#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 -0.44 -0.79 3.04 0.00 -1.26 -5.01 121.76 117.29 2ipa s ALA 2 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 2ipa s ALA 2 Cb 0.00 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.21 2ipa s ALA 2 CO 0.00 -0.89 1.18 0.42 0.00 0.00 0.00 175.76 176.47 2ipa s ILE 3 N -3.99 4.10 0.82 0.00 1.09 -1.26 -3.16 121.20 118.80 2ipa s ILE 3 Ca 0.20 -0.34 -0.12 0.00 -1.10 0.00 0.00 60.65 59.29 2ipa s ILE 3 Cb -0.02 -4.84 0.08 0.00 -1.06 0.00 0.00 42.46 36.62 2ipa s ILE 3 CO 0.09 -1.69 1.13 -0.69 -0.10 0.00 0.00 174.94 173.68 2ipa s VAL 4 N 4.60 2.55 -0.15 2.92 1.01 0.01 -4.90 120.40 126.43 2ipa s VAL 4 Ca 0.32 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2ipa s VAL 4 Cb -0.09 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2ipa s VAL 4 CO 0.05 -0.23 -0.15 -1.59 0.00 0.00 0.00 175.10 173.18 2ipa s LYS 5 N -5.33 2.44 0.73 2.72 -2.85 -1.26 -0.64 119.74 115.55 2ipa s LYS 5 Ca 0.62 -0.61 -0.08 0.00 -1.00 0.00 0.00 55.97 54.89 2ipa s LYS 5 Cb -0.13 -2.19 0.06 0.00 -2.06 0.00 0.00 37.83 33.51 2ipa s LYS 5 CO 0.52 -0.22 1.06 0.00 0.10 0.00 0.00 175.35 176.81 2ipa s ALA 6 N 1.42 3.00 0.00 0.59 0.00 0.20 -4.89 121.76 122.09 2ipa s ALA 6 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2ipa s ALA 6 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2ipa s ALA 6 CO -0.11 -1.37 0.00 0.25 0.00 0.00 0.00 175.76 174.54 2ipa n THR 7 N -3.02 0.00 -0.13 0.00 -2.24 -1.26 -4.74 114.28 102.89 2ipa n THR 7 Ca 0.08 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 62.13 2ipa n THR 7 Cb 0.60 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.94 -3.07 116.42 118.41 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 -0.17 0.00 -2.88 0.00 0.00 179.24 176.19 2ipa n GLN 9 N -3.76 0.61 0.31 0.28 6.02 -1.26 -4.62 117.38 114.95 2ipa n GLN 9 Ca 0.17 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.37 2ipa n GLN 9 Cb 1.05 -0.59 1.00 0.00 1.02 0.00 0.00 30.24 32.73 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 0.14 1.08 0.02 -1.92 -2.00 113.55 110.87 2ipa h SER 10 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2ipa h SER 10 Cb 0.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2ipa h SER 10 CO 0.00 0.01 -0.46 0.15 -1.14 0.00 0.00 176.83 175.39 2ipa h PHE 11 N 0.00 -1.30 -0.58 3.45 3.57 -1.85 -0.92 116.94 119.32 2ipa h PHE 11 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2ipa h PHE 11 Cb 0.20 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2ipa h PHE 11 CO 0.00 -0.55 0.27 0.77 -2.23 0.00 0.00 178.31 176.56 2ipa h SER 12 N -0.70 0.76 -0.55 0.41 0.02 -1.68 -2.14 113.55 109.68 2ipa h SER 12 Ca 0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2ipa h SER 12 Cb 0.72 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2ipa h SER 12 CO -0.25 0.69 0.25 0.00 -1.14 0.00 0.00 176.83 176.38 2ipa h ALA 13 N 1.10 1.34 0.00 3.77 0.00 -1.30 -1.32 119.26 122.85 2ipa h ALA 13 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ipa h ALA 13 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ipa h ALA 13 CO -0.02 0.50 -0.11 0.93 0.00 0.00 0.00 179.25 180.55 2ipa h GLU 14 N 0.84 0.00 -0.01 0.00 4.39 -0.90 -3.37 114.58 115.53 2ipa h GLU 14 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2ipa h GLU 14 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2ipa h GLU 14 CO -0.02 0.00 -0.12 0.25 -1.16 0.00 0.00 179.01 177.96 2ipa n THR 15 N -2.45 0.00 1.03 1.13 -2.24 -0.65 -4.61 114.28 106.50 2ipa n THR 15 Ca 0.05 -0.44 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2ipa n THR 15 Cb 0.46 1.08 0.54 0.00 -2.10 0.00 0.00 70.33 70.31 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 -0.25 0.00 -3.98 3.42 7.64 -0.59 -2.44 113.62 117.42 2ipa n SER 16 Ca 0.03 -0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.69 2ipa n SER 16 Cb 0.14 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.46 0.61 2.31 1.43 2.02 -1.26 -3.39 118.70 117.97 2ipa s GLU 17 Ca 0.22 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2ipa s GLU 17 Cb 0.14 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2ipa s GLU 17 CO 0.30 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2ipa n GLY 18 N 0.49 -0.40 3.44 -1.39 0.00 -1.26 -4.53 105.19 101.54 2ipa n GLY 18 Ca -0.17 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 3.17 -0.00 1.61 1.01 -1.26 -0.60 120.40 124.32 2ipa s VAL 19 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2ipa s VAL 19 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2ipa s VAL 19 CO 0.00 0.56 0.14 0.54 0.00 0.00 0.00 175.10 176.34 2ipa s VAL 20 N -0.20 0.08 -0.34 2.92 0.11 -0.47 -2.84 120.40 119.66 2ipa s VAL 20 Ca 0.01 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.45 2ipa s VAL 20 Cb -0.13 -0.42 0.10 0.00 -1.53 0.00 0.00 36.38 34.39 2ipa s VAL 20 CO 0.03 -0.35 0.06 -0.22 -3.33 0.00 0.00 175.10 171.29 2ipa s LEU 21 N -1.27 4.73 0.13 2.54 2.96 -0.45 -1.04 118.68 126.28 2ipa s LEU 21 Ca -0.14 -2.07 -0.14 0.00 -0.22 0.00 0.00 54.13 51.56 2ipa s LEU 21 Cb -0.07 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 2ipa s LEU 21 CO 0.02 -0.39 0.53 0.00 -1.32 0.00 0.00 176.35 175.19 2ipa s ALA 22 N 0.95 3.60 0.02 5.97 0.00 0.03 -1.27 121.76 131.07 2ipa s ALA 22 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2ipa s ALA 22 Cb -0.20 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2ipa s ALA 22 CO -0.07 0.47 -0.03 0.34 0.00 0.00 0.00 175.76 176.46 2ipa s ASP 23 N -1.70 0.29 -0.26 0.00 2.15 0.05 -0.90 116.67 116.31 2ipa s ASP 23 Ca 0.37 -0.45 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 2ipa s ASP 23 Cb -0.15 0.08 0.08 0.00 -0.30 0.00 0.00 42.92 42.63 2ipa s ASP 23 CO 0.19 -0.25 0.04 -0.36 -0.17 0.00 0.00 175.17 174.62 2ipa s PHE 24 N -1.29 1.65 0.13 -5.34 0.40 0.26 -0.76 117.98 113.04 2ipa s PHE 24 Ca -0.13 -1.46 0.09 0.00 -0.60 0.00 0.00 56.93 54.82 2ipa s PHE 24 Cb -0.09 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2ipa s PHE 24 CO -0.01 -0.77 -0.22 1.67 0.70 0.00 0.00 175.22 176.60 2ipa s TRP 25 N 1.64 1.94 0.05 0.36 1.48 -0.77 -2.51 118.94 121.12 2ipa s TRP 25 Ca 0.03 -0.42 -0.27 0.00 -1.06 0.00 0.00 56.10 54.38 2ipa s TRP 25 Cb -0.18 -1.03 0.09 0.00 -1.16 0.00 0.00 33.47 31.20 2ipa s TRP 25 CO -0.15 0.29 0.90 0.00 -4.06 0.00 0.00 176.95 173.93 2ipa s ALA 26 N -1.39 -1.76 -0.85 2.67 0.00 -1.26 -1.05 121.76 118.11 2ipa s ALA 26 Ca 0.11 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2ipa s ALA 26 Cb -0.09 0.50 0.09 0.00 0.00 0.00 0.00 23.12 23.63 2ipa s ALA 26 CO 0.06 -0.80 1.01 -2.30 0.00 0.00 0.00 175.76 173.73 2ipa n PRO 27 N -0.32 0.01 -0.17 0.00 -0.02 -1.26 -3.68 135.00 129.56 2ipa n PRO 27 Ca -0.08 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2ipa n PRO 27 Cb 0.62 -1.58 0.05 0.00 -0.02 0.00 0.00 33.50 32.57 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 -0.17 -3.56 6.00 4.06 -1.96 -3.46 115.95 116.85 2ipa h TRP 28 Ca 0.00 0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 2ipa h TRP 28 Cb 0.09 0.16 -0.09 0.00 -1.00 0.00 0.00 29.16 28.31 2ipa h TRP 28 CO 0.00 -0.19 -0.09 0.00 -3.56 0.00 0.00 178.44 174.61 2ipa h GLY 30 N 2.25 0.04 0.68 0.00 0.00 -1.91 -2.82 103.07 101.33 2ipa h GLY 30 Ca -0.26 0.50 0.19 0.00 0.00 0.00 0.00 47.33 47.76 2ipa h GLY 30 CO 0.36 -0.21 0.48 -2.55 0.00 0.00 0.00 176.54 174.62 2ipa h PRO 31 N -0.03 0.00 0.00 4.80 0.11 -1.95 0.13 132.00 135.06 2ipa h PRO 31 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2ipa h PRO 31 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2ipa h PRO 31 CO -0.93 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.29 2ipa n SER 32 N -4.30 0.59 -0.50 -2.05 7.64 -1.06 -0.15 113.62 113.79 2ipa n SER 32 Ca 0.13 0.76 0.05 0.00 1.01 0.00 0.00 58.87 60.81 2ipa n SER 32 Cb 0.73 -0.84 0.11 0.00 -1.01 0.00 0.00 64.21 63.20 2ipa n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ipa n LYS 33 N -2.27 2.58 0.00 1.43 4.01 0.46 -4.07 118.16 120.30 2ipa n LYS 33 Ca -0.01 -1.84 0.00 0.00 -0.51 0.00 0.00 58.31 55.95 2ipa n LYS 33 Cb 0.05 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 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 0.35 0.00 -0.07 1.97 2.81 -0.22 -4.47 117.12 117.48 2ipa n MET 34 Ca 0.09 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.96 2ipa n MET 34 Cb 0.37 -0.63 0.23 0.00 -0.71 0.00 0.00 33.22 32.49 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 0.39 2.02 6.09 -0.81 -2.57 117.51 123.83 2ipa h ILE 35 Ca 0.00 -0.81 -0.00 0.00 -1.37 0.00 0.00 64.86 62.67 2ipa h ILE 35 Cb 0.74 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.80 2ipa h ILE 35 CO 0.00 0.29 -0.49 0.00 -3.07 0.00 0.00 178.15 174.88 2ipa h ALA 36 N 1.40 -1.04 -0.94 0.18 0.00 -1.71 0.78 119.26 117.93 2ipa h ALA 36 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ipa h ALA 36 Cb 0.32 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2ipa h ALA 36 CO 0.00 -1.13 0.62 -1.00 0.00 0.00 0.00 179.25 177.74 2ipa h PRO 37 N -0.91 1.21 -1.00 0.00 0.13 -1.78 -2.33 132.00 127.34 2ipa h PRO 37 Ca -0.04 -0.07 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 2ipa h PRO 37 Cb 0.82 -0.27 -0.08 0.00 0.13 0.00 0.00 31.00 31.60 2ipa h PRO 37 CO -0.12 0.80 0.63 0.28 -0.23 0.00 0.00 178.00 179.36 2ipa h VAL 38 N 1.25 0.97 -0.28 1.56 2.07 -1.01 0.12 116.25 120.94 2ipa h VAL 38 Ca 0.35 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2ipa h VAL 38 Cb -0.11 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.48 2ipa h VAL 38 CO -0.08 0.19 -0.18 -0.07 0.02 0.00 0.00 177.57 177.45 2ipa h LEU 39 N 1.04 0.65 -1.04 2.57 3.38 -0.33 -0.44 115.31 121.14 2ipa h LEU 39 Ca 0.47 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2ipa h LEU 39 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2ipa h LEU 39 CO -0.24 0.93 -0.09 -0.33 0.09 0.00 0.00 178.44 178.81 2ipa h GLU 40 N 0.36 0.58 0.00 1.13 5.08 -1.00 0.27 114.58 121.00 2ipa h GLU 40 Ca 0.06 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ipa h GLU 40 Cb 0.71 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ipa h GLU 40 CO 0.05 0.67 0.00 0.93 -1.00 0.00 0.00 179.01 179.66 2ipa h GLU 41 N 0.53 0.00 0.09 2.33 5.08 -0.61 -2.16 114.58 119.84 2ipa h GLU 41 Ca 0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 2ipa h GLU 41 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ipa h GLU 41 CO 0.03 0.00 -1.47 1.25 -1.00 0.00 0.00 179.01 177.81 2ipa h LEU 42 N 0.00 0.30 -0.58 1.33 5.85 -0.02 -3.35 115.31 118.84 2ipa h LEU 42 Ca 0.00 -0.80 -0.15 0.00 0.84 0.00 0.00 57.88 57.77 2ipa h LEU 42 Cb 0.51 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2ipa h LEU 42 CO 0.00 1.63 -0.46 -0.78 -0.34 0.00 0.00 178.44 178.49 2ipa h ASP 43 N -0.39 0.65 0.39 1.25 3.58 -0.94 0.61 116.42 121.57 2ipa h ASP 43 Ca -0.33 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2ipa h ASP 43 Cb 1.70 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2ipa h ASP 43 CO 0.00 1.01 0.00 0.00 -2.88 0.00 0.00 179.24 177.38 2ipa n GLN 44 N -4.00 0.07 -0.10 0.28 10.64 -0.82 -0.44 117.38 123.00 2ipa n GLN 44 Ca -0.02 0.23 -0.18 0.00 -1.83 0.00 0.00 57.00 55.20 2ipa n GLN 44 Cb 0.56 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.36 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 -1.43 0.43 -0.24 2.61 2.13 -0.63 -4.84 120.64 118.67 2ipa n GLU 45 Ca 0.04 0.16 0.01 0.00 0.66 0.00 0.00 57.16 58.03 2ipa n GLU 45 Cb 0.14 -1.26 0.02 0.00 0.27 0.00 0.00 31.44 30.61 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 -3.58 0.43 0.00 5.31 0.00 0.11 -4.75 117.12 114.64 2ipa n MET 46 Ca -0.37 -1.09 0.03 0.00 0.00 0.00 0.00 57.70 56.27 2ipa n MET 46 Cb 0.80 -0.67 0.15 0.00 0.00 0.00 0.00 33.22 33.50 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 -0.23 -0.44 0.27 3.17 0.00 0.41 -1.34 105.19 107.04 2ipa n GLY 47 Ca 0.02 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.85 0.12 116.42 119.87 2ipa h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ipa h ASP 48 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ipa h ASP 48 CO 0.00 0.10 -0.40 0.29 -2.88 0.00 0.00 179.24 176.36 2ipa n LYS 49 N -3.45 3.81 -4.57 0.28 4.01 -0.45 -4.96 118.16 112.83 2ipa n LYS 49 Ca -0.01 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.57 2ipa n LYS 49 Cb 0.26 -0.67 -0.14 0.00 -0.51 0.00 0.00 35.03 33.96 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 -2.20 2.08 0.01 -0.35 2.96 -1.00 -4.69 118.68 115.49 2ipa s LEU 50 Ca 0.00 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2ipa s LEU 50 Cb 0.00 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 2ipa s LEU 50 CO 0.00 0.13 0.13 -0.75 -1.32 0.00 0.00 176.35 174.54 2ipa s LYS 51 N -0.63 3.21 0.04 1.98 2.20 -1.13 -0.41 119.74 125.01 2ipa s LYS 51 Ca 0.04 -0.45 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2ipa s LYS 51 Cb -0.06 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 2ipa s LYS 51 CO 0.00 0.64 -0.22 0.42 -0.36 0.00 0.00 175.35 175.83 2ipa s ILE 52 N -1.30 1.78 0.01 5.43 1.01 -1.19 -1.34 121.20 125.60 2ipa s ILE 52 Ca 0.27 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2ipa s ILE 52 Cb -0.12 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2ipa s ILE 52 CO 0.18 0.25 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 2ipa s VAL 53 N -0.79 0.45 0.13 2.92 1.01 -0.39 -0.81 120.40 122.91 2ipa s VAL 53 Ca 0.08 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.66 2ipa s VAL 53 Cb -0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2ipa s VAL 53 CO 0.02 -0.05 -0.23 -0.54 0.00 0.00 0.00 175.10 174.30 2ipa s LYS 54 N -0.61 1.56 -0.13 2.72 1.02 0.19 -0.77 119.74 123.73 2ipa s LYS 54 Ca -0.02 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.69 2ipa s LYS 54 Cb -0.05 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2ipa s LYS 54 CO -0.00 0.46 -0.21 0.42 -0.92 0.00 0.00 175.35 175.10 2ipa s ILE 55 N -1.16 2.24 -0.60 2.17 -1.09 0.06 -0.63 121.20 122.20 2ipa s ILE 55 Ca 0.16 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.38 2ipa s ILE 55 Cb -0.10 -1.89 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 2ipa s ILE 55 CO 0.08 0.55 1.15 -0.62 -1.23 0.00 0.00 174.94 174.86 2ipa s ASP 56 N 0.62 6.38 0.00 3.58 -1.08 -1.26 -1.85 116.67 123.06 2ipa s ASP 56 Ca -0.11 -0.08 -0.04 0.00 -0.52 0.00 0.00 52.55 51.80 2ipa s ASP 56 Cb -0.16 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.60 2ipa s ASP 56 CO 0.03 -1.48 2.98 1.33 0.52 0.00 0.00 175.17 178.55 2ipa n VAL 57 N 6.52 2.58 0.00 1.11 0.24 -0.22 -1.68 118.33 126.89 2ipa n VAL 57 Ca 0.06 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 2ipa n VAL 57 Cb 0.49 -1.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.05 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 2.14 0.00 -0.05 -1.34 2.03 -1.26 -4.78 116.55 113.29 2ipa n ASP 58 Ca 0.27 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.47 2ipa n ASP 58 Cb 0.75 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.05 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 -0.02 -0.88 -0.67 4.81 -1.94 -3.41 114.58 112.47 2ipa h GLU 59 Ca 0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.85 2ipa h GLU 59 Cb 0.00 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 28.98 2ipa h GLU 59 CO 0.00 0.71 -1.07 0.27 -0.73 0.00 0.00 179.01 178.19 2ipa n ASN 60 N -4.68 2.31 0.00 1.04 6.94 -0.68 -4.90 115.26 115.29 2ipa n ASN 60 Ca -0.08 -2.76 0.07 0.00 -0.02 0.00 0.00 54.58 51.80 2ipa n ASN 60 Cb 0.35 -0.49 0.43 0.00 -2.36 0.00 0.00 39.78 37.72 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ipa n GLN 61 N -0.35 0.63 -0.16 -3.83 10.64 -1.06 -4.21 117.38 119.05 2ipa n GLN 61 Ca 0.16 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.28 2ipa n GLN 61 Cb 0.81 -1.36 0.03 0.00 -0.86 0.00 0.00 30.24 28.86 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 0.56 -0.64 2.61 4.39 -1.90 0.13 114.58 119.74 2ipa h GLU 62 Ca 0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2ipa h GLU 62 Cb 0.00 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2ipa h GLU 62 CO 0.00 0.37 0.42 1.15 -1.16 0.00 0.00 179.01 179.79 2ipa h THR 63 N 0.58 1.14 0.45 1.13 2.02 -1.81 0.58 112.91 116.99 2ipa h THR 63 Ca 0.20 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2ipa h THR 63 Cb 0.02 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2ipa h THR 63 CO -0.09 0.15 -0.21 0.00 0.37 0.00 0.00 175.52 175.73 2ipa h ALA 64 N 1.61 -0.60 -0.99 6.16 0.00 -1.34 -0.55 119.26 123.55 2ipa h ALA 64 Ca 0.24 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.17 2ipa h ALA 64 Cb -0.05 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2ipa h ALA 64 CO -0.06 -0.60 0.61 0.78 0.00 0.00 0.00 179.25 179.99 2ipa h GLY 65 N -1.08 1.64 0.98 0.00 0.00 -1.10 0.21 103.07 103.71 2ipa h GLY 65 Ca -0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2ipa h GLY 65 CO 0.10 -0.03 0.22 1.70 0.00 0.00 0.00 176.54 178.53 2ipa h LYS 66 N 0.74 0.79 0.00 4.80 3.64 -0.73 -1.11 116.57 124.70 2ipa h LYS 66 Ca 0.56 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2ipa h LYS 66 Cb 0.90 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2ipa h LYS 66 CO -0.34 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 2ipa n TYR 67 N -4.53 0.27 -2.70 1.91 4.02 -0.23 -4.94 117.16 110.96 2ipa n TYR 67 Ca 0.02 0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.91 2ipa n TYR 67 Cb 0.15 -0.65 0.05 0.00 -0.02 0.00 0.00 39.34 38.87 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 0.71 -0.22 0.14 2.72 0.00 0.00 -4.99 105.19 103.56 2ipa n GLY 68 Ca 0.05 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.71 1.52 -1.03 1.61 0.24 -0.85 -4.98 118.33 112.14 2ipa n VAL 69 Ca -0.10 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.34 61.69 2ipa n VAL 69 Cb 0.59 -1.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.18 2ipa n VAL 69 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2ipa n MET 70 N -3.95 -1.69 -4.22 7.34 2.81 -1.26 -4.90 117.12 111.26 2ipa n MET 70 Ca -0.51 0.58 -0.12 0.00 -1.81 0.00 0.00 57.70 55.83 2ipa n MET 70 Cb 0.92 -4.65 -0.10 0.00 -0.71 0.00 0.00 33.22 28.68 2ipa n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2ipa s SER 71 N -1.78 1.10 -0.01 7.83 0.01 -1.26 -5.14 113.70 114.45 2ipa s SER 71 Ca 0.00 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.13 2ipa s SER 71 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2ipa s SER 71 CO 0.00 -0.57 -0.06 -0.63 0.41 0.00 0.00 173.24 172.40 2ipa s ILE 72 N -3.69 0.49 -0.12 1.44 -1.09 -1.26 -3.38 121.20 113.59 2ipa s ILE 72 Ca 0.21 -0.23 -0.26 0.00 -2.23 0.00 0.00 60.65 58.15 2ipa s ILE 72 Cb 0.06 -0.44 -0.02 0.00 -1.58 0.00 0.00 42.46 40.48 2ipa s ILE 72 CO 0.02 0.16 0.85 -2.16 -1.23 0.00 0.00 174.94 172.57 2ipa s PRO 73 N 0.10 4.37 0.26 2.79 0.04 -1.26 -4.58 135.00 136.72 2ipa s PRO 73 Ca -0.01 1.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2ipa s PRO 73 Cb -0.05 -3.53 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 2ipa s PRO 73 CO -0.00 -0.22 0.74 0.99 0.04 0.00 0.00 177.00 178.55 2ipa s THR 74 N 1.74 4.59 -0.04 1.26 2.01 -1.05 -1.70 115.64 122.44 2ipa s THR 74 Ca 0.41 1.20 -0.00 0.00 0.31 0.00 0.00 61.69 63.61 2ipa s THR 74 Cb -0.17 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.58 2ipa s THR 74 CO 0.16 0.07 0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 2ipa s LEU 75 N -2.32 0.85 -0.27 4.42 2.96 0.08 -0.57 118.68 123.84 2ipa s LEU 75 Ca 0.47 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2ipa s LEU 75 Cb -0.15 -0.29 0.07 0.00 0.50 0.00 0.00 46.19 46.32 2ipa s LEU 75 CO 0.20 -0.15 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.26 2ipa s LEU 76 N 1.46 3.34 -0.03 -0.68 1.43 -0.08 -1.13 118.68 122.98 2ipa s LEU 76 Ca -0.03 -1.45 -0.27 0.00 -1.03 0.00 0.00 54.13 51.35 2ipa s LEU 76 Cb -0.13 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2ipa s LEU 76 CO -0.03 -0.24 0.86 -0.69 0.23 0.00 0.00 176.35 176.49 2ipa s VAL 77 N 1.18 4.94 0.16 -1.59 1.01 0.02 -0.79 120.40 125.32 2ipa s VAL 77 Ca -0.05 1.80 0.07 0.00 0.00 0.00 0.00 61.98 63.80 2ipa s VAL 77 Cb -0.19 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2ipa s VAL 77 CO -0.06 0.19 -0.15 -0.76 0.00 0.00 0.00 175.10 174.32 2ipa s LEU 78 N 0.96 2.46 -0.03 3.92 1.02 -0.21 -0.91 118.68 125.89 2ipa s LEU 78 Ca 0.46 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 2ipa s LEU 78 Cb -0.20 -0.66 0.01 0.00 0.02 0.00 0.00 46.19 45.37 2ipa s LEU 78 CO 0.23 -0.12 0.08 -1.59 0.02 0.00 0.00 176.35 174.97 2ipa s LYS 79 N -2.99 0.09 -0.39 1.70 -2.85 0.01 -1.36 119.74 113.94 2ipa s LYS 79 Ca 0.15 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2ipa s LYS 79 Cb -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 2ipa s LYS 79 CO 0.05 -0.03 0.00 -3.47 0.10 0.00 0.00 175.35 172.00 2ipa n ASP 80 N 3.19 -1.90 0.00 0.03 2.03 0.23 -1.45 116.55 118.68 2ipa n ASP 80 Ca -0.14 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2ipa n ASP 80 Cb 0.58 -1.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 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 -0.53 0.90 3.10 0.27 0.00 -1.02 -4.66 105.19 103.26 2ipa n GLY 81 Ca -0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.58 0.90 0.22 1.61 -1.05 -0.53 -4.92 118.70 114.36 2ipa s GLU 82 Ca 0.00 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 2ipa s GLU 82 Cb 0.00 -0.88 -0.10 0.00 -0.44 0.00 0.00 34.13 32.72 2ipa s GLU 82 CO 0.00 0.23 1.42 0.08 0.95 0.00 0.00 175.26 177.94 2ipa s VAL 83 N -0.64 2.80 0.00 1.83 1.01 -1.26 -0.81 120.40 123.33 2ipa s VAL 83 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2ipa s VAL 83 Cb -0.07 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2ipa s VAL 83 CO 0.00 0.09 0.00 0.55 0.00 0.00 0.00 175.10 175.75 2ipa n VAL 84 N 2.67 0.00 -3.88 2.92 3.14 -0.09 -4.89 118.33 118.20 2ipa n VAL 84 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.37 2ipa n VAL 84 Cb 0.41 0.06 -0.07 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.51 0.98 -0.03 1.45 0.41 -1.06 -5.02 118.70 113.92 2ipa s GLU 85 Ca 0.00 -1.02 -0.14 0.00 -0.41 0.00 0.00 54.97 53.40 2ipa s GLU 85 Cb 0.00 0.37 0.02 0.00 -1.78 0.00 0.00 34.13 32.74 2ipa s GLU 85 CO 0.00 -0.34 0.31 0.99 -0.49 0.00 0.00 175.26 175.73 2ipa s THR 86 N -3.90 0.05 0.06 3.63 2.01 -1.26 -0.80 115.64 115.44 2ipa s THR 86 Ca 0.09 -0.41 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 2ipa s THR 86 Cb 0.04 -0.60 0.04 0.00 0.01 0.00 0.00 72.50 71.99 2ipa s THR 86 CO -0.07 -0.23 0.44 -0.44 -0.69 0.00 0.00 174.62 173.63 2ipa s SER 87 N -1.13 -0.32 -0.40 3.53 0.01 -0.29 -4.99 113.70 110.12 2ipa s SER 87 Ca -0.12 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.19 2ipa s SER 87 Cb -0.05 0.45 0.23 0.00 0.21 0.00 0.00 66.02 66.86 2ipa s SER 87 CO 0.04 -0.72 0.48 0.55 0.41 0.00 0.00 173.24 174.00 2ipa n VAL 88 N 0.32 -0.82 0.00 3.43 3.14 -1.26 -0.74 118.33 122.40 2ipa n VAL 88 Ca -0.18 -3.78 0.00 0.00 -2.96 0.00 0.00 64.34 57.42 2ipa n VAL 88 Cb 0.61 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2ipa n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ipa n GLY 89 N 1.80 2.31 3.76 7.55 0.00 -0.69 -4.81 105.19 115.11 2ipa n GLY 89 Ca 0.23 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 2.43 -0.02 1.61 5.36 -1.26 -4.72 117.98 119.38 2ipa s PHE 90 Ca 0.00 1.50 -0.02 0.00 -0.96 0.00 0.00 56.93 57.45 2ipa s PHE 90 Cb 0.00 -3.51 0.01 0.00 -0.34 0.00 0.00 43.02 39.18 2ipa s PHE 90 CO 0.00 -2.21 0.06 0.21 -1.46 0.00 0.00 175.22 171.81 2ipa s LYS 91 N -3.21 0.08 1.02 10.12 2.47 -1.26 -5.12 119.74 123.83 2ipa s LYS 91 Ca 0.75 0.06 -0.12 0.00 -1.56 0.00 0.00 55.97 55.10 2ipa s LYS 91 Cb -0.31 0.04 0.20 0.00 -1.46 0.00 0.00 37.83 36.29 2ipa s LYS 91 CO 0.35 -0.01 1.09 -1.25 0.16 0.00 0.00 175.35 175.68 2ipa s PRO 92 N -0.01 0.29 0.21 4.03 0.04 -1.26 -4.64 135.00 133.66 2ipa s PRO 92 Ca -0.00 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.52 2ipa s PRO 92 Cb -0.01 -1.72 0.31 0.00 0.04 0.00 0.00 34.50 33.13 2ipa s PRO 92 CO 0.00 -2.84 1.73 -0.22 0.04 0.00 0.00 177.00 175.71 2ipa h LYS 93 N -1.97 0.35 -0.31 4.56 3.11 -1.97 0.11 116.57 120.45 2ipa h LYS 93 Ca -0.55 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.19 2ipa h LYS 93 Cb 1.33 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 2ipa h LYS 93 CO 0.56 0.23 -0.13 0.93 -2.81 0.00 0.00 179.45 178.24 2ipa h GLU 94 N 0.36 0.63 -0.42 1.90 5.08 -1.98 -0.46 114.58 119.69 2ipa h GLU 94 Ca 0.33 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ipa h GLU 94 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2ipa h GLU 94 CO -0.36 0.84 -0.07 0.00 -1.00 0.00 0.00 179.01 178.43 2ipa h ALA 95 N 0.77 1.10 -0.17 3.43 0.00 -1.70 0.10 119.26 122.79 2ipa h ALA 95 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2ipa h ALA 95 Cb 0.64 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ipa h ALA 95 CO 0.04 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 181.03 2ipa h LEU 96 N 0.66 0.35 -0.95 0.00 5.85 -0.84 -0.77 115.31 119.61 2ipa h LEU 96 Ca 0.12 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2ipa h LEU 96 Cb 0.51 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2ipa h LEU 96 CO 0.03 0.68 0.32 0.06 -0.34 0.00 0.00 178.44 179.18 2ipa h GLN 97 N 0.03 1.07 -0.37 1.25 3.07 -0.92 -2.51 115.11 116.74 2ipa h GLN 97 Ca 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2ipa h GLN 97 Cb 0.54 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2ipa h GLN 97 CO 0.02 0.85 0.16 1.49 0.09 0.00 0.00 178.83 181.45 2ipa h GLU 98 N 1.06 0.53 -0.69 0.06 4.81 -0.83 0.16 114.58 119.68 2ipa h GLU 98 Ca 0.25 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2ipa h GLU 98 Cb 0.16 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2ipa h GLU 98 CO -0.03 0.49 0.46 1.25 -0.73 0.00 0.00 179.01 180.45 2ipa h LEU 99 N 0.45 0.70 0.14 1.64 5.85 -0.71 -1.59 115.31 121.80 2ipa h LEU 99 Ca 0.12 -0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.49 2ipa h LEU 99 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2ipa h LEU 99 CO -0.01 0.48 -1.82 1.62 -0.34 0.00 0.00 178.44 178.36 2ipa h VAL 100 N 0.82 0.79 -0.61 1.05 3.04 -1.40 -3.39 116.25 116.55 2ipa h VAL 100 Ca 0.28 -2.40 0.08 0.00 -1.01 0.00 0.00 66.70 63.65 2ipa h VAL 100 Cb 0.10 2.61 -0.04 0.00 -2.01 0.00 0.00 31.29 31.95 2ipa h VAL 100 CO -0.08 0.85 0.40 -1.13 -1.01 0.00 0.00 177.57 176.60 2ipa h ASN 101 N 0.00 0.45 0.32 3.17 -1.24 -0.19 0.42 115.58 118.52 2ipa h ASN 101 Ca -0.38 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.63 2ipa h ASN 101 Cb 2.00 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.96 2ipa h ASN 101 CO 0.11 0.28 0.00 2.29 -1.29 0.00 0.00 177.43 178.82 2ipa n LYS 102 N -4.48 0.15 0.00 6.67 2.85 -0.64 -3.18 118.16 119.54 2ipa n LYS 102 Ca 0.09 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 2ipa n LYS 102 Cb 0.31 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 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 -1.34 0.00 0.00 5.58 8.25 -0.27 -5.14 115.22 122.30 2ipa n HIS 103 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2ipa n HIS 103 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87