#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipa n ALA 2 N 0.00 -2.40 -2.61 -5.12 0.00 -1.26 -4.80 120.51 104.33 2ipa n ALA 2 Ca 0.00 0.59 -0.43 0.00 0.00 0.00 0.00 53.44 53.60 2ipa n ALA 2 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2ipa n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ipa s ILE 3 N -4.51 4.53 0.77 0.00 1.09 -1.26 -4.05 121.20 117.76 2ipa s ILE 3 Ca 0.00 0.35 -0.12 0.00 -1.10 0.00 0.00 60.65 59.78 2ipa s ILE 3 Cb 0.00 -4.43 0.05 0.00 -1.06 0.00 0.00 42.46 37.03 2ipa s ILE 3 CO 0.00 -0.90 1.13 -0.69 -0.10 0.00 0.00 174.94 174.38 2ipa s VAL 4 N 3.58 2.75 -0.17 2.92 1.01 0.04 -4.91 120.40 125.63 2ipa s VAL 4 Ca 0.30 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2ipa s VAL 4 Cb -0.12 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2ipa s VAL 4 CO 0.21 -0.32 -0.15 -1.59 0.00 0.00 0.00 175.10 173.25 2ipa s LYS 5 N -5.44 2.48 0.82 2.72 -2.85 -1.26 -0.75 119.74 115.46 2ipa s LYS 5 Ca 0.60 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.97 54.77 2ipa s LYS 5 Cb -0.11 -2.30 0.08 0.00 -2.06 0.00 0.00 37.83 33.44 2ipa s LYS 5 CO 0.51 -0.25 1.15 0.00 0.10 0.00 0.00 175.35 176.86 2ipa s ALA 6 N 1.41 2.48 0.00 0.59 0.00 0.19 -4.88 121.76 121.56 2ipa s ALA 6 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2ipa s ALA 6 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2ipa s ALA 6 CO -0.11 -1.73 0.00 0.25 0.00 0.00 0.00 175.76 174.17 2ipa n THR 7 N -3.37 0.00 0.32 0.00 -2.24 -1.26 -4.70 114.28 103.02 2ipa n THR 7 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 2ipa n THR 7 Cb 0.60 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.56 2ipa n THR 7 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2ipa h ASP 8 N 0.00 0.00 0.00 3.42 2.03 -1.95 -3.22 116.42 116.71 2ipa h ASP 8 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ipa h ASP 8 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2ipa h ASP 8 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 2ipa n GLN 9 N -2.89 0.00 0.31 4.15 6.02 -1.26 -4.65 117.38 119.05 2ipa n GLN 9 Ca -0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.18 2ipa n GLN 9 Cb 0.46 -0.48 1.02 0.00 1.02 0.00 0.00 30.24 32.26 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 -0.19 1.08 0.02 -1.92 -1.81 113.55 110.73 2ipa h SER 10 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2ipa h SER 10 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2ipa h SER 10 CO 0.00 0.00 -0.33 0.15 -1.14 0.00 0.00 176.83 175.51 2ipa h PHE 11 N 0.00 -0.93 -0.50 3.45 3.57 -1.87 -1.04 116.94 119.62 2ipa h PHE 11 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2ipa h PHE 11 Cb 0.16 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2ipa h PHE 11 CO 0.00 -0.40 0.24 0.77 -2.23 0.00 0.00 178.31 176.69 2ipa h SER 12 N -0.38 0.65 -0.59 0.41 0.02 -1.65 -1.74 113.55 110.28 2ipa h SER 12 Ca 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2ipa h SER 12 Cb 0.55 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2ipa h SER 12 CO -0.40 0.59 0.28 0.00 -1.14 0.00 0.00 176.83 176.16 2ipa h ALA 13 N 1.08 1.33 0.00 3.77 0.00 -1.47 -1.41 119.26 122.57 2ipa h ALA 13 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ipa h ALA 13 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2ipa h ALA 13 CO -0.02 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.67 2ipa h GLU 14 N 0.88 0.00 -0.00 0.00 4.39 -0.85 -3.36 114.58 115.63 2ipa h GLU 14 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2ipa h GLU 14 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2ipa h GLU 14 CO -0.03 0.00 -0.41 0.25 -1.16 0.00 0.00 179.01 177.66 2ipa n THR 15 N -3.04 0.00 0.78 1.13 -2.24 -0.68 -4.57 114.28 105.66 2ipa n THR 15 Ca 0.04 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 2ipa n THR 15 Cb 0.52 1.07 0.44 0.00 -2.10 0.00 0.00 70.33 70.25 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 -0.77 0.00 -3.98 3.42 7.64 -0.61 -1.90 113.62 117.43 2ipa n SER 16 Ca 0.04 0.19 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 2ipa n SER 16 Cb 0.22 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.72 0.50 2.94 1.43 2.02 -1.26 -3.33 118.70 118.28 2ipa s GLU 17 Ca 0.14 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2ipa s GLU 17 Cb 0.12 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2ipa s GLU 17 CO 0.30 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.88 2ipa n GLY 18 N 0.93 0.24 3.40 -1.39 0.00 -1.26 -4.51 105.19 102.60 2ipa n GLY 18 Ca -0.20 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 3.16 -0.09 1.61 1.01 -1.26 -0.64 120.40 124.19 2ipa s VAL 19 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2ipa s VAL 19 Cb 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2ipa s VAL 19 CO 0.00 0.53 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 2ipa s VAL 20 N 0.19 -0.11 -0.19 2.92 1.01 0.12 -2.77 120.40 121.57 2ipa s VAL 20 Ca -0.07 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2ipa s VAL 20 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2ipa s VAL 20 CO 0.05 0.01 1.04 -0.22 0.00 0.00 0.00 175.10 175.98 2ipa s LEU 21 N 2.16 4.15 0.02 3.92 2.96 -0.24 -1.06 118.68 130.59 2ipa s LEU 21 Ca 0.04 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 2ipa s LEU 21 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2ipa s LEU 21 CO -0.05 -0.61 -0.03 0.00 -1.32 0.00 0.00 176.35 174.33 2ipa s ALA 22 N 2.87 3.15 0.01 5.97 0.00 -0.31 -1.13 121.76 132.32 2ipa s ALA 22 Ca 0.46 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2ipa s ALA 22 Cb -0.16 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 2ipa s ALA 22 CO 0.10 0.64 0.03 0.34 0.00 0.00 0.00 175.76 176.86 2ipa s ASP 23 N -1.61 0.17 -0.17 0.00 2.15 0.09 -1.11 116.67 116.19 2ipa s ASP 23 Ca 0.19 -0.40 -0.02 0.00 0.43 0.00 0.00 52.55 52.76 2ipa s ASP 23 Cb -0.11 0.13 0.05 0.00 -0.30 0.00 0.00 42.92 42.69 2ipa s ASP 23 CO 0.10 -0.32 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.41 2ipa s PHE 24 N -1.42 1.30 0.06 -5.34 0.40 0.05 -0.55 117.98 112.48 2ipa s PHE 24 Ca -0.15 -0.90 0.04 0.00 -0.60 0.00 0.00 56.93 55.32 2ipa s PHE 24 Cb -0.09 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 2ipa s PHE 24 CO -0.00 -0.58 -0.12 1.67 0.70 0.00 0.00 175.22 176.89 2ipa s TRP 25 N 1.76 0.99 0.01 0.36 1.48 -1.07 -2.63 118.94 119.85 2ipa s TRP 25 Ca 0.00 -0.45 -0.29 0.00 -1.06 0.00 0.00 56.10 54.30 2ipa s TRP 25 Cb -0.16 -0.57 0.10 0.00 -1.16 0.00 0.00 33.47 31.68 2ipa s TRP 25 CO -0.07 0.00 1.04 0.00 -4.06 0.00 0.00 176.95 173.86 2ipa s ALA 26 N -1.24 -1.89 0.32 2.67 0.00 -1.26 -1.08 121.76 119.29 2ipa s ALA 26 Ca -0.05 0.76 0.22 0.00 0.00 0.00 0.00 51.96 52.90 2ipa s ALA 26 Cb -0.10 0.39 1.22 0.00 0.00 0.00 0.00 23.12 24.63 2ipa s ALA 26 CO 0.01 -0.86 1.64 -1.35 0.00 0.00 0.00 175.76 175.21 2ipa h PRO 27 N 2.00 0.00 -0.51 0.00 0.11 -1.99 -3.01 132.00 128.60 2ipa h PRO 27 Ca -0.22 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.04 2ipa h PRO 27 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2ipa h PRO 27 CO 0.27 0.00 0.49 -1.49 -0.21 0.00 0.00 178.00 177.06 2ipa h TRP 28 N 0.00 0.00 -3.96 0.65 4.06 -1.96 -3.43 115.95 111.31 2ipa h TRP 28 Ca 0.00 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.70 2ipa h TRP 28 Cb 0.58 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.53 2ipa h TRP 28 CO 0.00 0.00 -0.73 0.00 -3.56 0.00 0.00 178.44 174.15 2ipa h GLY 30 N 4.38 -0.10 -0.17 0.00 0.00 -1.89 -3.10 103.07 102.18 2ipa h GLY 30 Ca -0.35 0.04 0.24 0.00 0.00 0.00 0.00 47.33 47.26 2ipa h GLY 30 CO 0.43 -0.04 0.86 -2.55 0.00 0.00 0.00 176.54 175.24 2ipa h PRO 31 N -0.31 0.00 -0.71 4.80 0.11 -1.96 0.63 132.00 134.57 2ipa h PRO 31 Ca -0.01 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.19 2ipa h PRO 31 Cb 0.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.33 2ipa h PRO 31 CO 0.02 0.00 0.47 0.77 -0.21 0.00 0.00 178.00 179.04 2ipa h SER 32 N 0.00 0.55 -0.31 -2.05 0.02 -1.81 0.31 113.55 110.27 2ipa h SER 32 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2ipa h SER 32 Cb 2.10 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2ipa h SER 32 CO -0.00 0.34 0.00 0.29 -1.14 0.00 0.00 176.83 176.31 2ipa n LYS 33 N -4.49 1.84 -0.01 3.45 4.01 0.21 -2.46 118.16 120.71 2ipa n LYS 33 Ca 0.11 -1.29 -0.02 0.00 -0.51 0.00 0.00 58.31 56.61 2ipa n LYS 33 Cb 0.32 -1.33 -0.01 0.00 -0.51 0.00 0.00 35.03 33.50 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 0.53 0.05 0.01 1.97 2.81 -0.30 -4.46 117.12 117.73 2ipa n MET 34 Ca 0.14 0.01 0.03 0.00 -1.81 0.00 0.00 57.70 56.07 2ipa n MET 34 Cb 0.33 -0.91 0.38 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 -0.02 1.14 0.63 2.02 6.09 -0.60 -1.88 117.51 124.89 2ipa h ILE 35 Ca -0.04 -0.43 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 2ipa h ILE 35 Cb 1.06 0.71 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 2ipa h ILE 35 CO -0.01 0.17 -0.46 0.00 -3.07 0.00 0.00 178.15 174.77 2ipa h ALA 36 N 1.66 -1.20 -0.99 0.18 0.00 -1.67 -0.21 119.26 117.03 2ipa h ALA 36 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ipa h ALA 36 Cb 0.10 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ipa h ALA 36 CO -0.01 -1.19 0.65 -1.00 0.00 0.00 0.00 179.25 177.70 2ipa h PRO 37 N -1.04 1.25 -1.01 0.00 0.13 -1.76 -2.22 132.00 127.35 2ipa h PRO 37 Ca -0.08 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.06 2ipa h PRO 37 Cb 0.86 -0.28 -0.07 0.00 0.13 0.00 0.00 31.00 31.63 2ipa h PRO 37 CO 0.04 0.83 0.64 0.28 -0.23 0.00 0.00 178.00 179.56 2ipa h VAL 38 N 1.29 1.02 -0.13 1.56 2.07 -1.13 0.61 116.25 121.54 2ipa h VAL 38 Ca 0.38 -0.38 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 2ipa h VAL 38 Cb -0.05 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.54 2ipa h VAL 38 CO -0.11 0.20 -0.80 -0.07 0.02 0.00 0.00 177.57 176.81 2ipa h LEU 39 N 1.11 0.89 -1.07 2.57 4.07 -0.44 -0.15 115.31 122.29 2ipa h LEU 39 Ca 0.46 -0.60 -0.07 0.00 0.08 0.00 0.00 57.88 57.75 2ipa h LEU 39 Cb 0.30 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2ipa h LEU 39 CO -0.21 1.39 -0.09 -0.33 -1.08 0.00 0.00 178.44 178.12 2ipa h GLU 40 N 0.50 0.55 0.00 1.13 5.08 -1.03 0.62 114.58 121.43 2ipa h GLU 40 Ca -0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2ipa h GLU 40 Cb 1.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2ipa h GLU 40 CO 0.16 0.64 0.00 0.93 -1.00 0.00 0.00 179.01 179.75 2ipa h GLU 41 N 0.51 0.00 0.11 2.33 4.39 -0.73 -2.23 114.58 118.96 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 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2ipa h GLU 41 CO 0.03 0.00 -1.49 1.25 -1.16 0.00 0.00 179.01 177.64 2ipa h LEU 42 N 0.00 0.36 -0.40 1.33 5.85 0.12 -3.34 115.31 119.23 2ipa h LEU 42 Ca 0.00 -0.84 -0.18 0.00 0.84 0.00 0.00 57.88 57.70 2ipa h LEU 42 Cb 0.52 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2ipa h LEU 42 CO 0.00 1.65 -0.60 -0.78 -0.34 0.00 0.00 178.44 178.37 2ipa h ASP 43 N -0.30 0.73 0.46 1.25 3.58 -0.89 -0.15 116.42 121.10 2ipa h ASP 43 Ca -0.33 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 56.71 2ipa h ASP 43 Cb 1.77 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.61 2ipa h ASP 43 CO 0.04 1.16 0.00 0.00 -2.88 0.00 0.00 179.24 177.57 2ipa n GLN 44 N -3.95 0.07 -0.14 0.28 10.64 -0.84 -0.21 117.38 123.23 2ipa n GLN 44 Ca -0.04 0.37 -0.27 0.00 -1.83 0.00 0.00 57.00 55.23 2ipa n GLN 44 Cb 0.64 -1.66 -0.10 0.00 -0.86 0.00 0.00 30.24 28.26 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 -1.79 0.60 -0.21 2.61 2.13 -0.79 -4.81 120.64 118.38 2ipa n GLU 45 Ca 0.02 0.24 0.01 0.00 0.66 0.00 0.00 57.16 58.09 2ipa n GLU 45 Cb 0.15 -1.50 0.01 0.00 0.27 0.00 0.00 31.44 30.38 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 -4.04 0.45 0.00 5.31 0.00 -0.14 -4.76 117.12 113.94 2ipa n MET 46 Ca -0.53 -1.02 0.06 0.00 0.00 0.00 0.00 57.70 56.21 2ipa n MET 46 Cb 0.91 -0.66 0.34 0.00 0.00 0.00 0.00 33.22 33.82 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 -0.20 -0.50 0.23 3.17 0.00 0.71 -1.40 105.19 107.20 2ipa n GLY 47 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.42 116.42 120.17 2ipa h ASP 48 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2ipa h ASP 48 Cb 0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2ipa h ASP 48 CO 0.00 0.22 -1.60 0.29 -2.88 0.00 0.00 179.24 175.27 2ipa n LYS 49 N -3.60 1.77 -4.70 0.28 4.01 -0.50 -4.96 118.16 110.47 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 0.35 -1.25 -0.14 0.00 -0.51 0.00 0.00 35.03 33.49 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 -4.39 2.25 -0.04 -0.35 2.96 -1.02 -4.75 118.68 113.33 2ipa s LEU 50 Ca -0.04 -0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2ipa s LEU 50 Cb 0.04 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 2ipa s LEU 50 CO 0.40 0.23 0.09 -0.75 -1.32 0.00 0.00 176.35 175.01 2ipa s LYS 51 N -1.56 3.18 -0.04 1.98 2.20 -1.12 -0.80 119.74 123.58 2ipa s LYS 51 Ca 0.13 -0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.41 2ipa s LYS 51 Cb -0.10 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2ipa s LYS 51 CO 0.04 0.69 -0.19 0.42 -0.36 0.00 0.00 175.35 175.94 2ipa s ILE 52 N -1.13 1.56 -0.05 5.43 1.01 -1.26 -1.08 121.20 125.68 2ipa s ILE 52 Ca 0.20 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 2ipa s ILE 52 Cb -0.12 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.05 2ipa s ILE 52 CO 0.11 0.44 -0.00 -0.69 0.00 0.00 0.00 174.94 174.80 2ipa s VAL 53 N -0.12 0.30 0.18 2.92 1.01 -0.29 -0.78 120.40 123.62 2ipa s VAL 53 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2ipa s VAL 53 Cb -0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2ipa s VAL 53 CO 0.02 0.21 0.31 -0.54 0.00 0.00 0.00 175.10 175.10 2ipa s LYS 54 N 1.48 3.44 -0.13 2.72 1.02 0.07 -0.73 119.74 127.62 2ipa s LYS 54 Ca -0.03 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2ipa s LYS 54 Cb -0.13 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2ipa s LYS 54 CO -0.03 0.49 -0.17 0.42 -0.92 0.00 0.00 175.35 175.14 2ipa s ILE 55 N -1.81 2.62 -0.60 2.17 -1.09 0.29 -0.64 121.20 122.15 2ipa s ILE 55 Ca 0.35 -0.80 -0.28 0.00 -2.23 0.00 0.00 60.65 57.68 2ipa s ILE 55 Cb -0.10 -2.08 0.03 0.00 -1.58 0.00 0.00 42.46 38.72 2ipa s ILE 55 CO 0.29 0.53 1.27 -0.62 -1.23 0.00 0.00 174.94 175.17 2ipa s ASP 56 N 0.55 6.32 -0.04 3.58 -1.08 -1.26 -2.60 116.67 122.15 2ipa s ASP 56 Ca -0.10 0.08 -0.01 0.00 -0.52 0.00 0.00 52.55 51.99 2ipa s ASP 56 Cb -0.16 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 2ipa s ASP 56 CO 0.04 -1.59 2.21 0.52 0.52 0.00 0.00 175.17 176.86 2ipa n VAL 57 N 6.68 2.21 0.00 1.11 0.31 -0.24 -1.00 118.33 127.40 2ipa n VAL 57 Ca 0.09 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2ipa n VAL 57 Cb 0.49 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 1.51 0.00 0.01 4.52 2.03 -1.26 -4.78 116.55 118.58 2ipa n ASP 58 Ca 0.09 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 2ipa n ASP 58 Cb 0.56 0.11 -0.14 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.11 -0.01 -0.67 4.81 -1.97 -3.40 114.58 113.46 2ipa h GLU 59 Ca 0.00 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2ipa h GLU 59 Cb 0.00 0.07 -0.27 0.00 0.63 0.00 0.00 28.75 29.18 2ipa h GLU 59 CO 0.00 0.83 -0.87 0.09 -0.73 0.00 0.00 179.01 178.33 2ipa n ASN 60 N -3.26 1.25 0.00 1.04 3.02 -0.17 -4.88 115.26 112.27 2ipa n ASN 60 Ca -0.17 -2.60 0.11 0.00 -0.03 0.00 0.00 54.58 51.89 2ipa n ASN 60 Cb 1.04 -0.37 0.62 0.00 -0.61 0.00 0.00 39.78 40.45 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 -0.02 0.48 -0.23 3.52 -0.00 -0.82 -4.15 117.38 116.16 2ipa n GLN 61 Ca 0.10 0.05 0.03 0.00 -0.00 0.00 0.00 57.00 57.18 2ipa n GLN 61 Cb 1.00 -1.50 0.15 0.00 -0.00 0.00 0.00 30.24 29.89 2ipa n GLN 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2ipa h GLU 62 N 0.00 0.39 0.00 2.61 4.39 -1.89 0.25 114.58 120.33 2ipa h GLU 62 Ca 0.00 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2ipa h GLU 62 Cb 0.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2ipa h GLU 62 CO 0.00 0.26 -0.18 1.15 -1.16 0.00 0.00 179.01 179.08 2ipa h THR 63 N 0.40 0.76 0.33 1.13 2.02 -1.79 0.28 112.91 116.04 2ipa h THR 63 Ca 0.37 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2ipa h THR 63 Cb 0.53 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2ipa h THR 63 CO -0.38 0.18 -0.16 0.00 0.37 0.00 0.00 175.52 175.53 2ipa h ALA 64 N 1.82 -0.70 -1.03 6.16 0.00 -0.80 -1.25 119.26 123.46 2ipa h ALA 64 Ca -0.00 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.08 2ipa h ALA 64 Cb 0.42 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 2ipa h ALA 64 CO 0.02 -0.66 0.63 0.78 0.00 0.00 0.00 179.25 180.02 2ipa h GLY 65 N -0.69 1.63 0.97 0.00 0.00 -1.46 0.15 103.07 103.67 2ipa h GLY 65 Ca -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2ipa h GLY 65 CO 0.08 -0.22 0.08 1.70 0.00 0.00 0.00 176.54 178.17 2ipa h LYS 66 N 0.48 0.18 0.00 4.80 3.64 -0.88 -1.68 116.57 123.11 2ipa h LYS 66 Ca 0.64 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2ipa h LYS 66 Cb 1.41 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2ipa h LYS 66 CO -0.41 0.16 0.00 0.66 -2.27 0.00 0.00 179.45 177.59 2ipa n TYR 67 N -4.97 0.58 -2.76 1.91 4.02 -0.48 -4.93 117.16 110.54 2ipa n TYR 67 Ca -0.05 0.21 -0.10 0.00 -0.01 0.00 0.00 57.90 57.95 2ipa n TYR 67 Cb 0.05 -0.83 0.05 0.00 -0.02 0.00 0.00 39.34 38.59 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 0.49 -0.30 0.13 2.72 0.00 -0.04 -4.98 105.19 103.21 2ipa n GLY 68 Ca 0.04 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2ipa n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ipa n VAL 69 N -2.80 1.63 -1.14 1.61 0.24 -1.00 -4.95 118.33 111.91 2ipa n VAL 69 Ca -0.10 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.69 2ipa n VAL 69 Cb 0.59 -1.76 -0.02 0.00 -1.47 0.00 0.00 33.84 31.18 2ipa n VAL 69 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2ipa n MET 70 N -3.77 -1.14 -4.17 7.34 0.00 -1.26 -4.89 117.12 109.23 2ipa n MET 70 Ca -0.38 0.32 -0.14 0.00 0.00 0.00 0.00 57.70 57.50 2ipa n MET 70 Cb 0.93 -4.40 -0.11 0.00 0.00 0.00 0.00 33.22 29.64 2ipa n MET 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2ipa s SER 71 N -1.45 1.35 -0.02 3.17 0.01 -1.26 -5.16 113.70 110.34 2ipa s SER 71 Ca 0.00 -0.82 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 2ipa s SER 71 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2ipa s SER 71 CO 0.00 -0.29 0.08 -0.63 0.41 0.00 0.00 173.24 172.81 2ipa s ILE 72 N -2.55 0.04 0.44 1.44 1.01 -1.26 -3.98 121.20 116.33 2ipa s ILE 72 Ca 0.05 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 2ipa s ILE 72 Cb -0.02 -0.21 -0.08 0.00 0.01 0.00 0.00 42.46 42.16 2ipa s ILE 72 CO -0.01 -0.16 1.23 -2.84 0.00 0.00 0.00 174.94 173.16 2ipa s PRO 73 N -0.49 3.79 -0.02 2.79 0.02 -1.26 -4.73 135.00 135.11 2ipa s PRO 73 Ca -0.06 1.96 0.05 0.00 0.02 0.00 0.00 61.00 62.97 2ipa s PRO 73 Cb -0.04 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 2ipa s PRO 73 CO 0.00 -0.57 -0.15 0.99 -0.33 0.00 0.00 177.00 176.94 2ipa s THR 74 N -1.40 3.04 -0.04 0.99 2.01 -1.08 -0.70 115.64 118.46 2ipa s THR 74 Ca 0.61 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.80 2ipa s THR 74 Cb -0.33 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2ipa s THR 74 CO 0.41 0.49 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.87 2ipa s LEU 75 N -1.02 1.98 -0.24 4.42 1.43 0.15 -0.77 118.68 124.63 2ipa s LEU 75 Ca 0.13 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2ipa s LEU 75 Cb -0.11 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.07 2ipa s LEU 75 CO 0.03 0.20 -0.04 -0.76 0.23 0.00 0.00 176.35 176.01 2ipa s LEU 76 N -0.11 2.61 -0.27 1.79 1.43 -0.27 -1.08 118.68 122.78 2ipa s LEU 76 Ca -0.02 -1.23 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 2ipa s LEU 76 Cb -0.12 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.94 2ipa s LEU 76 CO 0.02 -0.25 0.91 -0.69 0.23 0.00 0.00 176.35 176.57 2ipa s VAL 77 N 1.40 4.73 0.14 -1.59 1.01 0.11 -1.16 120.40 125.03 2ipa s VAL 77 Ca -0.04 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.61 2ipa s VAL 77 Cb -0.19 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2ipa s VAL 77 CO -0.07 -0.22 -0.19 -0.76 0.00 0.00 0.00 175.10 173.86 2ipa s LEU 78 N 3.10 2.65 -0.07 3.92 1.02 -0.22 -0.92 118.68 128.16 2ipa s LEU 78 Ca 0.38 -0.65 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 2ipa s LEU 78 Cb -0.14 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.64 2ipa s LEU 78 CO 0.10 0.15 0.27 -1.59 0.02 0.00 0.00 176.35 175.30 2ipa s LYS 79 N -2.35 0.44 -0.34 1.70 -2.85 0.13 -0.71 119.74 115.75 2ipa s LYS 79 Ca 0.19 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.29 2ipa s LYS 79 Cb -0.10 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2ipa s LYS 79 CO 0.10 -0.09 0.00 -3.47 0.10 0.00 0.00 175.35 172.00 2ipa n ASP 80 N 2.28 -1.77 0.00 0.03 2.03 0.19 -1.49 116.55 117.81 2ipa n ASP 80 Ca -0.17 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2ipa n ASP 80 Cb 0.57 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 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 -0.51 0.88 3.06 0.27 0.00 -0.80 -4.69 105.19 103.40 2ipa n GLY 81 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.91 0.57 0.31 1.61 -1.05 -0.56 -4.89 118.70 113.79 2ipa s GLU 82 Ca 0.00 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 53.86 2ipa s GLU 82 Cb 0.00 -0.42 -0.10 0.00 -0.44 0.00 0.00 34.13 33.18 2ipa s GLU 82 CO 0.00 0.09 1.16 0.54 0.95 0.00 0.00 175.26 178.00 2ipa s VAL 83 N -1.10 3.25 0.00 1.83 0.11 -1.26 -0.69 120.40 122.54 2ipa s VAL 83 Ca -0.06 1.23 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2ipa s VAL 83 Cb -0.08 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2ipa s VAL 83 CO 0.01 0.27 0.00 1.33 -3.33 0.00 0.00 175.10 173.37 2ipa n VAL 84 N 0.91 0.00 -3.90 2.04 0.24 -0.10 -4.91 118.33 112.61 2ipa n VAL 84 Ca -0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2ipa n VAL 84 Cb 0.44 0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.90 0.93 -0.05 7.34 0.41 -1.05 -5.01 118.70 120.36 2ipa s GLU 85 Ca 0.00 -1.04 -0.21 0.00 -0.41 0.00 0.00 54.97 53.30 2ipa s GLU 85 Cb 0.00 0.35 0.04 0.00 -1.78 0.00 0.00 34.13 32.74 2ipa s GLU 85 CO 0.00 -0.31 0.48 0.99 -0.49 0.00 0.00 175.26 175.93 2ipa s THR 86 N -3.90 0.03 -0.02 3.63 2.01 -1.26 -0.72 115.64 115.41 2ipa s THR 86 Ca 0.09 -0.23 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 2ipa s THR 86 Cb 0.05 -0.78 0.03 0.00 0.01 0.00 0.00 72.50 71.81 2ipa s THR 86 CO -0.07 -0.13 0.38 -0.44 -0.69 0.00 0.00 174.62 173.67 2ipa s SER 87 N -1.07 -0.28 -0.45 3.53 0.01 -0.24 -4.98 113.70 110.21 2ipa s SER 87 Ca -0.11 0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.43 2ipa s SER 87 Cb -0.03 0.36 0.32 0.00 0.21 0.00 0.00 66.02 66.87 2ipa s SER 87 CO 0.06 -0.49 0.74 1.33 0.41 0.00 0.00 173.24 175.30 2ipa n VAL 88 N 1.17 0.76 0.00 3.43 0.24 -1.26 -0.67 118.33 122.01 2ipa n VAL 88 Ca -0.21 -4.78 0.00 0.00 -2.04 0.00 0.00 64.34 57.31 2ipa n VAL 88 Cb 0.56 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 2ipa n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ipa n GLY 89 N 0.43 0.49 3.76 7.63 0.00 0.13 -4.83 105.19 112.80 2ipa n GLY 89 Ca 0.26 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 2.53 -0.05 1.61 5.36 -1.26 -4.59 117.98 119.58 2ipa s PHE 90 Ca 0.00 1.55 -0.06 0.00 -0.96 0.00 0.00 56.93 57.46 2ipa s PHE 90 Cb 0.00 -3.31 0.01 0.00 -0.34 0.00 0.00 43.02 39.39 2ipa s PHE 90 CO 0.00 -1.85 0.16 0.21 -1.46 0.00 0.00 175.22 172.27 2ipa s LYS 91 N -3.64 0.22 0.96 10.12 2.47 -1.26 -5.10 119.74 123.51 2ipa s LYS 91 Ca 0.72 0.15 -0.12 0.00 -1.56 0.00 0.00 55.97 55.15 2ipa s LYS 91 Cb -0.25 0.10 0.16 0.00 -1.46 0.00 0.00 37.83 36.39 2ipa s LYS 91 CO 0.35 -0.03 1.10 -1.25 0.16 0.00 0.00 175.35 175.68 2ipa s PRO 92 N -0.09 0.78 0.23 4.03 0.04 -1.26 -4.67 135.00 134.06 2ipa s PRO 92 Ca -0.02 0.55 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 2ipa s PRO 92 Cb -0.02 -1.77 0.40 0.00 0.04 0.00 0.00 34.50 33.14 2ipa s PRO 92 CO 0.00 -2.50 1.74 -0.22 0.04 0.00 0.00 177.00 176.06 2ipa h LYS 93 N -1.73 0.44 -0.28 4.56 3.11 -1.97 0.47 116.57 121.17 2ipa h LYS 93 Ca -0.53 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.20 2ipa h LYS 93 Cb 1.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 2ipa h LYS 93 CO 0.58 0.29 -0.17 0.93 -2.81 0.00 0.00 179.45 178.26 2ipa h GLU 94 N 0.45 0.61 -0.19 1.90 5.08 -1.98 -0.82 114.58 119.64 2ipa h GLU 94 Ca 0.38 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2ipa h GLU 94 Cb 0.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2ipa h GLU 94 CO -0.37 0.87 -0.24 0.00 -1.00 0.00 0.00 179.01 178.27 2ipa h ALA 95 N 0.73 1.24 0.36 3.43 0.00 -1.70 0.25 119.26 123.56 2ipa h ALA 95 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ipa h ALA 95 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ipa h ALA 95 CO 0.05 0.50 -0.17 1.25 0.00 0.00 0.00 179.25 180.88 2ipa h LEU 96 N 0.31 -0.41 -0.86 0.00 7.12 -0.71 -0.72 115.31 120.04 2ipa h LEU 96 Ca 0.05 -0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.97 2ipa h LEU 96 Cb 0.60 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.81 2ipa h LEU 96 CO 0.04 -0.25 0.10 0.06 -0.13 0.00 0.00 178.44 178.27 2ipa h GLN 97 N -0.54 0.95 -0.16 1.25 3.07 -0.90 -2.59 115.11 116.20 2ipa h GLN 97 Ca -0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 58.65 58.46 2ipa h GLN 97 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2ipa h GLN 97 CO 0.08 0.87 0.08 1.49 0.09 0.00 0.00 178.83 181.45 2ipa h GLU 98 N 0.90 0.22 -0.67 0.06 4.81 -0.87 0.68 114.58 119.72 2ipa h GLU 98 Ca 0.19 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2ipa h GLU 98 Cb 0.38 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 2ipa h GLU 98 CO 0.01 0.24 0.35 1.25 -0.73 0.00 0.00 179.01 180.12 2ipa h LEU 99 N 0.15 0.48 0.18 1.64 5.85 -0.75 -1.55 115.31 121.31 2ipa h LEU 99 Ca 0.05 0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.52 2ipa h LEU 99 Cb 0.08 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2ipa h LEU 99 CO -0.01 0.30 -1.35 1.62 -0.34 0.00 0.00 178.44 178.67 2ipa h VAL 100 N 0.62 1.41 -0.07 1.05 3.04 -1.45 -3.31 116.25 117.55 2ipa h VAL 100 Ca 0.31 -2.91 0.02 0.00 -1.01 0.00 0.00 66.70 63.11 2ipa h VAL 100 Cb 0.26 2.99 -0.00 0.00 -2.01 0.00 0.00 31.29 32.53 2ipa h VAL 100 CO -0.22 0.86 0.07 -1.13 -1.01 0.00 0.00 177.57 176.14 2ipa h ASN 101 N 0.11 0.00 -0.08 3.17 -1.24 -0.02 0.75 115.58 118.26 2ipa h ASN 101 Ca -0.19 0.00 0.02 0.00 0.71 0.00 0.00 56.30 56.85 2ipa h ASN 101 Cb 2.06 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.11 2ipa h ASN 101 CO 0.24 0.00 0.17 0.11 -1.29 0.00 0.00 177.43 176.66 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.40 -3.27 116.57 120.15 2ipa h LYS 102 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ipa h LYS 102 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ipa h LYS 102 CO -0.00 0.00 -0.43 0.72 -0.57 0.00 0.00 179.45 179.17 2ipa n HIS 103 N -3.38 0.00 1.05 -1.35 8.25 -0.08 -5.15 115.22 114.56 2ipa n HIS 103 Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 2ipa n HIS 103 Cb 0.26 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.87 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87