#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 -3.65 -2.83 3.04 0.00 -1.26 -4.79 120.51 111.02 2ipa n ALA 2 Ca 0.00 0.79 -0.44 0.00 0.00 0.00 0.00 53.44 53.79 2ipa n ALA 2 Cb 0.00 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.71 5.12 0.83 0.00 1.09 -1.26 -3.88 121.20 119.39 2ipa s ILE 3 Ca 0.00 -0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 58.55 2ipa s ILE 3 Cb 0.00 -4.18 0.09 0.00 -1.06 0.00 0.00 42.46 37.31 2ipa s ILE 3 CO 0.00 -0.65 1.17 -0.69 -0.10 0.00 0.00 174.94 174.67 2ipa s VAL 4 N 1.95 2.08 -0.20 2.92 1.01 0.23 -4.88 120.40 123.51 2ipa s VAL 4 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2ipa s VAL 4 Cb -0.23 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.22 2ipa s VAL 4 CO 0.08 -0.04 -0.12 -0.75 0.00 0.00 0.00 175.10 174.28 2ipa s LYS 5 N -5.50 2.19 0.81 2.72 2.47 -1.26 -0.60 119.74 120.56 2ipa s LYS 5 Ca 0.62 -0.90 -0.11 0.00 -1.56 0.00 0.00 55.97 54.01 2ipa s LYS 5 Cb -0.12 -2.49 0.09 0.00 -1.46 0.00 0.00 37.83 33.85 2ipa s LYS 5 CO 0.50 -0.41 1.17 0.00 0.16 0.00 0.00 175.35 176.77 2ipa s ALA 6 N 1.34 2.69 0.32 3.13 0.00 -0.17 -4.91 121.76 124.17 2ipa s ALA 6 Ca -0.01 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 2ipa s ALA 6 Cb -0.16 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2ipa s ALA 6 CO -0.08 -1.70 0.66 -0.08 0.00 0.00 0.00 175.76 174.55 2ipa s THR 7 N -3.56 0.00 0.23 0.00 -1.32 -1.26 -4.81 115.64 104.92 2ipa s THR 7 Ca 0.63 -1.18 0.12 0.00 -1.21 0.00 0.00 61.69 60.05 2ipa s THR 7 Cb -0.10 -2.46 0.23 0.00 -1.51 0.00 0.00 72.50 68.66 2ipa s THR 7 CO 0.49 0.00 1.00 -0.67 -2.21 0.00 0.00 174.62 173.23 2ipa n ASP 8 N -0.94 0.19 0.00 8.08 2.03 -1.26 -0.87 116.55 123.79 2ipa n ASP 8 Ca -0.04 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.32 2ipa n ASP 8 Cb 0.60 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -4.48 2.67 0.31 -0.67 6.02 -1.26 -4.62 117.38 115.35 2ipa n GLN 9 Ca 0.23 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.42 2ipa n GLN 9 Cb 0.79 -0.87 1.02 0.00 1.02 0.00 0.00 30.24 32.20 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 -0.38 1.08 0.02 -1.84 -1.71 113.55 110.72 2ipa h SER 10 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2ipa h SER 10 Cb 0.75 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 2ipa h SER 10 CO 0.00 0.02 -0.17 0.15 -1.14 0.00 0.00 176.83 175.68 2ipa h PHE 11 N 0.00 -0.43 -0.46 3.45 3.57 -1.28 -0.13 116.94 121.66 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 0.13 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2ipa h PHE 11 CO 0.00 -0.25 0.21 0.77 -2.23 0.00 0.00 178.31 176.81 2ipa h SER 12 N -0.10 0.61 -0.62 0.41 0.02 -1.59 -2.34 113.55 109.93 2ipa h SER 12 Ca 0.19 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2ipa h SER 12 Cb 0.39 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2ipa h SER 12 CO -0.45 0.58 0.27 0.00 -1.14 0.00 0.00 176.83 176.09 2ipa h ALA 13 N 1.05 1.25 0.00 3.77 0.00 -1.33 -0.53 119.26 123.48 2ipa h ALA 13 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ipa h ALA 13 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ipa h ALA 13 CO -0.02 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.18 2ipa n GLU 14 N -4.31 0.14 0.00 0.00 -0.58 -0.12 -3.92 120.64 111.86 2ipa n GLU 14 Ca 0.06 0.20 0.01 0.00 -0.42 0.00 0.00 57.16 57.01 2ipa n GLU 14 Cb 0.17 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.34 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 -1.96 0.00 1.00 2.62 -2.24 -0.54 -4.69 114.28 108.48 2ipa n THR 15 Ca 0.05 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2ipa n THR 15 Cb 0.33 1.02 0.56 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 -0.57 0.00 -3.98 3.42 7.64 -0.32 -2.80 113.62 117.02 2ipa n SER 16 Ca 0.01 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 2ipa n SER 16 Cb 0.03 -0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.74 0.54 3.18 1.43 2.02 -1.26 -3.15 118.70 118.73 2ipa s GLU 17 Ca 0.18 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2ipa s GLU 17 Cb 0.16 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2ipa s GLU 17 CO 0.39 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2ipa n GLY 18 N 0.74 0.47 3.26 -1.39 0.00 -1.26 -4.63 105.19 102.38 2ipa n GLY 18 Ca -0.19 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 2.22 -0.04 1.61 1.01 -1.26 -0.53 120.40 123.41 2ipa s VAL 19 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2ipa s VAL 19 Cb 0.00 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2ipa s VAL 19 CO 0.00 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.01 2ipa s VAL 20 N 0.20 0.02 -0.75 2.92 1.01 0.01 -2.65 120.40 121.17 2ipa s VAL 20 Ca -0.14 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2ipa s VAL 20 Cb -0.17 -0.23 0.14 0.00 0.00 0.00 0.00 36.38 36.12 2ipa s VAL 20 CO 0.07 0.18 0.85 -0.22 0.00 0.00 0.00 175.10 175.98 2ipa s LEU 21 N 1.90 5.60 0.36 3.92 2.96 -0.40 -0.95 118.68 132.08 2ipa s LEU 21 Ca 0.02 -1.90 -0.20 0.00 -0.22 0.00 0.00 54.13 51.83 2ipa s LEU 21 Cb -0.12 -2.31 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 2ipa s LEU 21 CO -0.03 -0.98 0.86 0.00 -1.32 0.00 0.00 176.35 174.88 2ipa s ALA 22 N 2.11 3.19 0.00 5.97 0.00 -0.20 -2.09 121.76 130.74 2ipa s ALA 22 Ca 0.19 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.41 2ipa s ALA 22 Cb -0.15 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2ipa s ALA 22 CO -0.02 0.22 0.03 0.34 0.00 0.00 0.00 175.76 176.33 2ipa s ASP 23 N -2.07 0.10 -0.17 0.00 2.15 0.26 -1.50 116.67 115.44 2ipa s ASP 23 Ca 0.56 -0.25 -0.01 0.00 0.43 0.00 0.00 52.55 53.29 2ipa s ASP 23 Cb -0.12 0.12 0.05 0.00 -0.30 0.00 0.00 42.92 42.67 2ipa s ASP 23 CO 0.17 -0.22 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.55 2ipa s PHE 24 N -0.96 1.68 0.25 -5.34 0.40 0.05 -0.74 117.98 113.32 2ipa s PHE 24 Ca -0.10 -1.11 0.08 0.00 -0.60 0.00 0.00 56.93 55.20 2ipa s PHE 24 Cb -0.06 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 2ipa s PHE 24 CO -0.00 -0.63 -0.13 1.67 0.70 0.00 0.00 175.22 176.84 2ipa s TRP 25 N 1.64 1.94 0.12 0.36 1.48 -0.90 -2.45 118.94 121.13 2ipa s TRP 25 Ca -0.00 -0.56 -0.25 0.00 -1.06 0.00 0.00 56.10 54.23 2ipa s TRP 25 Cb -0.16 -0.96 0.08 0.00 -1.16 0.00 0.00 33.47 31.26 2ipa s TRP 25 CO -0.07 0.42 0.66 0.00 -4.06 0.00 0.00 176.95 173.89 2ipa s ALA 26 N -2.87 -1.65 0.58 2.67 0.00 -1.26 -3.11 121.76 116.12 2ipa s ALA 26 Ca 0.27 0.64 0.28 0.00 0.00 0.00 0.00 51.96 53.15 2ipa s ALA 26 Cb -0.00 0.74 1.54 0.00 0.00 0.00 0.00 23.12 25.40 2ipa s ALA 26 CO 0.11 -0.73 1.99 -1.35 0.00 0.00 0.00 175.76 175.78 2ipa h PRO 27 N 2.06 0.00 -0.92 0.00 0.11 -2.01 -3.30 132.00 127.95 2ipa h PRO 27 Ca -0.31 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.03 2ipa h PRO 27 Cb 1.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 2ipa h PRO 27 CO 0.37 0.00 0.62 -1.49 -0.21 0.00 0.00 178.00 177.29 2ipa h TRP 28 N 0.00 0.37 -3.38 0.65 4.06 -2.03 -3.45 115.95 112.17 2ipa h TRP 28 Ca 0.17 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 2ipa h TRP 28 Cb 0.87 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.83 2ipa h TRP 28 CO 0.00 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 174.96 2ipa h GLY 30 N 2.20 0.64 0.58 0.00 0.00 -1.90 -3.05 103.07 101.53 2ipa h GLY 30 Ca -0.27 -0.22 0.20 0.00 0.00 0.00 0.00 47.33 47.04 2ipa h GLY 30 CO 0.35 0.21 0.51 -2.55 0.00 0.00 0.00 176.54 175.07 2ipa h PRO 31 N 0.59 0.00 0.00 4.80 0.11 -1.96 0.71 132.00 136.25 2ipa h PRO 31 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2ipa h PRO 31 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2ipa h PRO 31 CO -0.05 0.00 0.03 0.77 -0.21 0.00 0.00 178.00 178.54 2ipa h SER 32 N 0.00 0.00 -0.20 -2.05 0.02 -1.79 0.33 113.55 109.85 2ipa h SER 32 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2ipa h SER 32 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2ipa h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2ipa n LYS 33 N -2.86 2.79 0.00 3.45 4.01 0.23 -3.93 118.16 121.85 2ipa n LYS 33 Ca -0.03 -2.05 0.00 0.00 -0.51 0.00 0.00 58.31 55.72 2ipa n LYS 33 Cb 0.09 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.32 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 -0.09 0.00 -0.24 1.97 2.81 -0.29 -4.55 117.12 116.73 2ipa n MET 34 Ca 0.10 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 2ipa n MET 34 Cb 0.46 -0.77 0.20 0.00 -0.71 0.00 0.00 33.22 32.40 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 1.21 0.45 2.02 6.09 -0.67 -2.28 117.51 124.33 2ipa h ILE 35 Ca 0.00 -0.46 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 2ipa h ILE 35 Cb 0.92 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.31 2ipa h ILE 35 CO 0.00 0.22 -0.41 0.00 -3.07 0.00 0.00 178.15 174.89 2ipa h ALA 36 N 1.46 -0.93 -0.94 0.18 0.00 -1.72 0.68 119.26 117.99 2ipa h ALA 36 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ipa h ALA 36 Cb -0.05 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2ipa h ALA 36 CO -0.05 -1.06 0.58 -1.00 0.00 0.00 0.00 179.25 177.72 2ipa h PRO 37 N -0.87 1.27 -0.97 0.00 0.13 -1.79 -2.38 132.00 127.39 2ipa h PRO 37 Ca -0.04 -0.11 0.11 0.00 -0.87 0.00 0.00 66.00 65.08 2ipa h PRO 37 Cb 0.76 -0.27 -0.08 0.00 0.13 0.00 0.00 31.00 31.54 2ipa h PRO 37 CO -0.04 0.88 0.60 0.28 -0.23 0.00 0.00 178.00 179.49 2ipa h VAL 38 N 1.29 0.95 -0.27 1.56 2.07 -0.98 0.27 116.25 121.14 2ipa h VAL 38 Ca 0.34 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2ipa h VAL 38 Cb -0.07 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 2ipa h VAL 38 CO -0.07 0.18 -0.14 -0.07 0.02 0.00 0.00 177.57 177.50 2ipa h LEU 39 N 0.99 0.58 -0.95 2.57 3.38 -0.37 -1.09 115.31 120.42 2ipa h LEU 39 Ca 0.47 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ipa h LEU 39 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2ipa h LEU 39 CO -0.25 0.87 0.16 -0.33 0.09 0.00 0.00 178.44 178.98 2ipa h GLU 40 N 0.30 0.92 0.00 1.13 5.08 -1.03 0.12 114.58 121.11 2ipa h GLU 40 Ca 0.06 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ipa h GLU 40 Cb 0.65 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ipa h GLU 40 CO 0.04 0.81 0.00 0.93 -1.00 0.00 0.00 179.01 179.80 2ipa h GLU 41 N 0.89 0.00 0.13 2.33 4.39 -0.85 -1.75 114.58 119.73 2ipa h GLU 41 Ca 0.20 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.70 2ipa h GLU 41 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2ipa h GLU 41 CO -0.00 0.00 -0.87 1.25 -1.16 0.00 0.00 179.01 178.23 2ipa h LEU 42 N 0.00 0.44 -0.77 1.33 5.85 -0.26 -3.27 115.31 118.63 2ipa h LEU 42 Ca 0.00 -0.94 -0.13 0.00 0.84 0.00 0.00 57.88 57.66 2ipa h LEU 42 Cb 0.62 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2ipa h LEU 42 CO 0.00 1.41 -0.44 -0.78 -0.34 0.00 0.00 178.44 178.29 2ipa h ASP 43 N -0.39 0.42 0.06 1.25 3.58 -0.90 0.55 116.42 120.99 2ipa h ASP 43 Ca -0.16 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.09 2ipa h ASP 43 Cb 1.64 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.57 2ipa h ASP 43 CO 0.13 0.81 -0.02 1.56 -2.88 0.00 0.00 179.24 178.84 2ipa h GLN 44 N 0.32 0.00 0.02 0.28 4.20 -1.46 0.14 115.11 118.61 2ipa h GLN 44 Ca 0.02 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.34 2ipa h GLN 44 Cb 0.91 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.63 2ipa h GLN 44 CO 0.08 0.02 -2.28 -1.91 -0.67 0.00 0.00 178.83 174.07 2ipa n GLU 45 N -3.76 0.64 -0.21 1.46 2.13 -0.54 -4.76 120.64 115.59 2ipa n GLU 45 Ca -0.03 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2ipa n GLU 45 Cb 0.11 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 -3.75 0.06 0.00 5.31 0.00 0.08 -4.79 117.12 114.03 2ipa n MET 46 Ca -0.45 -0.75 0.04 0.00 0.00 0.00 0.00 57.70 56.55 2ipa n MET 46 Cb 0.93 -0.52 0.22 0.00 0.00 0.00 0.00 33.22 33.86 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 -0.02 -0.54 0.26 3.17 0.00 0.48 -1.32 105.19 107.22 2ipa n GLY 47 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.50 116.42 120.24 2ipa h ASP 48 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 2ipa h ASP 48 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2ipa h ASP 48 CO 0.00 0.12 -1.45 0.29 -2.88 0.00 0.00 179.24 175.32 2ipa n LYS 49 N -3.56 2.06 -4.30 0.28 4.01 -0.43 -4.95 118.16 111.27 2ipa n LYS 49 Ca -0.02 -0.02 -0.29 0.00 -0.51 0.00 0.00 58.31 57.47 2ipa n LYS 49 Cb 0.26 -1.19 -0.11 0.00 -0.51 0.00 0.00 35.03 33.48 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 -4.24 2.75 0.10 -0.35 2.96 -0.97 -4.65 118.68 114.28 2ipa s LEU 50 Ca -0.03 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2ipa s LEU 50 Cb 0.03 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2ipa s LEU 50 CO 0.30 0.16 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.55 2ipa s LYS 51 N -2.30 1.80 0.02 1.98 2.20 -1.09 -0.43 119.74 121.92 2ipa s LYS 51 Ca 0.19 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 54.71 2ipa s LYS 51 Cb -0.10 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 2ipa s LYS 51 CO 0.11 0.49 -0.16 0.42 -0.36 0.00 0.00 175.35 175.85 2ipa s ILE 52 N -1.06 1.31 -0.05 5.43 1.01 -1.25 -1.27 121.20 125.32 2ipa s ILE 52 Ca 0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2ipa s ILE 52 Cb -0.10 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.26 2ipa s ILE 52 CO 0.08 0.18 0.08 -0.69 0.00 0.00 0.00 174.94 174.58 2ipa s VAL 53 N -0.67 -0.13 0.37 2.92 1.01 -0.89 -0.60 120.40 122.41 2ipa s VAL 53 Ca 0.05 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2ipa s VAL 53 Cb -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 2ipa s VAL 53 CO 0.01 0.17 0.72 -0.54 0.00 0.00 0.00 175.10 175.46 2ipa s LYS 54 N 2.17 3.78 -0.17 2.72 -0.14 0.23 -0.57 119.74 127.75 2ipa s LYS 54 Ca 0.04 0.40 -0.00 0.00 -1.36 0.00 0.00 55.97 55.06 2ipa s LYS 54 Cb -0.12 -2.45 0.04 0.00 -1.68 0.00 0.00 37.83 33.63 2ipa s LYS 54 CO -0.03 0.04 -0.06 0.42 -0.76 0.00 0.00 175.35 174.95 2ipa s ILE 55 N -2.27 1.23 -1.00 2.17 -1.09 0.08 -1.00 121.20 119.31 2ipa s ILE 55 Ca 0.50 -0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 58.03 2ipa s ILE 55 Cb -0.10 -1.38 0.13 0.00 -1.58 0.00 0.00 42.46 39.52 2ipa s ILE 55 CO 0.29 0.14 1.24 -0.62 -1.23 0.00 0.00 174.94 174.76 2ipa s ASP 56 N 1.58 6.70 0.31 3.58 2.15 -1.26 -2.12 116.67 127.61 2ipa s ASP 56 Ca 0.00 -2.17 0.05 0.00 0.43 0.00 0.00 52.55 50.86 2ipa s ASP 56 Cb -0.15 -2.42 0.84 0.00 -0.30 0.00 0.00 42.92 40.88 2ipa s ASP 56 CO -0.08 -1.05 1.61 -0.37 -0.17 0.00 0.00 175.17 175.10 2ipa h VAL 57 N 5.71 0.15 0.00 1.11 -1.51 -1.83 0.18 116.25 120.06 2ipa h VAL 57 Ca 0.20 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.63 2ipa h VAL 57 Cb 0.99 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2ipa h VAL 57 CO 1.18 0.02 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.74 2ipa h ASP 58 N 0.10 0.00 0.00 4.19 3.58 -1.92 0.18 116.42 122.55 2ipa h ASP 58 Ca 0.62 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.86 2ipa h ASP 58 Cb 1.35 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.36 2ipa h ASP 58 CO -0.78 0.01 -1.80 1.21 -2.88 0.00 0.00 179.24 175.01 2ipa n GLU 59 N -3.63 2.06 -0.86 0.28 2.13 -0.42 -4.83 120.64 115.36 2ipa n GLU 59 Ca -0.03 -0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.82 2ipa n GLU 59 Cb 0.10 -1.30 0.05 0.00 0.27 0.00 0.00 31.44 30.56 2ipa n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2ipa n ASN 60 N -2.44 0.84 0.00 4.31 3.02 0.50 -4.80 115.26 116.69 2ipa n ASN 60 Ca -0.19 -2.33 0.05 0.00 -0.03 0.00 0.00 54.58 52.08 2ipa n ASN 60 Cb 0.88 -0.30 0.25 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.08 0.14 0.06 3.52 10.64 0.57 -2.21 117.38 130.02 2ipa n GLN 61 Ca 0.06 0.19 0.19 0.00 -1.83 0.00 0.00 57.00 55.62 2ipa n GLN 61 Cb 0.87 -1.50 0.73 0.00 -0.86 0.00 0.00 30.24 29.48 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 -0.02 2.61 5.08 -1.87 0.52 114.58 120.90 2ipa h GLU 62 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2ipa h GLU 62 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2ipa h GLU 62 CO 0.00 0.00 -0.29 1.15 -1.00 0.00 0.00 179.01 178.87 2ipa h THR 63 N 0.00 1.50 0.00 1.13 2.02 -1.70 -3.31 112.91 112.54 2ipa h THR 63 Ca 0.20 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.53 2ipa h THR 63 Cb 0.91 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2ipa h THR 63 CO -0.00 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.41 2ipa n ALA 64 N -2.52 -0.32 -0.33 6.16 0.00 -0.03 -1.42 120.51 122.04 2ipa n ALA 64 Ca -0.09 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.54 2ipa n ALA 64 Cb 0.51 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.35 2ipa n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ipa h GLY 65 N 0.00 1.84 0.93 0.00 0.00 -0.74 -0.08 103.07 105.02 2ipa h GLY 65 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2ipa h GLY 65 CO 0.00 -0.37 0.08 1.70 0.00 0.00 0.00 176.54 177.95 2ipa h LYS 66 N 0.39 0.62 -0.64 4.80 3.64 -1.64 -2.79 116.57 120.95 2ipa h LYS 66 Ca 0.66 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.81 2ipa h LYS 66 Cb 1.38 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 2ipa h LYS 66 CO -0.57 0.66 0.11 -0.92 -2.27 0.00 0.00 179.45 176.47 2ipa h TYR 67 N 0.47 1.11 0.00 1.91 5.03 0.04 -3.47 116.97 122.07 2ipa h TYR 67 Ca 0.12 -0.15 0.00 0.00 2.58 0.00 0.00 58.73 61.28 2ipa h TYR 67 Cb 0.33 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2ipa h TYR 67 CO 0.02 0.94 0.00 0.41 -1.32 0.00 0.00 178.16 178.21 2ipa n GLY 68 N -0.58 0.62 2.79 1.82 0.00 -0.19 -5.11 105.19 104.54 2ipa n GLY 68 Ca 0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.38 -0.08 0.00 1.61 1.01 -0.58 -4.95 120.40 117.03 2ipa s VAL 69 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2ipa s VAL 69 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2ipa s VAL 69 CO 0.00 0.11 0.79 1.15 0.00 0.00 0.00 175.10 177.15 2ipa n MET 70 N 4.48 0.00 -4.17 2.72 0.00 -1.26 -2.62 117.12 116.27 2ipa n MET 70 Ca -0.21 -0.62 -0.11 0.00 0.00 0.00 0.00 57.70 56.75 2ipa n MET 70 Cb 0.50 -0.32 -0.09 0.00 0.00 0.00 0.00 33.22 33.31 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 -0.60 0.12 0.02 3.17 0.01 -1.26 -5.15 113.70 110.00 2ipa s SER 71 Ca 0.00 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 55.96 2ipa s SER 71 Cb 0.00 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 2ipa s SER 71 CO 0.00 -0.88 -0.04 -0.63 0.41 0.00 0.00 173.24 172.09 2ipa s ILE 72 N -4.13 0.28 0.11 1.44 -1.09 -1.26 -3.90 121.20 112.64 2ipa s ILE 72 Ca 0.36 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.91 2ipa s ILE 72 Cb 0.06 -0.32 -0.06 0.00 -1.58 0.00 0.00 42.46 40.56 2ipa s ILE 72 CO 0.11 -0.20 0.96 -2.16 -1.23 0.00 0.00 174.94 172.42 2ipa s PRO 73 N -0.82 4.69 0.01 2.79 0.04 -1.26 -4.66 135.00 135.79 2ipa s PRO 73 Ca -0.06 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2ipa s PRO 73 Cb -0.06 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2ipa s PRO 73 CO -0.00 0.21 0.14 0.99 0.04 0.00 0.00 177.00 178.38 2ipa s THR 74 N 0.00 5.08 -0.03 1.26 2.01 -1.02 -0.93 115.64 122.00 2ipa s THR 74 Ca 0.47 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2ipa s THR 74 Cb -0.23 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 2ipa s THR 74 CO 0.30 0.29 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.56 2ipa s LEU 75 N -1.97 2.00 -0.22 4.42 1.43 0.13 -0.77 118.68 123.71 2ipa s LEU 75 Ca 0.27 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2ipa s LEU 75 Cb -0.12 -1.09 0.05 0.00 0.03 0.00 0.00 46.19 45.06 2ipa s LEU 75 CO 0.18 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 176.14 2ipa s LEU 76 N -0.24 2.42 -0.28 1.79 1.43 -0.56 -1.47 118.68 121.77 2ipa s LEU 76 Ca 0.02 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 2ipa s LEU 76 Cb -0.10 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 2ipa s LEU 76 CO 0.01 -0.19 0.18 -0.69 0.23 0.00 0.00 176.35 175.89 2ipa s VAL 77 N 1.39 5.20 0.16 -1.59 1.01 -0.00 -1.03 120.40 125.53 2ipa s VAL 77 Ca -0.04 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.15 2ipa s VAL 77 Cb -0.17 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2ipa s VAL 77 CO -0.07 0.24 -0.24 -0.76 0.00 0.00 0.00 175.10 174.26 2ipa s LEU 78 N 1.74 2.43 -0.01 3.92 1.02 -0.12 -1.07 118.68 126.58 2ipa s LEU 78 Ca 0.07 -0.78 0.01 0.00 0.02 0.00 0.00 54.13 53.45 2ipa s LEU 78 Cb -0.16 -1.24 0.01 0.00 0.02 0.00 0.00 46.19 44.82 2ipa s LEU 78 CO 0.10 0.15 -0.03 -1.59 0.02 0.00 0.00 176.35 175.00 2ipa s LYS 79 N -2.37 0.39 -0.30 1.70 0.00 -0.02 -0.81 119.74 118.34 2ipa s LYS 79 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.06 2ipa s LYS 79 Cb -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 37.83 37.31 2ipa s LYS 79 CO 0.08 0.01 0.00 -3.47 0.00 0.00 0.00 175.35 171.98 2ipa n ASP 80 N 3.40 -1.61 0.00 0.03 2.03 0.31 -1.07 116.55 119.66 2ipa n ASP 80 Ca -0.18 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2ipa n ASP 80 Cb 0.55 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 -0.48 0.75 3.13 0.27 0.00 -1.12 -4.68 105.19 103.05 2ipa n GLY 81 Ca -0.04 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.79 0.98 0.27 1.61 -1.05 -0.23 -4.93 118.70 114.56 2ipa s GLU 82 Ca 0.00 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.86 2ipa s GLU 82 Cb 0.00 -0.97 -0.09 0.00 -0.44 0.00 0.00 34.13 32.62 2ipa s GLU 82 CO 0.00 0.25 1.11 0.08 0.95 0.00 0.00 175.26 177.65 2ipa s VAL 83 N -0.68 3.48 0.00 1.83 1.01 -1.26 -0.84 120.40 123.94 2ipa s VAL 83 Ca 0.03 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2ipa s VAL 83 Cb -0.07 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2ipa s VAL 83 CO 0.01 0.34 0.00 1.33 0.00 0.00 0.00 175.10 176.77 2ipa n VAL 84 N 1.34 0.00 -3.99 2.92 0.24 -0.24 -4.92 118.33 113.69 2ipa n VAL 84 Ca -0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.21 2ipa n VAL 84 Cb 0.45 0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.07 0.79 -0.09 7.34 0.41 -1.05 -5.03 118.70 120.01 2ipa s GLU 85 Ca 0.00 -1.13 -0.23 0.00 -0.41 0.00 0.00 54.97 53.20 2ipa s GLU 85 Cb 0.00 0.28 0.05 0.00 -1.78 0.00 0.00 34.13 32.69 2ipa s GLU 85 CO 0.00 -0.22 0.54 0.99 -0.49 0.00 0.00 175.26 176.08 2ipa s THR 86 N -3.91 0.02 -0.03 3.63 2.01 -1.26 -0.82 115.64 115.27 2ipa s THR 86 Ca 0.09 -0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 2ipa s THR 86 Cb 0.06 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.78 2ipa s THR 86 CO -0.08 -0.07 0.45 -0.44 -0.69 0.00 0.00 174.62 173.78 2ipa s SER 87 N -0.80 -0.36 -0.46 3.53 0.01 -0.54 -4.97 113.70 110.11 2ipa s SER 87 Ca -0.09 0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.57 2ipa s SER 87 Cb -0.03 0.40 0.26 0.00 0.21 0.00 0.00 66.02 66.86 2ipa s SER 87 CO 0.06 -0.51 0.61 0.52 0.41 0.00 0.00 173.24 174.34 2ipa n VAL 88 N 1.15 0.31 0.00 3.43 0.31 -1.26 -0.69 118.33 121.58 2ipa n VAL 88 Ca -0.21 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.68 2ipa n VAL 88 Cb 0.56 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 1.11 2.04 3.78 2.92 0.00 -0.11 -4.85 105.19 110.08 2ipa n GLY 89 Ca 0.24 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipa s PHE 90 N -2.00 2.70 -0.14 1.61 -0.12 -1.26 -4.71 117.98 114.06 2ipa s PHE 90 Ca 0.00 1.24 -0.11 0.00 -0.05 0.00 0.00 56.93 58.01 2ipa s PHE 90 Cb 0.00 -3.10 0.04 0.00 -0.63 0.00 0.00 43.02 39.33 2ipa s PHE 90 CO 0.00 -1.88 0.36 0.15 -0.05 0.00 0.00 175.22 173.79 2ipa s LYS 91 N -5.07 0.38 0.98 1.99 1.02 -1.26 -5.10 119.74 112.69 2ipa s LYS 91 Ca 0.61 0.58 -0.12 0.00 0.02 0.00 0.00 55.97 57.06 2ipa s LYS 91 Cb -0.15 0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.43 2ipa s LYS 91 CO 0.55 -0.09 1.09 -1.25 -0.92 0.00 0.00 175.35 174.72 2ipa s PRO 92 N 0.66 0.55 0.32 -1.68 0.04 -1.26 -4.67 135.00 128.97 2ipa s PRO 92 Ca -0.04 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2ipa s PRO 92 Cb -0.05 -1.74 0.57 0.00 0.04 0.00 0.00 34.50 33.32 2ipa s PRO 92 CO -0.04 -2.69 1.95 -0.22 0.04 0.00 0.00 177.00 176.04 2ipa h LYS 93 N -1.87 0.94 -0.23 4.56 3.11 -1.97 0.11 116.57 121.22 2ipa h LYS 93 Ca -0.53 -0.06 -0.10 0.00 -2.81 0.00 0.00 60.65 57.15 2ipa h LYS 93 Cb 1.31 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 2ipa h LYS 93 CO 0.55 0.62 -0.25 0.93 -2.81 0.00 0.00 179.45 178.50 2ipa h GLU 94 N 0.97 0.57 -0.48 1.90 5.08 -1.98 -0.13 114.58 120.51 2ipa h GLU 94 Ca 0.34 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2ipa h GLU 94 Cb 0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ipa h GLU 94 CO -0.11 0.90 0.21 0.00 -1.00 0.00 0.00 179.01 179.01 2ipa h ALA 95 N 0.66 1.46 -0.05 3.43 0.00 -1.69 0.61 119.26 123.68 2ipa h ALA 95 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ipa h ALA 95 Cb 0.81 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ipa h ALA 95 CO 0.06 0.42 -0.07 1.25 0.00 0.00 0.00 179.25 180.91 2ipa h LEU 96 N 0.68 0.15 -1.16 0.00 5.85 -0.58 0.07 115.31 120.33 2ipa h LEU 96 Ca 0.17 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2ipa h LEU 96 Cb 0.11 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2ipa h LEU 96 CO -0.02 0.65 0.41 0.06 -0.34 0.00 0.00 178.44 179.20 2ipa h GLN 97 N -0.35 0.99 -0.15 1.25 3.07 -0.92 -2.62 115.11 116.39 2ipa h GLN 97 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.64 2ipa h GLN 97 Cb 0.62 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2ipa h GLN 97 CO 0.02 0.71 0.08 1.49 0.09 0.00 0.00 178.83 181.23 2ipa h GLU 98 N 1.00 0.20 -0.84 0.06 4.81 -0.60 0.18 114.58 119.39 2ipa h GLU 98 Ca 0.26 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.57 2ipa h GLU 98 Cb 0.00 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.26 2ipa h GLU 98 CO -0.04 0.19 0.48 1.25 -0.73 0.00 0.00 179.01 180.16 2ipa h LEU 99 N 0.15 0.66 0.09 1.64 5.85 -0.62 -2.83 115.31 120.25 2ipa h LEU 99 Ca 0.05 0.06 -0.35 0.00 0.84 0.00 0.00 57.88 58.48 2ipa h LEU 99 Cb 0.05 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2ipa h LEU 99 CO -0.01 0.36 -1.93 0.55 -0.34 0.00 0.00 178.44 177.07 2ipa n VAL 100 N -4.76 1.73 0.32 1.05 3.14 -1.05 -4.18 118.33 114.57 2ipa n VAL 100 Ca 0.15 -0.70 0.19 0.00 -2.96 0.00 0.00 64.34 61.03 2ipa n VAL 100 Cb 0.32 -1.52 1.07 0.00 -1.06 0.00 0.00 33.84 32.64 2ipa n VAL 100 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2ipa h ASN 101 N 0.05 0.00 0.56 6.55 -0.00 -0.40 0.77 115.58 123.11 2ipa h ASN 101 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.91 2ipa h ASN 101 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.35 2ipa h ASN 101 CO 0.08 0.01 0.00 2.29 -0.00 0.00 0.00 177.43 179.81 2ipa n LYS 102 N -3.35 0.39 0.00 4.14 2.85 -1.11 -3.85 118.16 117.22 2ipa n LYS 102 Ca -0.03 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2ipa n LYS 102 Cb 0.10 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2ipa n LYS 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2ipa n HIS 103 N -1.30 0.00 0.00 5.58 8.25 -0.37 -5.16 115.22 122.23 2ipa n HIS 103 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2ipa n HIS 103 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87