAL 100 Ca 0.23 -2.91 0.11 0.00 -1.01 0.00 0.00 66.70 63.12 2ipa h VAL 100 Cb -0.01 2.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.20 2ipa h VAL 100 CO -0.08 0.86 0.30 -1.13 -1.01 0.00 0.00 177.57 176.50 2ipa h ASN 101 N 0.10 0.07 -0.23 3.17 -1.24 -0.55 0.44 115.58 117.34 2ipa h ASN 101 Ca -0.19 0.00 0.07 0.00 0.71 0.00 0.00 56.30 56.89 2ipa h ASN 101 Cb 2.04 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 41.07 2ipa h ASN 101 CO 0.22 0.04 0.22 0.11 -1.29 0.00 0.00 177.43 176.74 2ipa h LYS 102 N 0.08 0.00 0.00 6.67 1.57 -1.54 -3.23 116.57 120.12 2ipa h LYS 102 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2ipa h LYS 102 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2ipa h LYS 102 CO -0.02 0.00 -0.48 0.72 -0.57 0.00 0.00 179.45 179.10 2ipa n HIS 103 N -3.94 0.00 0.53 -1.35 8.25 -0.10 -5.16 115.22 113.45 2ipa n HIS 103 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 2ipa n HIS 103 Cb 0.36 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.72 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87