#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ih8 h MET 1002N 0.00 0.19 -0.63 4.33 1.85 -2.03 -2.07 114.93 116.57 1ih8 h MET 1002Ca 0.00 -0.06 -0.09 0.00 -0.61 0.00 0.00 59.70 58.94 1ih8 h MET 1002Cb 0.00 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 1ih8 h MET 1002CO 0.00 0.46 0.04 0.37 -0.40 0.00 0.00 176.91 177.38 1ih8 h GLN 1003N 0.17 1.08 -0.35 0.39 4.15 -1.98 -1.16 115.11 117.40 1ih8 h GLN 1003Ca 0.03 -0.32 -0.14 0.00 0.77 0.00 0.00 58.65 58.98 1ih8 h GLN 1003Cb 0.59 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1ih8 h GLN 1003CO 0.04 1.02 -0.36 0.93 -1.93 0.00 0.00 178.83 178.54 1ih8 h GLU 1004N 0.99 0.81 -0.18 1.69 5.08 -1.87 -0.76 114.58 120.34 1ih8 h GLU 1004Ca 0.18 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1ih8 h GLU 1004Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ih8 h GLU 1004CO 0.02 1.03 0.07 -0.22 -1.00 0.00 0.00 179.01 178.92 1ih8 h LYS 1005N 0.67 0.26 -0.36 2.33 3.64 -1.15 -0.84 116.57 121.12 1ih8 h LYS 1005Ca 0.06 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1ih8 h LYS 1005Cb 0.91 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1ih8 h LYS 1005CO 0.08 0.34 0.06 0.82 -2.27 0.00 0.00 179.45 178.48 1ih8 h ILE 1006N 0.13 1.24 -0.67 2.00 2.04 -1.19 0.11 117.51 121.18 1ih8 h ILE 1006Ca 0.06 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1ih8 h ILE 1006Cb 0.17 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1ih8 h ILE 1006CO -0.00 0.28 0.36 -0.03 0.00 0.00 0.00 178.15 178.76 1ih8 h MET 1007N 0.44 0.63 -0.20 2.37 4.05 -1.03 -0.23 114.93 120.97 1ih8 h MET 1007Ca 0.11 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1ih8 h MET 1007Cb 0.36 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1ih8 h MET 1007CO 0.01 0.42 -0.10 -0.09 0.23 0.00 0.00 176.91 177.38 1ih8 h ARG 1008N 0.65 0.41 -0.21 0.39 9.65 -0.91 -1.62 114.38 122.75 1ih8 h ARG 1008Ca 0.30 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1ih8 h ARG 1008Cb 0.22 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1ih8 h ARG 1008CO -0.20 0.71 -0.00 0.93 2.80 0.00 0.00 179.97 184.21 1ih8 h GLU 1009N 0.11 0.30 -0.07 0.20 5.08 -0.33 -2.20 114.58 117.66 1ih8 h GLU 1009Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ih8 h GLU 1009Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ih8 h GLU 1009CO 0.03 0.33 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 1ih8 n LEU 1010N -4.36 1.99 -3.36 1.33 4.77 -0.14 -4.97 117.00 112.26 1ih8 n LEU 1010Ca 0.00 -0.71 -0.21 0.00 -0.03 0.00 0.00 56.01 55.05 1ih8 n LEU 1010Cb 0.19 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1ih8 n LEU 1010CO 0.37 0.36 0.22 1.41 -1.33 0.00 0.00 177.39 178.41 1ih8 n HIS 1011N 0.54 -2.61 -3.34 -1.77 8.25 -0.83 -3.28 115.22 112.19 1ih8 n HIS 1011Ca 0.17 0.94 -0.38 0.00 -0.26 0.00 0.00 57.72 58.19 1ih8 n HIS 1011Cb 0.42 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 26.70 1ih8 n HIS 1011CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ih8 s VAL 1012N -3.30 4.97 -0.14 1.59 1.01 -0.65 -4.41 120.40 119.47 1ih8 s VAL 1012Ca 0.48 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 1ih8 s VAL 1012Cb -0.21 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1ih8 s VAL 1012CO 0.68 0.48 0.06 -0.54 0.00 0.00 0.00 175.10 175.78 1ih8 s LYS 1013N -0.49 3.56 0.36 2.72 1.02 -1.26 -4.80 119.74 120.85 1ih8 s LYS 1013Ca 0.27 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1ih8 s LYS 1013Cb -0.17 -3.09 0.68 0.00 -0.52 0.00 0.00 37.83 34.73 1ih8 s LYS 1013CO 0.15 0.52 1.92 -1.00 -0.92 0.00 0.00 175.35 176.02 1ih8 h PRO 1014N 5.83 0.49 -4.67 -1.68 0.13 -1.89 -3.43 132.00 126.78 1ih8 h PRO 1014Ca -0.45 -0.09 -0.36 0.00 -0.87 0.00 0.00 66.00 64.23 1ih8 h PRO 1014Cb 1.19 -0.08 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 1ih8 h PRO 1014CO 0.63 0.49 -0.77 0.45 -0.23 0.00 0.00 178.00 178.57 1ih8 s SER 1015N -6.74 0.99 0.15 1.44 0.15 -1.26 -4.93 113.70 103.49 1ih8 s SER 1015Ca -0.07 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1ih8 s SER 1015Cb 0.16 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1ih8 s SER 1015CO 0.75 0.03 -0.11 0.27 1.20 0.00 0.00 173.24 175.38 1ih8 s ILE 1016N -0.50 1.24 -0.45 6.45 -4.36 -1.26 -5.10 121.20 117.22 1ih8 s ILE 1016Ca 0.00 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 1ih8 s ILE 1016Cb -0.05 -1.80 0.11 0.00 1.25 0.00 0.00 42.46 41.98 1ih8 s ILE 1016CO 0.00 -0.68 0.29 -0.62 0.24 0.00 0.00 174.94 174.18 1ih8 s ASP 1017N -3.05 5.55 0.26 4.36 3.68 -1.26 -5.00 116.67 121.21 1ih8 s ASP 1017Ca 0.16 -1.93 -0.09 0.00 2.13 0.00 0.00 52.55 52.81 1ih8 s ASP 1017Cb 0.01 -1.95 0.40 0.00 -1.45 0.00 0.00 42.92 39.93 1ih8 s ASP 1017CO 0.02 -0.64 1.58 -0.65 0.13 0.00 0.00 175.17 175.61 1ih8 h PRO 1018N 8.31 -0.00 -0.62 4.34 0.11 -1.97 -0.98 132.00 141.19 1ih8 h PRO 1018Ca -0.18 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 1ih8 h PRO 1018Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1ih8 h PRO 1018CO 0.80 -0.00 0.08 0.87 -0.21 0.00 0.00 178.00 179.54 1ih8 h LYS 1019N -0.00 1.02 -0.02 1.05 1.57 -1.96 -2.14 116.57 116.09 1ih8 h LYS 1019Ca 0.43 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1ih8 h LYS 1019Cb 0.66 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1ih8 h LYS 1019CO -0.93 0.95 -0.73 0.37 -0.57 0.00 0.00 179.45 178.55 1ih8 h GLN 1020N 0.95 0.12 -0.57 3.15 5.75 -1.73 -1.93 115.11 120.84 1ih8 h GLN 1020Ca 0.19 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1ih8 h GLN 1020Cb 0.45 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1ih8 h GLN 1020CO 0.02 0.79 0.24 0.93 -2.65 0.00 0.00 178.83 178.16 1ih8 h GLU 1021N 0.08 0.85 -0.33 1.69 4.39 -1.03 0.31 114.58 120.53 1ih8 h GLU 1021Ca -0.02 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1ih8 h GLU 1021Cb 1.29 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1ih8 h GLU 1021CO 0.10 0.72 0.19 0.82 -1.16 0.00 0.00 179.01 179.69 1ih8 h ILE 1022N 0.79 1.13 -0.26 3.13 2.04 -1.23 -0.18 117.51 122.93 1ih8 h ILE 1022Ca 0.19 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ih8 h ILE 1022Cb 0.18 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1ih8 h ILE 1022CO -0.02 0.13 0.17 -0.08 0.00 0.00 0.00 178.15 178.35 1ih8 h GLU 1023N 0.42 0.35 -0.59 2.37 4.57 -0.94 0.11 114.58 120.88 1ih8 h GLU 1023Ca 0.12 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1ih8 h GLU 1023Cb 0.05 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1ih8 h GLU 1023CO -0.02 0.25 0.25 -0.44 -1.18 0.00 0.00 179.01 177.87 1ih8 h ASP 1024N 0.34 0.80 0.48 1.04 3.32 -0.18 -0.67 116.42 121.56 1ih8 h ASP 1024Ca 0.10 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1ih8 h ASP 1024Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1ih8 h ASP 1024CO -0.02 0.75 -0.67 0.03 -1.72 0.00 0.00 179.24 177.61 1ih8 h ARG 1025N 0.81 0.16 -0.23 3.56 3.08 -0.86 -0.66 114.38 120.24 1ih8 h ARG 1025Ca 0.20 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 1ih8 h ARG 1025Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ih8 h ARG 1025CO -0.02 0.77 -0.49 0.28 -1.07 0.00 0.00 179.97 179.44 1ih8 h VAL 1026N 0.11 1.30 -0.20 2.04 2.07 -0.86 -2.73 116.25 117.99 1ih8 h VAL 1026Ca -0.01 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 1ih8 h VAL 1026Cb 1.19 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1ih8 h VAL 1026CO 0.10 0.54 -0.08 0.78 0.02 0.00 0.00 177.57 178.93 1ih8 h ASN 1027N 0.47 0.28 -0.16 0.57 -0.26 -0.96 -1.72 115.58 113.80 1ih8 h ASN 1027Ca 0.00 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 1ih8 h ASN 1027Cb 1.10 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 1ih8 h ASN 1027CO 0.11 0.41 0.02 0.15 -1.06 0.00 0.00 177.43 177.06 1ih8 h PHE 1028N 0.29 0.28 -0.45 1.19 3.57 -1.00 -0.33 116.94 120.49 1ih8 h PHE 1028Ca 0.06 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ih8 h PHE 1028Cb 0.33 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1ih8 h PHE 1028CO 0.01 0.43 0.27 -0.07 -2.23 0.00 0.00 178.31 176.72 1ih8 h LEU 1029N 0.04 0.44 0.00 0.59 3.38 -1.16 -0.01 115.31 118.60 1ih8 h LEU 1029Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ih8 h LEU 1029Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ih8 h LEU 1029CO 0.00 0.31 -0.02 0.11 0.09 0.00 0.00 178.44 178.94 1ih8 h LYS 1030N 0.54 -0.03 -0.67 1.13 1.57 -1.22 -1.33 116.57 116.55 1ih8 h LYS 1030Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1ih8 h LYS 1030Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1ih8 h LYS 1030CO -0.08 -0.02 0.41 0.37 -0.57 0.00 0.00 179.45 179.56 1ih8 h GLN 1031N -0.03 0.91 -0.08 3.15 4.15 -0.78 -1.99 115.11 120.44 1ih8 h GLN 1031Ca 0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1ih8 h GLN 1031Cb 0.04 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1ih8 h GLN 1031CO -0.02 0.64 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.57 1ih8 h TYR 1032N 0.91 0.18 -0.52 3.99 3.20 -0.86 -2.06 116.97 121.81 1ih8 h TYR 1032Ca 0.24 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1ih8 h TYR 1032Cb -0.03 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1ih8 h TYR 1032CO -0.02 0.51 0.21 -0.24 -1.64 0.00 0.00 178.16 176.98 1ih8 h VAL 1033N -0.21 1.19 -0.24 1.81 3.04 -1.21 -1.75 116.25 118.89 1ih8 h VAL 1033Ca 0.02 -0.60 -0.06 0.00 -1.01 0.00 0.00 66.70 65.05 1ih8 h VAL 1033Cb 0.46 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1ih8 h VAL 1033CO 0.01 0.24 -0.07 0.11 -1.01 0.00 0.00 177.57 176.85 1ih8 h LYS 1034N 0.75 0.47 -0.64 4.17 1.57 -1.35 -0.20 116.57 121.33 1ih8 h LYS 1034Ca 0.18 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1ih8 h LYS 1034Cb 0.15 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1ih8 h LYS 1034CO -0.02 0.71 0.34 -0.22 -0.57 0.00 0.00 179.45 179.69 1ih8 h LYS 1035N 0.21 0.60 0.00 3.15 1.63 -0.96 -2.05 116.57 119.14 1ih8 h LYS 1035Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ih8 h LYS 1035Cb 0.54 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1ih8 h LYS 1035CO 0.03 0.39 -0.11 1.79 -3.45 0.00 0.00 179.45 178.10 1ih8 h THR 1036N 0.61 0.00 -0.52 1.00 1.35 -1.28 -3.48 112.91 110.60 1ih8 h THR 1036Ca 0.30 -0.73 -0.17 0.00 -0.55 0.00 0.00 66.41 65.26 1ih8 h THR 1036Cb 0.23 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.25 1ih8 h THR 1036CO -0.20 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 175.52 1ih8 n GLY 1037N 1.22 0.84 3.81 5.82 0.00 -0.11 -5.02 105.19 111.75 1ih8 n GLY 1037Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1ih8 n GLY 1037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ih8 s ALA 1038N -2.32 2.40 -1.56 4.61 0.00 -1.04 -4.97 121.76 118.87 1ih8 s ALA 1038Ca 0.00 -0.13 0.28 0.00 0.00 0.00 0.00 51.96 52.11 1ih8 s ALA 1038Cb 0.00 -3.12 1.16 0.00 0.00 0.00 0.00 23.12 21.16 1ih8 s ALA 1038CO 0.00 -1.56 1.82 1.63 0.00 0.00 0.00 175.76 177.66 1ih8 n LYS 1039N -3.33 0.60 -0.15 0.00 5.02 0.01 -4.84 118.16 115.48 1ih8 n LYS 1039Ca 0.07 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1ih8 n LYS 1039Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1ih8 n LYS 1039CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ih8 n GLY 1040N 1.31 0.02 3.34 0.72 0.00 -1.26 -1.42 105.19 107.90 1ih8 n GLY 1040Ca 0.13 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 1ih8 n GLY 1040CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ih8 s PHE 1041N -3.94 1.59 -0.02 1.61 0.40 -0.49 -1.00 117.98 116.13 1ih8 s PHE 1041Ca 0.00 -0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 55.40 1ih8 s PHE 1041Cb 0.00 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1ih8 s PHE 1041CO 0.00 -0.02 0.05 0.54 0.70 0.00 0.00 175.22 176.49 1ih8 s VAL 1042N -3.39 -0.01 -0.17 -0.44 0.11 -0.55 -0.97 120.40 114.97 1ih8 s VAL 1042Ca 0.29 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 1ih8 s VAL 1042Cb 0.06 -0.09 0.05 0.00 -1.53 0.00 0.00 36.38 34.87 1ih8 s VAL 1042CO 0.09 0.02 0.44 -0.22 -3.33 0.00 0.00 175.10 172.10 1ih8 s LEU 1043N 0.25 0.04 0.06 2.54 2.96 -0.80 -1.75 118.68 121.99 1ih8 s LEU 1043Ca -0.02 0.92 -0.31 0.00 -0.22 0.00 0.00 54.13 54.51 1ih8 s LEU 1043Cb -0.03 1.47 -0.06 0.00 0.50 0.00 0.00 46.19 48.08 1ih8 s LEU 1043CO -0.01 -0.18 1.18 -0.83 -1.32 0.00 0.00 176.35 175.20 1ih8 s GLY 1044N 0.90 2.45 -0.30 7.98 0.00 -1.26 -1.27 107.32 115.81 1ih8 s GLY 1044Ca -0.05 0.83 -0.08 0.00 0.00 0.00 0.00 44.72 45.42 1ih8 s GLY 1044CO -0.07 2.01 0.11 -0.42 0.00 0.00 0.00 173.10 174.73 1ih8 s ILE 1045N 1.02 4.24 -0.07 0.90 -1.09 0.49 -4.87 121.20 121.82 1ih8 s ILE 1045Ca 0.58 -0.58 0.22 0.00 -2.23 0.00 0.00 60.65 58.64 1ih8 s ILE 1045Cb -0.29 -3.18 -0.28 0.00 -1.58 0.00 0.00 42.46 37.14 1ih8 s ILE 1045CO 0.29 0.07 0.58 -1.54 -1.23 0.00 0.00 174.94 173.11 1ih8 n SER 1046N 4.92 0.16 0.00 3.58 3.41 -1.26 -4.48 113.62 119.94 1ih8 n SER 1046Ca -0.14 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1ih8 n SER 1046Cb 0.48 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.14 1ih8 n SER 1046CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ih8 n GLY 1047N 1.25 0.49 3.88 5.00 0.00 -1.26 -4.16 105.19 110.38 1ih8 n GLY 1047Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1ih8 n GLY 1047CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih8 s GLY 1048N -2.03 1.64 0.17 -0.02 0.00 -1.26 -4.65 107.32 101.17 1ih8 s GLY 1048Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 44.72 44.33 1ih8 s GLY 1048CO 0.00 0.10 1.59 -1.61 0.00 0.00 0.00 173.10 173.18 1ih8 h GLN 1049N -0.28 -0.22 -0.11 2.90 4.15 -1.98 -1.97 115.11 117.61 1ih8 h GLN 1049Ca -0.44 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.02 1ih8 h GLN 1049Cb 1.20 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1ih8 h GLN 1049CO 0.62 -0.14 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.88 1ih8 h ASP 1050N -0.23 -0.19 0.82 -0.69 3.32 -1.93 -1.19 116.42 116.33 1ih8 h ASP 1050Ca 0.19 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1ih8 h ASP 1050Cb 0.55 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1ih8 h ASP 1050CO -0.62 -0.08 -0.38 0.77 -1.72 0.00 0.00 179.24 177.21 1ih8 h SER 1051N -0.06 0.00 -0.34 6.45 4.64 -1.87 -1.43 113.55 120.94 1ih8 h SER 1051Ca 0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1ih8 h SER 1051Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ih8 h SER 1051CO -0.14 0.38 -0.31 0.74 -0.87 0.00 0.00 176.83 176.64 1ih8 h THR 1052N 0.00 1.29 -0.02 2.95 2.02 -0.98 -0.50 112.91 117.67 1ih8 h THR 1052Ca -0.00 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1ih8 h THR 1052Cb 0.90 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1ih8 h THR 1052CO 0.05 0.48 -0.02 0.25 0.37 0.00 0.00 175.52 176.65 1ih8 h LEU 1053N 0.60 0.05 -1.00 2.58 5.85 -1.07 -1.91 115.31 120.42 1ih8 h LEU 1053Ca 0.06 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1ih8 h LEU 1053Cb 0.88 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1ih8 h LEU 1053CO 0.08 0.53 0.66 0.00 -0.34 0.00 0.00 178.44 179.37 1ih8 h ALA 1054N 0.52 1.28 -0.28 1.25 0.00 -1.30 -1.72 119.26 119.01 1ih8 h ALA 1054Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ih8 h ALA 1054Cb 0.52 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ih8 h ALA 1054CO 0.01 0.62 0.07 0.78 0.00 0.00 0.00 179.25 180.73 1ih8 h GLY 1055N 1.33 0.48 1.04 0.00 0.00 -1.06 -0.75 103.07 104.10 1ih8 h GLY 1055Ca 0.38 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1ih8 h GLY 1055CO -0.09 0.28 0.34 -0.09 0.00 0.00 0.00 176.54 176.97 1ih8 h ARG 1056N 0.29 1.18 -0.71 4.80 9.65 -1.07 -0.01 114.38 128.51 1ih8 h ARG 1056Ca 0.09 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.71 1ih8 h ARG 1056Cb 0.28 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1ih8 h ARG 1056CO 0.00 0.94 0.22 -0.07 2.80 0.00 0.00 179.97 183.86 1ih8 h LEU 1057N 1.15 1.02 -0.49 3.80 3.38 -1.18 -0.64 115.31 122.34 1ih8 h LEU 1057Ca 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ih8 h LEU 1057Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ih8 h LEU 1057CO -0.03 0.95 0.21 0.00 0.09 0.00 0.00 178.44 179.66 1ih8 h ALA 1058N 1.18 0.64 -0.61 1.53 0.00 -0.41 -0.37 119.26 121.23 1ih8 h ALA 1058Ca 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ih8 h ALA 1058Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ih8 h ALA 1058CO -0.01 0.24 0.09 0.37 0.00 0.00 0.00 179.25 179.94 1ih8 h GLN 1059N 0.66 1.01 -0.48 0.00 5.75 -0.66 -1.64 115.11 119.74 1ih8 h GLN 1059Ca 0.17 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1ih8 h GLN 1059Cb 0.18 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1ih8 h GLN 1059CO -0.02 0.95 0.13 -0.07 -2.65 0.00 0.00 178.83 177.18 1ih8 h LEU 1060N 0.92 0.66 -0.21 -2.39 3.38 -0.89 -1.79 115.31 114.98 1ih8 h LEU 1060Ca 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ih8 h LEU 1060Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ih8 h LEU 1060CO 0.01 0.65 0.04 0.00 0.09 0.00 0.00 178.44 179.23 1ih8 h ALA 1061N 1.45 0.28 -0.16 1.53 0.00 -0.52 -1.69 119.26 120.15 1ih8 h ALA 1061Ca 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ih8 h ALA 1061Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ih8 h ALA 1061CO -0.01 -0.06 -0.43 -0.39 0.00 0.00 0.00 179.25 178.37 1ih8 h VAL 1062N 0.15 1.31 -0.16 0.00 -1.51 -1.11 -1.97 116.25 112.96 1ih8 h VAL 1062Ca 0.07 -1.59 -0.11 0.00 -1.23 0.00 0.00 66.70 63.84 1ih8 h VAL 1062Cb 0.30 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1ih8 h VAL 1062CO 0.00 0.48 -0.38 -0.33 -1.23 0.00 0.00 177.57 176.12 1ih8 h GLU 1063N 0.30 0.36 -0.40 5.19 5.08 -1.26 -1.76 114.58 122.09 1ih8 h GLU 1063Ca 0.02 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1ih8 h GLU 1063Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1ih8 h GLU 1063CO 0.07 0.68 -0.32 1.03 -1.00 0.00 0.00 179.01 179.47 1ih8 h SER 1064N 0.30 0.98 -0.63 1.42 0.87 -1.02 -0.16 113.55 115.33 1ih8 h SER 1064Ca 0.03 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 1ih8 h SER 1064Cb 0.80 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1ih8 h SER 1064CO 0.06 1.22 0.13 0.40 -0.53 0.00 0.00 176.83 178.11 1ih8 h ILE 1065N 0.76 1.26 -0.25 2.23 2.04 -1.16 -1.69 117.51 120.70 1ih8 h ILE 1065Ca 0.07 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 1ih8 h ILE 1065Cb 0.91 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ih8 h ILE 1065CO 0.08 0.36 -0.38 0.03 0.00 0.00 0.00 178.15 178.24 1ih8 h ARG 1066N 0.93 0.57 -0.71 2.37 3.08 -1.22 0.29 114.38 119.71 1ih8 h ARG 1066Ca 0.19 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1ih8 h ARG 1066Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1ih8 h ARG 1066CO 0.01 0.87 0.38 1.49 -1.07 0.00 0.00 179.97 181.65 1ih8 h GLU 1067N 0.48 0.98 -0.32 0.04 4.81 -0.64 -0.56 114.58 119.37 1ih8 h GLU 1067Ca 0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ih8 h GLU 1067Cb 0.88 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ih8 h GLU 1067CO 0.08 0.72 0.00 -0.85 -0.73 0.00 0.00 179.01 178.23 1ih8 n GLU 1068N -4.36 1.53 -0.33 1.92 0.28 -0.67 -4.87 120.64 114.14 1ih8 n GLU 1068Ca 0.07 -0.68 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 1ih8 n GLU 1068Cb 0.10 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1ih8 n GLU 1068CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ih8 n GLY 1069N 0.67 0.74 2.93 -1.84 0.00 -0.22 -5.06 105.19 102.41 1ih8 n GLY 1069Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1ih8 n GLY 1069CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ih8 n GLY 1070N -2.14 0.91 3.26 -0.02 0.00 0.99 -4.96 105.19 103.24 1ih8 n GLY 1070Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1ih8 n GLY 1070CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ih8 s ASP 1071N -4.00 3.61 -0.10 1.61 2.15 -1.26 -4.00 116.67 114.67 1ih8 s ASP 1071Ca 0.49 -0.48 -0.31 0.00 0.43 0.00 0.00 52.55 52.69 1ih8 s ASP 1071Cb -0.03 -1.55 0.10 0.00 -0.30 0.00 0.00 42.92 41.14 1ih8 s ASP 1071CO 0.32 0.09 0.82 0.00 -0.17 0.00 0.00 175.17 176.24 1ih8 s ALA 1072N 0.75 -1.84 0.03 3.66 0.00 -1.26 -4.83 121.76 118.27 1ih8 s ALA 1072Ca -0.07 1.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.26 1ih8 s ALA 1072Cb -0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1ih8 s ALA 1072CO 0.01 -0.34 0.15 1.14 0.00 0.00 0.00 175.76 176.71 1ih8 s GLN 1073N -1.14 0.60 -0.12 0.00 -2.07 -0.51 -4.90 119.66 111.53 1ih8 s GLN 1073Ca -0.07 -0.61 0.01 0.00 -1.82 0.00 0.00 55.36 52.88 1ih8 s GLN 1073Cb -0.00 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1ih8 s GLN 1073CO 0.06 -0.16 -0.16 0.12 -1.32 0.00 0.00 175.29 173.84 1ih8 s PHE 1074N -2.27 2.08 -0.31 9.60 5.36 -1.26 -1.40 117.98 129.78 1ih8 s PHE 1074Ca -0.08 -1.02 -0.08 0.00 -0.96 0.00 0.00 56.93 54.79 1ih8 s PHE 1074Cb -0.03 -1.49 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 1ih8 s PHE 1074CO -0.03 -0.53 0.12 0.42 -1.46 0.00 0.00 175.22 173.75 1ih8 s ILE 1075N 1.07 4.29 -0.11 3.12 1.01 -0.15 -1.99 121.20 128.45 1ih8 s ILE 1075Ca -0.04 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 1ih8 s ILE 1075Cb -0.15 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1ih8 s ILE 1075CO -0.03 0.05 0.37 0.00 0.00 0.00 0.00 174.94 175.33 1ih8 s ALA 1076N 1.55 3.58 -0.05 9.38 0.00 -0.02 -1.90 121.76 134.31 1ih8 s ALA 1076Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1ih8 s ALA 1076Cb -0.17 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1ih8 s ALA 1076CO 0.04 0.16 -0.10 0.54 0.00 0.00 0.00 175.76 176.40 1ih8 s VAL 1077N 0.15 0.94 0.03 0.00 0.11 -0.40 -0.52 120.40 120.71 1ih8 s VAL 1077Ca 0.21 -0.38 -0.25 0.00 -2.93 0.00 0.00 61.98 58.63 1ih8 s VAL 1077Cb -0.14 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1ih8 s VAL 1077CO 0.08 0.31 0.76 -0.13 -3.33 0.00 0.00 175.10 172.79 1ih8 s ARG 1078N 0.62 4.49 -0.52 1.54 1.81 -0.46 -0.38 118.95 126.05 1ih8 s ARG 1078Ca -0.12 1.05 0.07 0.00 -1.72 0.00 0.00 55.73 55.02 1ih8 s ARG 1078Cb -0.14 -3.38 0.33 0.00 -0.45 0.00 0.00 34.95 31.31 1ih8 s ARG 1078CO 0.02 0.24 0.86 1.28 -0.68 0.00 0.00 175.30 177.02 1ih8 n LEU 1079N 2.99 3.25 -4.79 2.53 4.77 -1.26 -1.18 117.00 123.31 1ih8 n LEU 1079Ca -0.02 -5.44 -0.32 0.00 -0.03 0.00 0.00 56.01 50.19 1ih8 n LEU 1079Cb 0.50 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1ih8 n LEU 1079CO 0.47 2.31 0.72 -2.16 -1.33 0.00 0.00 177.39 177.40 1ih8 s PRO 1080N -3.03 2.91 -0.63 3.23 0.04 -1.25 -4.70 135.00 131.55 1ih8 s PRO 1080Ca 0.45 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1ih8 s PRO 1080Cb 0.29 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 33.02 1ih8 s PRO 1080CO -0.11 -1.14 0.49 -1.58 0.04 0.00 0.00 177.00 174.69 1ih8 s HIS 1081N -2.63 3.51 0.00 0.56 2.46 -1.26 -1.65 115.29 116.27 1ih8 s HIS 1081Ca 0.63 -2.38 0.00 0.00 0.47 0.00 0.00 55.06 53.78 1ih8 s HIS 1081Cb -0.17 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 28.88 1ih8 s HIS 1081CO 0.45 -0.91 0.00 0.41 -2.47 0.00 0.00 174.74 172.22 1ih8 n GLY 1082N 3.92 1.72 0.00 1.59 0.00 -1.26 -4.86 105.19 106.30 1ih8 n GLY 1082Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ih8 n GLY 1082CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ih8 n GLU 1087N 0.00 0.00 -0.18 1.61 4.07 -1.26 -5.02 120.64 119.87 1ih8 n GLU 1087Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1ih8 n GLU 1087Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 1ih8 n GLU 1087CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1ih8 h ASP 1088N 0.00 -0.02 -0.66 4.31 5.19 -1.99 0.79 116.42 124.05 1ih8 h ASP 1088Ca 0.00 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1ih8 h ASP 1088Cb 0.00 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1ih8 h ASP 1088CO 0.00 0.01 0.34 0.44 -3.12 0.00 0.00 179.24 176.91 1ih8 h ASP 1089N 0.24 0.85 -0.34 6.45 5.19 -1.91 0.44 116.42 127.34 1ih8 h ASP 1089Ca 0.28 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1ih8 h ASP 1089Cb 0.40 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1ih8 h ASP 1089CO -0.37 0.72 0.17 0.00 -3.12 0.00 0.00 179.24 176.64 1ih8 h ALA 1090N 1.16 0.43 -0.76 3.45 0.00 -1.48 0.10 119.26 122.17 1ih8 h ALA 1090Ca 0.23 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1ih8 h ALA 1090Cb 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1ih8 h ALA 1090CO -0.03 -0.03 0.45 1.96 0.00 0.00 0.00 179.25 181.60 1ih8 h GLN 1091N 0.41 0.80 -0.79 0.00 1.08 -0.47 -0.69 115.11 115.45 1ih8 h GLN 1091Ca 0.12 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1ih8 h GLN 1091Cb 0.08 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1ih8 h GLN 1091CO -0.02 0.53 0.30 1.25 -0.95 0.00 0.00 178.83 179.95 1ih8 h LEU 1092N 0.82 1.09 -0.66 1.46 5.85 -0.26 -1.70 115.31 121.91 1ih8 h LEU 1092Ca 0.33 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ih8 h LEU 1092Cb 0.18 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1ih8 h LEU 1092CO -0.18 0.97 0.33 0.00 -0.34 0.00 0.00 178.44 179.23 1ih8 h ALA 1093N 1.18 0.85 -0.81 1.25 0.00 0.35 -2.17 119.26 119.91 1ih8 h ALA 1093Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ih8 h ALA 1093Cb 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ih8 h ALA 1093CO -0.02 0.40 0.34 -0.07 0.00 0.00 0.00 179.25 179.90 1ih8 h LEU 1094N 0.91 1.11 -1.51 0.00 3.38 -0.78 0.25 115.31 118.67 1ih8 h LEU 1094Ca 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ih8 h LEU 1094Cb 0.10 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ih8 h LEU 1094CO -0.03 0.98 -0.10 0.11 0.09 0.00 0.00 178.44 179.49 1ih8 h LYS 1095N 1.18 0.20 0.05 1.13 1.57 -0.85 -0.74 116.57 119.10 1ih8 h LYS 1095Ca 0.27 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1ih8 h LYS 1095Cb 0.20 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ih8 h LYS 1095CO -0.02 0.30 -0.71 0.35 -0.57 0.00 0.00 179.45 178.80 1ih8 h PHE 1096N 0.19 0.19 -0.71 -1.35 3.57 -0.84 -3.36 116.94 114.63 1ih8 h PHE 1096Ca 0.04 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.41 1ih8 h PHE 1096Cb 0.30 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1ih8 h PHE 1096CO 0.00 1.27 0.47 0.82 -2.23 0.00 0.00 178.31 178.65 1ih8 h ILE 1097N -0.74 1.17 -5.79 1.41 2.04 -0.48 -3.48 117.51 111.65 1ih8 h ILE 1097Ca -0.16 -0.33 -0.33 0.00 1.00 0.00 0.00 64.86 65.04 1ih8 h ILE 1097Cb 1.34 0.13 0.15 0.00 -0.74 0.00 0.00 36.82 37.70 1ih8 h ILE 1097CO -0.01 0.17 -0.89 0.29 0.00 0.00 0.00 178.15 177.72 1ih8 n LYS 1098N -4.60 -1.78 -1.85 2.37 5.02 -0.29 -4.85 118.16 112.19 1ih8 n LYS 1098Ca 0.07 0.70 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1ih8 n LYS 1098Cb 0.03 -5.08 0.04 0.00 -0.02 0.00 0.00 35.03 30.00 1ih8 n LYS 1098CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ih8 s PRO 1099N -5.06 2.89 0.20 1.97 0.04 -1.26 -4.94 135.00 128.83 1ih8 s PRO 1099Ca 0.46 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1ih8 s PRO 1099Cb -0.11 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1ih8 s PRO 1099CO 0.79 -1.19 1.83 -0.44 0.04 0.00 0.00 177.00 178.03 1ih8 h ASP 1100N 0.26 0.61 -4.26 6.66 3.32 -1.91 -3.43 116.42 117.68 1ih8 h ASP 1100Ca -0.47 0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.16 1ih8 h ASP 1100Cb 1.25 -0.12 -0.26 0.00 0.22 0.00 0.00 39.33 40.42 1ih8 h ASP 1100CO 0.54 0.42 -0.79 -0.54 -1.72 0.00 0.00 179.24 177.16 1ih8 s LYS 1101N -6.12 0.86 -0.27 3.56 1.02 -0.84 -5.02 119.74 112.93 1ih8 s LYS 1101Ca -0.13 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1ih8 s LYS 1101Cb 0.15 -0.83 0.07 0.00 -0.52 0.00 0.00 37.83 36.69 1ih8 s LYS 1101CO 0.76 0.21 -0.04 0.45 -0.92 0.00 0.00 175.35 175.81 1ih8 s SER 1102N -0.78 4.27 0.46 2.83 0.15 -1.26 -0.84 113.70 118.53 1ih8 s SER 1102Ca 0.02 -1.49 0.07 0.00 0.70 0.00 0.00 55.95 55.24 1ih8 s SER 1102Cb -0.06 -1.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1ih8 s SER 1102CO 0.00 -0.26 0.31 0.26 1.20 0.00 0.00 173.24 174.76 1ih8 s TRP 1103N 1.20 2.33 -0.16 3.44 0.52 0.32 -5.00 118.94 121.59 1ih8 s TRP 1103Ca -0.03 -0.64 -0.15 0.00 0.02 0.00 0.00 56.10 55.31 1ih8 s TRP 1103Cb -0.19 -2.01 0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1ih8 s TRP 1103CO -0.07 -0.12 0.43 0.21 0.02 0.00 0.00 176.95 177.42 1ih8 s LYS 1104N -4.09 0.50 -0.19 4.98 2.36 -1.26 -1.36 119.74 120.68 1ih8 s LYS 1104Ca 0.41 0.62 -0.04 0.00 -2.55 0.00 0.00 55.97 54.41 1ih8 s LYS 1104Cb -0.00 0.22 0.08 0.00 -1.05 0.00 0.00 37.83 37.08 1ih8 s LYS 1104CO 0.24 -0.07 0.17 0.12 1.55 0.00 0.00 175.35 177.36 1ih8 s PHE 1105N 0.34 -0.12 -0.31 4.03 5.36 -0.33 -4.93 117.98 122.03 1ih8 s PHE 1105Ca -0.01 0.06 -0.28 0.00 -0.96 0.00 0.00 56.93 55.75 1ih8 s PHE 1105Cb -0.04 -0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.19 1ih8 s PHE 1105CO -0.01 -0.56 1.02 0.34 -1.46 0.00 0.00 175.22 174.55 1ih8 s ASP 1106N 2.26 6.89 0.00 6.13 -1.08 -1.26 -3.92 116.67 125.69 1ih8 s ASP 1106Ca 0.05 1.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.38 1ih8 s ASP 1106Cb -0.16 -2.52 1.52 0.00 -1.46 0.00 0.00 42.92 40.31 1ih8 s ASP 1106CO -0.11 -0.81 2.03 2.30 0.52 0.00 0.00 175.17 179.11 1ih8 n ILE 1107N 5.76 0.00 -0.03 4.11 -5.35 -0.66 -4.39 119.36 118.80 1ih8 n ILE 1107Ca 0.10 -0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1ih8 n ILE 1107Cb 0.47 -0.35 -0.06 0.00 -1.74 0.00 0.00 39.64 37.96 1ih8 n ILE 1107CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ih8 h LYS 1108N 0.24 -0.44 -0.23 6.28 1.63 -1.89 -1.87 116.57 120.28 1ih8 h LYS 1108Ca 0.00 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ih8 h LYS 1108Cb 0.24 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1ih8 h LYS 1108CO 0.00 -0.29 0.14 0.66 -3.45 0.00 0.00 179.45 176.50 1ih8 h SER 1109N -0.46 0.27 -0.02 4.20 4.64 -1.98 -0.97 113.55 119.24 1ih8 h SER 1109Ca 0.09 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1ih8 h SER 1109Cb 0.62 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ih8 h SER 1109CO -0.44 0.21 -0.03 0.74 -0.87 0.00 0.00 176.83 176.44 1ih8 h THR 1110N 0.32 1.46 -0.56 2.95 2.02 -1.75 -1.93 112.91 115.41 1ih8 h THR 1110Ca 0.08 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1ih8 h THR 1110Cb -0.00 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1ih8 h THR 1110CO -0.02 0.37 0.21 0.58 0.37 0.00 0.00 175.52 177.04 1ih8 h VAL 1111N -0.52 1.21 -0.42 3.16 2.07 -1.15 -1.26 116.25 119.34 1ih8 h VAL 1111Ca 0.00 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1ih8 h VAL 1111Cb 0.62 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1ih8 h VAL 1111CO 0.01 0.26 -0.06 0.28 0.02 0.00 0.00 177.57 178.08 1ih8 h SER 1112N 0.81 0.78 -0.44 0.57 0.02 -1.20 0.14 113.55 114.23 1ih8 h SER 1112Ca 0.19 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1ih8 h SER 1112Cb 0.18 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1ih8 h SER 1112CO -0.02 0.93 0.23 0.00 -1.14 0.00 0.00 176.83 176.84 1ih8 h ALA 1113N 0.87 0.57 -0.10 3.77 0.00 -0.97 0.14 119.26 123.54 1ih8 h ALA 1113Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ih8 h ALA 1113Cb 0.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ih8 h ALA 1113CO 0.03 0.11 0.05 0.35 0.00 0.00 0.00 179.25 179.79 1ih8 h PHE 1114N 0.58 0.14 -0.52 0.00 3.57 -1.07 -0.84 116.94 118.81 1ih8 h PHE 1114Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1ih8 h PHE 1114Cb 0.08 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1ih8 h PHE 1114CO -0.02 0.20 0.33 1.03 -2.23 0.00 0.00 178.31 177.62 1ih8 h SER 1115N 0.04 0.55 -0.58 0.41 0.87 -0.50 0.11 113.55 114.46 1ih8 h SER 1115Ca 0.03 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 1ih8 h SER 1115Cb 0.11 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1ih8 h SER 1115CO -0.00 0.40 -0.01 0.44 -0.53 0.00 0.00 176.83 177.12 1ih8 h ASP 1116N 0.66 1.02 -0.49 6.23 3.32 -0.90 -2.13 116.42 124.14 1ih8 h ASP 1116Ca 0.20 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1ih8 h ASP 1116Cb -0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1ih8 h ASP 1116CO -0.06 1.07 0.08 -0.61 -1.72 0.00 0.00 179.24 178.00 1ih8 h GLN 1117N 0.95 0.81 -0.54 3.56 5.75 -0.76 -1.74 115.11 123.14 1ih8 h GLN 1117Ca 0.17 -0.21 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1ih8 h GLN 1117Cb 0.56 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 1ih8 h GLN 1117CO 0.03 0.81 0.31 -0.92 -2.65 0.00 0.00 178.83 176.41 1ih8 h TYR 1118N 0.68 0.58 -0.55 3.99 3.20 -0.58 -0.19 116.97 124.10 1ih8 h TYR 1118Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ih8 h TYR 1118Cb 0.39 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1ih8 h TYR 1118CO 0.03 0.31 0.17 0.37 -1.64 0.00 0.00 178.16 177.40 1ih8 h GLN 1119N 0.61 0.85 0.00 1.82 -0.00 -1.21 -0.24 115.11 116.94 1ih8 h GLN 1119Ca 0.22 -0.19 -0.13 0.00 -0.00 0.00 0.00 58.65 58.56 1ih8 h GLN 1119Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 1ih8 h GLN 1119CO -0.12 0.78 -0.62 -0.56 0.00 0.00 0.00 178.83 178.31 1ih8 h GLN 1120N 0.76 0.00 0.12 1.69 3.07 -0.94 0.36 115.11 120.17 1ih8 h GLN 1120Ca 0.18 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.69 1ih8 h GLN 1120Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.87 1ih8 h GLN 1120CO -0.00 0.62 -0.94 0.93 0.09 0.00 0.00 178.83 179.53 1ih8 h GLU 1121N 0.00 0.42 0.00 0.06 4.39 -0.86 -3.38 114.58 115.21 1ih8 h GLU 1121Ca -0.01 -0.62 -0.01 0.00 0.34 0.00 0.00 59.36 59.07 1ih8 h GLU 1121Cb 1.10 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1ih8 h GLU 1121CO 0.08 1.27 -1.95 0.25 -1.16 0.00 0.00 179.01 177.50 1ih8 n THR 1122N -4.03 0.04 -0.72 1.13 -2.24 -0.12 -4.96 114.28 103.38 1ih8 n THR 1122Ca -0.13 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1ih8 n THR 1122Cb 0.86 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1ih8 n THR 1122CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ih8 n GLY 1123N 1.35 1.08 3.69 3.38 0.00 0.13 -5.01 105.19 109.82 1ih8 n GLY 1123Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1ih8 n GLY 1123CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ih8 s ASP 1124N -3.07 5.28 0.12 1.61 1.01 -1.24 -5.00 116.67 115.38 1ih8 s ASP 1124Ca 0.00 0.15 -0.24 0.00 0.71 0.00 0.00 52.55 53.16 1ih8 s ASP 1124Cb 0.00 -1.49 -0.07 0.00 1.01 0.00 0.00 42.92 42.37 1ih8 s ASP 1124CO 0.00 0.37 0.74 -1.58 0.21 0.00 0.00 175.17 174.91 1ih8 s GLN 1125N -0.95 4.49 -0.06 8.23 0.74 -1.26 -3.47 119.66 127.38 1ih8 s GLN 1125Ca 0.14 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.32 1ih8 s GLN 1125Cb -0.11 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1ih8 s GLN 1125CO 0.03 0.50 1.57 -1.17 -0.55 0.00 0.00 175.29 175.67 1ih8 s LEU 1126N -0.82 4.30 1.00 3.68 2.96 -1.26 -4.98 118.68 123.56 1ih8 s LEU 1126Ca 0.35 2.15 -0.11 0.00 -0.22 0.00 0.00 54.13 56.30 1ih8 s LEU 1126Cb -0.22 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.12 1ih8 s LEU 1126CO 0.24 -0.88 1.09 0.42 -1.32 0.00 0.00 176.35 175.90 1ih8 s THR 1127N 3.71 2.25 0.19 3.68 -4.23 -1.26 -4.69 115.64 115.29 1ih8 s THR 1127Ca 0.69 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 61.17 1ih8 s THR 1127Cb -0.32 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.37 1ih8 s THR 1127CO 0.27 -0.11 1.83 -0.78 -0.54 0.00 0.00 174.62 175.29 1ih8 h ASP 1128N -2.04 0.61 -0.29 3.99 -0.00 -1.98 0.43 116.42 117.13 1ih8 h ASP 1128Ca -0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.49 1ih8 h ASP 1128Cb 1.29 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 40.48 1ih8 h ASP 1128CO 0.49 0.43 0.09 0.15 -0.00 0.00 0.00 179.24 180.39 1ih8 h PHE 1129N 0.74 0.48 -0.08 0.28 3.57 -1.99 -1.18 116.94 118.75 1ih8 h PHE 1129Ca 0.24 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1ih8 h PHE 1129Cb 0.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1ih8 h PHE 1129CO -0.05 0.50 -0.54 -0.91 -2.23 0.00 0.00 178.31 175.08 1ih8 h ASN 1130N 0.32 0.25 0.07 0.41 2.35 -1.88 -2.59 115.58 114.51 1ih8 h ASN 1130Ca 0.09 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1ih8 h ASN 1130Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1ih8 h ASN 1130CO -0.00 0.74 -0.29 0.50 -1.65 0.00 0.00 177.43 176.73 1ih8 h LYS 1131N 0.17 0.34 -0.70 0.81 3.64 -0.77 -1.94 116.57 118.11 1ih8 h LYS 1131Ca 0.00 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1ih8 h LYS 1131Cb 1.01 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1ih8 h LYS 1131CO 0.08 0.60 0.24 0.78 -2.27 0.00 0.00 179.45 178.88 1ih8 h GLY 1132N 1.04 1.15 1.96 5.01 0.00 -0.84 -1.10 103.07 110.29 1ih8 h GLY 1132Ca 0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1ih8 h GLY 1132CO 0.05 0.61 -0.52 3.43 0.00 0.00 0.00 176.54 180.11 1ih8 h ASN 1133N 1.04 0.05 -0.50 0.19 2.35 -1.13 -2.02 115.58 115.55 1ih8 h ASN 1133Ca 0.23 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1ih8 h ASN 1133Cb 0.26 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1ih8 h ASN 1133CO -0.01 0.56 0.04 0.58 -1.65 0.00 0.00 177.43 176.94 1ih8 h VAL 1134N 0.04 1.26 -0.48 2.81 2.07 -0.62 -0.03 116.25 121.30 1ih8 h VAL 1134Ca -0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1ih8 h VAL 1134Cb 0.93 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1ih8 h VAL 1134CO 0.07 0.36 0.31 0.11 0.02 0.00 0.00 177.57 178.44 1ih8 h LYS 1135N 0.73 0.63 -0.54 1.57 1.57 -0.87 0.11 116.57 119.78 1ih8 h LYS 1135Ca 0.15 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1ih8 h LYS 1135Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1ih8 h LYS 1135CO 0.02 0.42 0.19 0.00 -0.57 0.00 0.00 179.45 179.51 1ih8 h ALA 1136N 1.17 0.71 0.00 3.86 0.00 -1.13 -1.93 119.26 121.94 1ih8 h ALA 1136Ca 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ih8 h ALA 1136Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ih8 h ALA 1136CO -0.04 0.35 -0.44 0.00 0.00 0.00 0.00 179.25 179.13 1ih8 h ARG 1137N 0.74 0.00 -0.12 0.00 3.08 -0.72 -2.63 114.38 114.74 1ih8 h ARG 1137Ca 0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 1ih8 h ARG 1137Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ih8 h ARG 1137CO -0.01 0.44 -0.52 1.15 -1.07 0.00 0.00 179.97 179.96 1ih8 h THR 1138N 0.00 1.34 -0.09 2.04 2.02 -0.46 -1.59 112.91 116.17 1ih8 h THR 1138Ca -0.00 -1.78 -0.08 0.00 0.77 0.00 0.00 66.41 65.31 1ih8 h THR 1138Cb 0.91 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1ih8 h THR 1138CO 0.06 0.53 -0.33 0.03 0.37 0.00 0.00 175.52 176.18 1ih8 h ARG 1139N 0.26 0.18 -0.15 6.66 3.08 -1.08 -0.13 114.38 123.20 1ih8 h ARG 1139Ca 0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1ih8 h ARG 1139Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1ih8 h ARG 1139CO 0.09 0.49 -0.01 1.98 -1.07 0.00 0.00 179.97 181.45 1ih8 h MET 1140N 0.16 0.27 -0.96 0.04 4.05 -1.08 -1.44 114.93 115.97 1ih8 h MET 1140Ca 0.02 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1ih8 h MET 1140Cb 0.66 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 1ih8 h MET 1140CO 0.05 0.52 0.62 0.82 0.23 0.00 0.00 176.91 179.15 1ih8 h ILE 1141N -0.01 1.25 -0.16 1.77 2.04 -0.92 -0.67 117.51 120.82 1ih8 h ILE 1141Ca 0.04 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ih8 h ILE 1141Cb 0.40 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1ih8 h ILE 1141CO 0.01 0.25 0.10 0.00 0.00 0.00 0.00 178.15 178.50 1ih8 h ALA 1142N 1.34 0.21 -0.64 1.87 0.00 -0.83 0.18 119.26 121.39 1ih8 h ALA 1142Ca 0.35 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ih8 h ALA 1142Cb -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1ih8 h ALA 1142CO -0.07 -0.27 0.11 1.96 0.00 0.00 0.00 179.25 180.97 1ih8 h GLN 1143N 0.18 1.04 0.00 0.00 4.20 -0.94 -1.92 115.11 117.67 1ih8 h GLN 1143Ca 0.06 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1ih8 h GLN 1143Cb 0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1ih8 h GLN 1143CO -0.01 0.95 -0.39 1.88 -0.67 0.00 0.00 178.83 180.59 1ih8 h TYR 1144N 0.98 0.00 -0.22 2.96 -1.99 -0.88 0.03 116.97 117.84 1ih8 h TYR 1144Ca 0.20 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.85 1ih8 h TYR 1144Cb 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 1ih8 h TYR 1144CO 0.03 0.39 -0.17 0.00 -0.00 0.00 0.00 178.16 178.40 1ih8 h ALA 1145N 1.61 0.32 -0.30 3.88 0.00 -0.21 0.67 119.26 125.23 1ih8 h ALA 1145Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1ih8 h ALA 1145Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ih8 h ALA 1145CO 0.05 0.22 0.12 0.82 0.00 0.00 0.00 179.25 180.46 1ih8 h ILE 1146N 0.20 1.18 -0.57 0.00 2.04 -1.18 -0.29 117.51 118.90 1ih8 h ILE 1146Ca 0.04 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1ih8 h ILE 1146Cb 0.70 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1ih8 h ILE 1146CO 0.04 0.19 0.35 1.23 0.00 0.00 0.00 178.15 179.96 1ih8 h GLY 1147N 0.34 0.81 1.21 5.37 0.00 -0.90 0.17 103.07 110.05 1ih8 h GLY 1147Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1ih8 h GLY 1147CO -0.01 0.22 -0.05 -1.33 0.00 0.00 0.00 176.54 175.37 1ih8 h GLY 1148N 0.68 1.02 1.14 4.60 0.00 -0.64 0.19 103.07 110.07 1ih8 h GLY 1148Ca 0.23 -0.76 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 1ih8 h GLY 1148CO -0.10 0.70 -0.48 1.46 0.00 0.00 0.00 176.54 178.12 1ih8 h GLN 1149N 0.86 0.91 -0.23 4.80 1.08 -0.63 -3.32 115.11 118.58 1ih8 h GLN 1149Ca 0.15 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1ih8 h GLN 1149Cb 0.58 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1ih8 h GLN 1149CO 0.03 1.18 0.00 0.39 -0.95 0.00 0.00 178.83 179.49 1ih8 n GLU 1150N -4.03 2.19 -2.78 1.46 -0.58 0.55 -4.98 120.64 112.46 1ih8 n GLU 1150Ca -0.03 -2.00 -0.12 0.00 -0.42 0.00 0.00 57.16 54.58 1ih8 n GLU 1150Cb 0.59 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 30.05 1ih8 n GLU 1150CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ih8 n GLY 1151N 1.26 0.10 3.56 0.62 0.00 0.51 -4.77 105.19 106.47 1ih8 n GLY 1151Ca 0.15 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 1ih8 n GLY 1151CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ih8 s LEU 1152N -3.87 2.96 0.05 0.99 1.43 -0.21 -0.81 118.68 119.23 1ih8 s LEU 1152Ca 0.20 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 1ih8 s LEU 1152Cb -0.09 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1ih8 s LEU 1152CO 0.25 0.13 0.59 -0.76 0.23 0.00 0.00 176.35 176.79 1ih8 s LEU 1153N -2.61 4.50 -0.18 1.79 1.43 -0.17 -4.50 118.68 118.94 1ih8 s LEU 1153Ca 0.23 1.25 -0.24 0.00 -1.03 0.00 0.00 54.13 54.34 1ih8 s LEU 1153Cb -0.10 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1ih8 s LEU 1153CO 0.14 0.22 0.79 -0.69 0.23 0.00 0.00 176.35 177.05 1ih8 s VAL 1154N -0.83 4.90 0.24 -1.59 1.01 -1.26 -1.48 120.40 121.39 1ih8 s VAL 1154Ca 0.30 1.55 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 1ih8 s VAL 1154Cb -0.19 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1ih8 s VAL 1154CO 0.19 0.03 0.71 -0.76 0.00 0.00 0.00 175.10 175.27 1ih8 s LEU 1155N 2.18 4.27 0.14 3.92 1.43 -0.72 -0.08 118.68 129.82 1ih8 s LEU 1155Ca 0.36 1.35 0.10 0.00 -1.03 0.00 0.00 54.13 54.91 1ih8 s LEU 1155Cb -0.16 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1ih8 s LEU 1155CO 0.11 -0.03 -0.20 -0.83 0.23 0.00 0.00 176.35 175.64 1ih8 s GLY 1156N -1.83 1.67 -0.05 -3.19 0.00 -0.36 -4.83 107.32 98.73 1ih8 s GLY 1156Ca 0.46 -1.44 0.18 0.00 0.00 0.00 0.00 44.72 43.92 1ih8 s GLY 1156CO 0.20 -1.43 1.51 -1.30 0.00 0.00 0.00 173.10 172.08 1ih8 n THR 1157N 0.67 1.40 -1.78 0.90 -2.24 -1.26 -4.22 114.28 107.74 1ih8 n THR 1157Ca -0.15 -1.13 -0.40 0.00 -2.27 0.00 0.00 64.05 60.10 1ih8 n THR 1157Cb 0.53 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1ih8 n THR 1157CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ih8 s ASP 1158N -1.03 5.89 0.29 3.42 2.15 -1.26 -4.88 116.67 121.25 1ih8 s ASP 1158Ca 0.44 2.96 -0.05 0.00 0.43 0.00 0.00 52.55 56.33 1ih8 s ASP 1158Cb 0.26 -2.66 -0.01 0.00 -0.30 0.00 0.00 42.92 40.22 1ih8 s ASP 1158CO 0.25 -1.17 0.41 -1.38 -0.17 0.00 0.00 175.17 173.11 1ih8 s HIS 1159N -1.19 0.89 0.24 -5.34 -3.43 -1.26 -3.38 115.29 101.82 1ih8 s HIS 1159Ca 0.60 -1.15 -0.06 0.00 -0.80 0.00 0.00 55.06 53.66 1ih8 s HIS 1159Cb -0.45 -0.11 0.34 0.00 -1.43 0.00 0.00 32.58 30.94 1ih8 s HIS 1159CO 0.58 -1.00 1.83 0.00 -2.00 0.00 0.00 174.74 174.15 1ih8 h ALA 1160N 2.24 1.14 0.00 -1.38 0.00 -1.49 0.24 119.26 120.02 1ih8 h ALA 1160Ca -0.29 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1ih8 h ALA 1160Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ih8 h ALA 1160CO 0.40 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 179.64 1ih8 h ALA 1161N 1.41 1.39 0.15 0.00 0.00 -1.89 -1.18 119.26 119.14 1ih8 h ALA 1161Ca 0.37 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 1ih8 h ALA 1161Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ih8 h ALA 1161CO -0.19 0.26 -1.90 1.49 0.00 0.00 0.00 179.25 178.91 1ih8 h GLU 1162N 0.00 0.31 -0.55 0.00 4.81 -1.71 -3.38 114.58 114.06 1ih8 h GLU 1162Ca -0.00 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 1ih8 h GLU 1162Cb 0.45 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1ih8 h GLU 1162CO 0.03 1.24 0.14 0.00 -0.73 0.00 0.00 179.01 179.70 1ih8 h ALA 1163N 0.11 0.72 -0.84 2.92 0.00 -0.37 -1.55 119.26 120.25 1ih8 h ALA 1163Ca -0.39 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.38 1ih8 h ALA 1163Cb 2.06 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 1ih8 h ALA 1163CO 0.12 0.41 0.50 -0.24 0.00 0.00 0.00 179.25 180.05 1ih8 h VAL 1164N 0.77 0.99 -0.01 0.00 3.04 -1.40 -1.63 116.25 118.02 1ih8 h VAL 1164Ca 0.17 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1ih8 h VAL 1164Cb 0.32 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 1ih8 h VAL 1164CO -0.00 0.16 -0.32 0.35 -1.01 0.00 0.00 177.57 176.75 1ih8 n THR 1165N -4.67 0.00 -2.74 3.17 -2.24 -1.19 -3.40 114.28 103.21 1ih8 n THR 1165Ca 0.13 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1ih8 n THR 1165Cb 0.21 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1ih8 n THR 1165CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ih8 n GLY 1166N 1.37 -0.50 3.39 3.38 0.00 -0.59 -4.85 105.19 107.39 1ih8 n GLY 1166Ca 0.11 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1ih8 n GLY 1166CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ih8 s PHE 1167N -2.78 3.65 -0.08 1.61 5.36 -1.20 -4.88 117.98 119.66 1ih8 s PHE 1167Ca 0.14 -2.00 -0.30 0.00 -0.96 0.00 0.00 56.93 53.81 1ih8 s PHE 1167Cb -0.07 -4.04 0.11 0.00 -0.34 0.00 0.00 43.02 38.68 1ih8 s PHE 1167CO 0.17 -1.19 0.91 -0.59 -1.46 0.00 0.00 175.22 173.05 1ih8 s PHE 1168N 0.82 -0.40 -0.12 10.12 -0.12 -1.26 -4.99 117.98 122.02 1ih8 s PHE 1168Ca 0.29 0.53 -0.28 0.00 -0.05 0.00 0.00 56.93 57.42 1ih8 s PHE 1168Cb -0.07 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1ih8 s PHE 1168CO -0.07 -0.46 0.95 0.99 -0.05 0.00 0.00 175.22 176.58 1ih8 s THR 1169N -1.90 4.82 0.16 -4.49 2.01 -1.26 -4.92 115.64 110.06 1ih8 s THR 1169Ca -0.00 1.91 -0.31 0.00 0.31 0.00 0.00 61.69 63.60 1ih8 s THR 1169Cb -0.01 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1ih8 s THR 1169CO -0.01 0.02 1.55 -0.75 -0.69 0.00 0.00 174.62 174.74 1ih8 s LYS 1170N 2.00 4.22 -0.19 4.92 2.20 -1.26 -0.89 119.74 130.74 1ih8 s LYS 1170Ca 0.45 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1ih8 s LYS 1170Cb -0.18 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1ih8 s LYS 1170CO 0.16 -0.59 0.00 0.66 -0.36 0.00 0.00 175.35 175.23 1ih8 n TYR 1171N 3.92 0.00 0.00 4.03 0.53 -1.26 -4.90 117.16 119.48 1ih8 n TYR 1171Ca 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.01 1ih8 n TYR 1171Cb 0.39 -1.20 0.00 0.00 -1.03 0.00 0.00 39.34 37.49 1ih8 n TYR 1171CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ih8 n GLY 1172N -1.05 0.74 0.00 2.72 0.00 -0.07 -4.52 105.19 103.02 1ih8 n GLY 1172Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1ih8 n GLY 1172CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ih8 n ASP 1173N 0.00 0.01 0.04 1.61 3.85 -1.21 -1.77 116.55 119.08 1ih8 n ASP 1173Ca 0.00 0.50 0.13 0.00 -0.71 0.00 0.00 54.79 54.71 1ih8 n ASP 1173Cb 0.00 -0.50 0.45 0.00 -1.35 0.00 0.00 41.12 39.72 1ih8 n ASP 1173CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ih8 n GLY 1174N 0.41 -1.54 3.57 6.12 0.00 -0.96 -4.59 105.19 108.21 1ih8 n GLY 1174Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ih8 n GLY 1174CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih8 s GLY 1175N -3.28 1.78 0.32 -0.02 0.00 -0.73 -4.70 107.32 100.69 1ih8 s GLY 1175Ca 0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.81 1ih8 s GLY 1175CO 0.59 1.40 0.68 0.00 0.00 0.00 0.00 173.10 175.78 1ih8 s ALA 1176N 2.58 -0.71 -0.17 3.20 0.00 -1.26 -4.89 121.76 120.50 1ih8 s ALA 1176Ca 0.23 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1ih8 s ALA 1176Cb -0.15 0.85 -0.22 0.00 0.00 0.00 0.00 23.12 23.60 1ih8 s ALA 1176CO 0.14 -0.97 0.14 -0.25 0.00 0.00 0.00 175.76 174.82 1ih8 n ASP 1177N -0.87 1.62 -3.80 0.00 8.00 0.88 -4.97 116.55 117.41 1ih8 n ASP 1177Ca -0.05 0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 1ih8 n ASP 1177Cb 0.60 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 1ih8 n ASP 1177CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ih8 s LEU 1178N -6.51 1.08 -0.32 0.64 2.34 -1.13 -5.02 118.68 109.77 1ih8 s LEU 1178Ca -0.23 -0.12 0.02 0.00 0.06 0.00 0.00 54.13 53.86 1ih8 s LEU 1178Cb 0.08 1.12 0.09 0.00 -0.56 0.00 0.00 46.19 46.92 1ih8 s LEU 1178CO 0.72 -0.49 0.05 -0.76 -1.06 0.00 0.00 176.35 174.81 1ih8 s LEU 1179N -1.65 3.67 0.25 1.48 1.43 -1.26 -1.23 118.68 121.38 1ih8 s LEU 1179Ca -0.10 -1.86 0.25 0.00 -1.03 0.00 0.00 54.13 51.39 1ih8 s LEU 1179Cb -0.04 -1.33 0.91 0.00 0.03 0.00 0.00 46.19 45.76 1ih8 s LEU 1179CO 0.01 -0.37 1.75 1.55 0.23 0.00 0.00 176.35 179.52 1ih8 h PRO 1180N 7.81 0.00 -0.19 1.29 0.13 -1.88 -3.25 132.00 135.91 1ih8 h PRO 1180Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1ih8 h PRO 1180Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ih8 h PRO 1180CO 0.49 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.54 1ih8 n LEU 1181N -2.30 2.71 -4.64 1.56 4.77 -1.26 -4.86 117.00 112.99 1ih8 n LEU 1181Ca 0.03 -1.05 -0.47 0.00 -0.03 0.00 0.00 56.01 54.49 1ih8 n LEU 1181Cb 0.32 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1ih8 n LEU 1181CO 0.25 0.53 0.96 0.41 -1.33 0.00 0.00 177.39 178.21 1ih8 n THR 1182N 1.05 0.61 0.00 -5.08 -1.04 -1.22 -2.30 114.28 106.30 1ih8 n THR 1182Ca 0.17 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1ih8 n THR 1182Cb 0.52 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1ih8 n THR 1182CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ih8 n GLY 1183N 2.43 3.30 3.76 3.41 0.00 -1.21 -4.90 105.19 111.99 1ih8 n GLY 1183Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ih8 n GLY 1183CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ih8 s LEU 1184N 0.00 4.62 0.70 0.99 1.43 -0.97 -4.02 118.68 121.42 1ih8 s LEU 1184Ca 0.00 1.81 -0.06 0.00 -1.03 0.00 0.00 54.13 54.85 1ih8 s LEU 1184Cb 0.00 -3.48 0.07 0.00 0.03 0.00 0.00 46.19 42.81 1ih8 s LEU 1184CO 0.00 0.16 1.00 0.42 0.23 0.00 0.00 176.35 178.17 1ih8 s THR 1185N -1.08 2.29 0.16 5.49 -4.23 -1.26 -1.53 115.64 115.49 1ih8 s THR 1185Ca 0.39 -0.33 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 1ih8 s THR 1185Cb -0.25 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1ih8 s THR 1185CO 0.29 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.65 1ih8 h LYS 1186N -0.57 0.35 -0.02 3.99 1.63 -1.94 -1.97 116.57 118.05 1ih8 h LYS 1186Ca -0.44 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.22 1ih8 h LYS 1186Cb 1.31 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 1ih8 h LYS 1186CO 0.57 0.23 -0.55 0.07 -3.45 0.00 0.00 179.45 176.32 1ih8 h ARG 1187N 0.36 0.05 -0.44 1.90 0.11 -1.94 -2.19 114.38 112.24 1ih8 h ARG 1187Ca 0.17 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 60.12 1ih8 h ARG 1187Cb 0.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 1ih8 h ARG 1187CO -0.13 0.59 -0.11 1.96 0.10 0.00 0.00 179.97 182.38 1ih8 h GLN 1188N 0.04 0.79 -0.77 0.08 4.20 -1.87 0.19 115.11 117.77 1ih8 h GLN 1188Ca -0.00 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1ih8 h GLN 1188Cb 0.99 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1ih8 h GLN 1188CO 0.07 0.87 0.34 0.78 -0.67 0.00 0.00 178.83 180.23 1ih8 h GLY 1189N 0.97 1.20 1.00 3.46 0.00 -1.07 -0.12 103.07 108.52 1ih8 h GLY 1189Ca 0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ih8 h GLY 1189CO 0.04 0.59 0.38 -0.09 0.00 0.00 0.00 176.54 177.46 1ih8 h ARG 1190N 1.09 0.87 -0.94 4.80 2.43 -0.73 -1.42 114.38 120.48 1ih8 h ARG 1190Ca 0.26 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1ih8 h ARG 1190Cb 0.16 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1ih8 h ARG 1190CO -0.03 0.63 0.61 1.15 -1.51 0.00 0.00 179.97 180.82 1ih8 h THR 1191N 0.87 1.25 -0.45 0.20 2.02 0.39 -1.05 112.91 116.14 1ih8 h THR 1191Ca 0.23 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1ih8 h THR 1191Cb -0.02 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.25 1ih8 h THR 1191CO -0.04 0.24 0.02 -0.07 0.37 0.00 0.00 175.52 176.03 1ih8 h LEU 1192N 1.28 0.76 -1.13 2.58 4.07 -0.42 -1.80 115.31 120.64 1ih8 h LEU 1192Ca 0.34 -0.30 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1ih8 h LEU 1192Cb -0.13 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 1ih8 h LEU 1192CO -0.07 0.87 0.26 -0.07 -1.08 0.00 0.00 178.44 178.35 1ih8 h LEU 1193N 0.63 0.79 -0.31 1.67 3.38 -0.77 -0.69 115.31 120.01 1ih8 h LEU 1193Ca 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ih8 h LEU 1193Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ih8 h LEU 1193CO 0.02 0.70 0.05 0.50 0.09 0.00 0.00 178.44 179.80 1ih8 h LYS 1194N 0.86 0.51 -0.16 1.13 3.64 -0.96 -1.57 116.57 120.02 1ih8 h LYS 1194Ca 0.21 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1ih8 h LYS 1194Cb 0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ih8 h LYS 1194CO -0.02 0.60 -0.12 1.49 -2.27 0.00 0.00 179.45 179.14 1ih8 h GLU 1195N 0.34 0.25 0.00 1.90 4.57 -0.91 -1.42 114.58 119.32 1ih8 h GLU 1195Ca 0.10 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ih8 h GLU 1195Cb 0.34 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1ih8 h GLU 1195CO 0.01 0.38 0.00 1.28 -1.18 0.00 0.00 179.01 179.49 1ih8 n LEU 1196N -4.28 0.00 0.00 1.64 4.77 -0.30 -4.87 117.00 113.96 1ih8 n LEU 1196Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ih8 n LEU 1196Cb 0.26 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ih8 n LEU 1196CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ih8 n GLY 1197N 0.49 0.51 3.77 -0.72 0.00 -0.53 -5.04 105.19 103.67 1ih8 n GLY 1197Ca 0.13 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1ih8 n GLY 1197CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ih8 s ALA 1198N -2.00 3.12 0.31 4.61 0.00 -0.63 -4.98 121.76 122.20 1ih8 s ALA 1198Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1ih8 s ALA 1198Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1ih8 s ALA 1198CO 0.00 -0.49 1.31 -1.25 0.00 0.00 0.00 175.76 175.33 1ih8 s PRO 1199N -2.37 4.36 0.32 0.00 0.04 -1.26 -4.74 135.00 131.35 1ih8 s PRO 1199Ca 0.58 2.20 0.04 0.00 0.04 0.00 0.00 61.00 63.86 1ih8 s PRO 1199Cb -0.29 -3.09 0.84 0.00 0.04 0.00 0.00 34.50 32.00 1ih8 s PRO 1199CO 0.36 -0.20 1.56 -1.91 0.04 0.00 0.00 177.00 176.86 1ih8 n GLU 1200N 1.06 -0.08 0.10 4.56 2.13 -1.26 0.43 120.64 127.58 1ih8 n GLU 1200Ca 0.01 1.48 0.20 0.00 0.66 0.00 0.00 57.16 59.51 1ih8 n GLU 1200Cb 0.42 -2.39 0.71 0.00 0.27 0.00 0.00 31.44 30.45 1ih8 n GLU 1200CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ih8 h ARG 1201N 0.00 0.00 0.09 5.31 2.43 -1.92 0.14 114.38 120.42 1ih8 h ARG 1201Ca 0.64 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.44 1ih8 h ARG 1201Cb 1.37 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.89 1ih8 h ARG 1201CO -0.92 0.00 -2.07 1.28 -1.51 0.00 0.00 179.97 176.75 1ih8 n LEU 1202N -3.51 2.48 -0.81 3.80 4.77 0.17 -4.30 117.00 119.60 1ih8 n LEU 1202Ca 0.07 0.16 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1ih8 n LEU 1202Cb 0.68 -0.93 0.30 0.00 -2.33 0.00 0.00 43.42 41.15 1ih8 n LEU 1202CO 0.24 0.82 0.74 0.00 -1.33 0.00 0.00 177.39 177.86 1ih8 n TYR 1203N -3.38 0.32 -3.70 -1.77 0.18 -0.73 -4.11 117.16 103.98 1ih8 n TYR 1203Ca -0.33 -0.16 -0.23 0.00 1.88 0.00 0.00 57.90 59.06 1ih8 n TYR 1203Cb 1.04 0.00 -0.18 0.00 -0.38 0.00 0.00 39.34 39.83 1ih8 n TYR 1203CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ih8 s LEU 1204N -1.54 0.43 0.00 -3.48 1.43 0.40 -4.85 118.68 111.06 1ih8 s LEU 1204Ca 0.34 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1ih8 s LEU 1204Cb 0.20 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.12 1ih8 s LEU 1204CO 0.28 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1ih8 n GLY 1225N 5.22 0.00 3.04 -3.19 0.00 -1.26 -4.95 105.19 104.06 1ih8 n GLY 1225Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ih8 n GLY 1225CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ih8 s ILE 1226N -1.34 0.03 0.60 -0.61 1.01 -1.26 -5.16 121.20 114.47 1ih8 s ILE 1226Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 1ih8 s ILE 1226Cb 0.00 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1ih8 s ILE 1226CO 0.00 -0.16 1.03 -0.94 0.00 0.00 0.00 174.94 174.87 1ih8 s SER 1227N -0.51 6.12 0.19 3.58 1.04 -1.26 -4.98 113.70 117.89 1ih8 s SER 1227Ca -0.06 1.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.89 1ih8 s SER 1227Cb -0.04 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.71 1ih8 s SER 1227CO 0.01 -0.94 1.57 1.88 0.98 0.00 0.00 173.24 176.74 1ih8 h TYR 1228N 0.12 0.90 -0.13 5.02 0.05 -2.01 -2.54 116.97 118.40 1ih8 h TYR 1228Ca -0.45 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.04 1ih8 h TYR 1228Cb 1.20 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1ih8 h TYR 1228CO 0.63 0.99 -0.16 0.22 -1.05 0.00 0.00 178.16 178.80 1ih8 h ASP 1229N 0.65 0.19 -0.28 3.88 3.58 -1.99 0.19 116.42 122.65 1ih8 h ASP 1229Ca 0.07 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 1ih8 h ASP 1229Cb 0.86 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1ih8 h ASP 1229CO 0.07 0.37 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.21 1ih8 h GLU 1230N 0.19 0.67 -0.46 0.28 5.08 -1.91 -1.85 114.58 116.57 1ih8 h GLU 1230Ca 0.04 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1ih8 h GLU 1230Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ih8 h GLU 1230CO 0.02 0.95 0.15 0.82 -1.00 0.00 0.00 179.01 179.95 1ih8 h ILE 1231N 0.40 1.22 -0.48 3.13 2.04 -0.96 -2.11 117.51 120.76 1ih8 h ILE 1231Ca 0.05 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1ih8 h ILE 1231Cb 0.82 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1ih8 h ILE 1231CO 0.07 0.27 0.18 0.44 0.00 0.00 0.00 178.15 179.10 1ih8 h ASP 1232N 0.61 0.63 -0.29 1.72 3.32 -0.59 -1.16 116.42 120.67 1ih8 h ASP 1232Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1ih8 h ASP 1232Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ih8 h ASP 1232CO -0.01 0.59 0.14 0.44 -1.72 0.00 0.00 179.24 178.68 1ih8 h ASP 1233N 0.69 0.37 0.12 6.45 3.45 -0.93 -0.13 116.42 126.44 1ih8 h ASP 1233Ca 0.17 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1ih8 h ASP 1233Cb 0.16 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1ih8 h ASP 1233CO -0.01 0.39 -0.11 0.22 -1.57 0.00 0.00 179.24 178.16 1ih8 h TYR 1234N 0.33 -0.28 -0.86 4.55 3.20 -0.87 0.28 116.97 123.32 1ih8 h TYR 1234Ca 0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1ih8 h TYR 1234Cb 0.12 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1ih8 h TYR 1234CO -0.02 -0.17 0.50 -0.07 -1.64 0.00 0.00 178.16 176.76 1ih8 h LEU 1235N -0.25 1.04 0.00 2.82 3.38 -1.09 -2.34 115.31 118.87 1ih8 h LEU 1235Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ih8 h LEU 1235Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ih8 h LEU 1235CO -0.02 0.81 0.00 -0.62 0.09 0.00 0.00 178.44 178.70 1ih8 n GLU 1236N -4.36 1.00 -1.72 1.13 1.02 -0.07 -4.81 120.64 112.83 1ih8 n GLU 1236Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1ih8 n GLU 1236Cb 0.07 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1ih8 n GLU 1236CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ih8 n GLY 1237N 0.63 0.43 3.97 0.62 0.00 -0.88 -4.48 105.19 105.48 1ih8 n GLY 1237Ca 0.06 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1ih8 n GLY 1237CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ih8 s LYS 1238N -3.47 3.00 0.15 1.61 1.02 0.07 -5.04 119.74 117.09 1ih8 s LYS 1238Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1ih8 s LYS 1238Cb 0.00 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1ih8 s LYS 1238CO 0.00 -0.20 1.12 -1.21 -0.92 0.00 0.00 175.35 174.14 1ih8 s GLU 1239N -4.43 4.55 0.06 1.68 0.41 -1.26 -4.53 118.70 115.18 1ih8 s GLU 1239Ca 0.49 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 1ih8 s GLU 1239Cb -0.10 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 28.92 1ih8 s GLU 1239CO 0.35 -0.01 -0.05 0.14 -0.49 0.00 0.00 175.26 175.21 1ih8 s VAL 1240N 0.06 0.40 0.64 2.63 -7.23 -1.26 -4.94 120.40 110.70 1ih8 s VAL 1240Ca 0.51 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.91 1ih8 s VAL 1240Cb -0.29 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 1ih8 s VAL 1240CO 0.34 -0.80 1.18 -0.94 -0.31 0.00 0.00 175.10 174.57 1ih8 s SER 1241N -2.55 4.98 0.18 4.85 1.04 -1.26 -4.79 113.70 116.16 1ih8 s SER 1241Ca 0.03 2.27 -0.14 0.00 0.48 0.00 0.00 55.95 58.59 1ih8 s SER 1241Cb 0.02 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.74 1ih8 s SER 1241CO -0.05 -1.73 1.69 0.00 0.98 0.00 0.00 173.24 174.13 1ih8 h ALA 1242N 0.44 0.49 -0.81 5.32 0.00 -2.01 -0.90 119.26 121.79 1ih8 h ALA 1242Ca -0.49 0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.74 1ih8 h ALA 1242Cb 1.28 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 1ih8 h ALA 1242CO 0.54 -0.36 0.23 1.57 0.00 0.00 0.00 179.25 181.22 1ih8 h LYS 1243N 0.15 0.26 0.00 0.00 2.10 -1.98 0.48 116.57 117.58 1ih8 h LYS 1243Ca 0.25 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1ih8 h LYS 1243Cb 0.36 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1ih8 h LYS 1243CO -0.38 0.17 0.00 0.28 -2.00 0.00 0.00 179.45 177.53 1ih8 n VAL 1244N -5.16 0.00 -0.29 0.07 0.31 -0.39 -1.37 118.33 111.50 1ih8 n VAL 1244Ca 0.18 1.31 0.11 0.00 -0.01 0.00 0.00 64.34 65.93 1ih8 n VAL 1244Cb 0.56 -2.29 0.27 0.00 -0.91 0.00 0.00 33.84 31.47 1ih8 n VAL 1244CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ih8 h SER 1245N 0.00 0.15 0.01 4.52 4.64 -1.18 0.16 113.55 121.85 1ih8 h SER 1245Ca 0.00 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1ih8 h SER 1245Cb 0.00 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1ih8 h SER 1245CO 0.00 -0.06 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.43 1ih8 h GLU 1246N 0.31 -0.23 -0.09 4.77 4.39 -0.07 0.18 114.58 123.83 1ih8 h GLU 1246Ca 0.53 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 1ih8 h GLU 1246Cb 1.00 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1ih8 h GLU 1246CO -0.57 -0.15 0.04 0.00 -1.16 0.00 0.00 179.01 177.17 1ih8 h ALA 1247N 0.70 0.12 -0.59 3.43 0.00 0.20 -2.06 119.26 121.07 1ih8 h ALA 1247Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ih8 h ALA 1247Cb 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ih8 h ALA 1247CO -0.13 -0.31 0.29 -0.07 0.00 0.00 0.00 179.25 179.03 1ih8 h LEU 1248N 0.02 0.77 -1.36 0.00 4.07 -0.63 0.92 115.31 119.10 1ih8 h LEU 1248Ca 0.03 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 1ih8 h LEU 1248Cb 0.13 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1ih8 h LEU 1248CO -0.00 0.68 -0.28 -0.33 -1.08 0.00 0.00 178.44 177.43 1ih8 h GLU 1249N 0.81 0.06 0.14 1.13 5.08 -0.61 0.30 114.58 121.49 1ih8 h GLU 1249Ca 0.20 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.26 1ih8 h GLU 1249Cb 0.11 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ih8 h GLU 1249CO -0.03 0.34 -1.22 -0.22 -1.00 0.00 0.00 179.01 176.89 1ih8 h LYS 1250N 0.05 0.57 -0.59 2.33 3.64 -0.97 -2.50 116.57 119.10 1ih8 h LYS 1250Ca 0.01 -0.81 0.01 0.00 -1.27 0.00 0.00 60.65 58.59 1ih8 h LYS 1250Cb 0.53 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1ih8 h LYS 1250CO 0.04 1.37 0.39 -0.09 -2.27 0.00 0.00 179.45 178.89 1ih8 h ARG 1251N 0.17 0.77 0.23 1.90 9.65 -0.56 -1.49 114.38 125.05 1ih8 h ARG 1251Ca -0.19 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1ih8 h ARG 1251Cb 1.91 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 30.31 1ih8 h ARG 1251CO 0.23 0.51 -0.17 -0.92 2.80 0.00 0.00 179.97 182.42 1ih8 h TYR 1252N 0.79 -0.45 -0.61 2.20 3.20 -0.95 -2.13 116.97 119.02 1ih8 h TYR 1252Ca 0.22 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1ih8 h TYR 1252Cb -0.08 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1ih8 h TYR 1252CO -0.04 -0.27 0.32 1.03 -1.64 0.00 0.00 178.16 177.57 1ih8 h SER 1253N -0.41 0.47 1.13 -2.11 0.87 -1.15 -2.12 113.55 110.23 1ih8 h SER 1253Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ih8 h SER 1253Cb 0.36 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ih8 h SER 1253CO -0.01 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 1ih8 h MET 1254N 0.60 0.00 -0.37 2.24 -0.00 -1.16 -3.13 114.93 113.12 1ih8 h MET 1254Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.97 1ih8 h MET 1254Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1ih8 h MET 1254CO -0.18 0.00 0.00 0.25 -0.00 0.00 0.00 176.91 176.98 1ih8 n THR 1255N -2.33 1.19 0.13 -0.10 -2.24 -0.81 -4.59 114.28 105.53 1ih8 n THR 1255Ca 0.04 -1.12 0.15 0.00 -2.27 0.00 0.00 64.05 60.85 1ih8 n THR 1255Cb 0.34 0.39 0.69 0.00 -2.10 0.00 0.00 70.33 69.64 1ih8 n THR 1255CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ih8 h GLU 1256N 2.18 0.00 0.00 -0.78 4.57 -1.34 -0.25 114.58 118.95 1ih8 h GLU 1256Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ih8 h GLU 1256Cb 0.86 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1ih8 h GLU 1256CO 0.04 0.00 -0.03 1.12 -1.18 0.00 0.00 179.01 178.96 1ih8 h HIS 1257N 0.00 0.00 0.00 0.92 2.07 -1.85 -0.36 115.15 115.93 1ih8 h HIS 1257Ca 0.13 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 1ih8 h HIS 1257Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1ih8 h HIS 1257CO 0.00 0.03 -0.09 0.87 -3.07 0.00 0.00 177.93 175.67 1ih8 h LYS 1258N 0.00 0.00 -0.39 5.12 1.57 -1.39 -3.25 116.57 118.23 1ih8 h LYS 1258Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ih8 h LYS 1258Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ih8 h LYS 1258CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1ih8 n ARG 1259N -2.33 3.22 -4.19 3.15 1.74 -0.16 -4.98 116.66 113.11 1ih8 n ARG 1259Ca 0.05 -2.63 -0.11 0.00 -0.77 0.00 0.00 57.85 54.38 1ih8 n ARG 1259Cb 0.44 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 1ih8 n ARG 1259CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ih8 s GLN 1260N -2.04 0.96 0.98 5.56 -1.52 -1.16 -5.10 119.66 117.34 1ih8 s GLN 1260Ca 0.39 -1.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.23 1ih8 s GLN 1260Cb 0.28 -0.10 0.18 0.00 -0.22 0.00 0.00 33.01 33.14 1ih8 s GLN 1260CO 0.15 -0.13 1.13 0.14 -0.25 0.00 0.00 175.29 176.32 1ih8 s VAL 1261N -3.76 1.95 0.33 1.09 -7.23 -1.26 -4.91 120.40 106.62 1ih8 s VAL 1261Ca 0.20 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 60.10 1ih8 s VAL 1261Cb 0.06 -2.64 -0.13 0.00 0.56 0.00 0.00 36.38 34.24 1ih8 s VAL 1261CO 0.00 0.00 1.01 -2.65 -0.31 0.00 0.00 175.10 173.15 1ih8 n PRO 1262N -4.04 1.37 -2.38 4.82 -0.02 -1.26 -4.90 135.00 128.58 1ih8 n PRO 1262Ca 0.07 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 1ih8 n PRO 1262Cb 0.59 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1ih8 n PRO 1262CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ih8 s ALA 1263N -1.14 3.43 0.25 3.55 0.00 -1.26 -5.05 121.76 121.55 1ih8 s ALA 1263Ca 0.60 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1ih8 s ALA 1263Cb -0.65 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1ih8 s ALA 1263CO 0.59 -0.29 0.02 -1.54 0.00 0.00 0.00 175.76 174.54 1ih8 s SER 1264N -0.65 1.87 0.21 0.00 1.04 -1.26 -5.02 113.70 109.89 1ih8 s SER 1264Ca 0.47 -1.27 0.16 0.00 0.48 0.00 0.00 55.95 55.79 1ih8 s SER 1264Cb -0.34 0.01 0.81 0.00 0.10 0.00 0.00 66.02 66.60 1ih8 s SER 1264CO 0.43 -0.56 1.50 1.15 0.98 0.00 0.00 173.24 176.74 1ih8 n MET 1265N -0.48 0.11 0.00 4.02 0.00 -1.26 -1.27 117.12 118.23 1ih8 n MET 1265Ca -0.04 0.53 0.14 0.00 0.00 0.00 0.00 57.70 58.33 1ih8 n MET 1265Cb 0.65 -1.79 0.54 0.00 0.00 0.00 0.00 33.22 32.61 1ih8 n MET 1265CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1ih8 n PHE 1266N -2.01 0.00 -3.72 3.17 3.01 -1.26 -4.85 117.46 111.80 1ih8 n PHE 1266Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1ih8 n PHE 1266Cb 0.08 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 1ih8 n PHE 1266CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ih8 s ASP 1267N -2.67 6.36 0.00 4.37 -0.00 -0.40 -5.02 116.67 119.32 1ih8 s ASP 1267Ca 0.23 0.34 0.00 0.00 -0.00 0.00 0.00 52.55 53.12 1ih8 s ASP 1267Cb 0.19 -1.98 0.00 0.00 -0.00 0.00 0.00 42.92 41.13 1ih8 s ASP 1267CO 0.53 -0.06 0.00 0.47 -0.00 0.00 0.00 175.17 176.10 1ih8 n ASP 1268N -0.86 0.21 0.27 0.27 10.43 -1.26 -4.79 116.55 120.83 1ih8 n ASP 1268Ca -0.05 -0.31 0.18 0.00 2.57 0.00 0.00 54.79 57.18 1ih8 n ASP 1268Cb 0.54 0.66 0.95 0.00 1.84 0.00 0.00 41.12 45.11 1ih8 n ASP 1268CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 1ih8 h TRP 1269N 0.00 0.00 -0.00 1.24 5.08 -1.97 -1.41 115.95 118.89 1ih8 h TRP 1269Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1ih8 h TRP 1269Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1ih8 h TRP 1269CO 0.00 0.00 -0.34 -2.67 -1.28 0.00 0.00 178.44 174.15 1ih8 n TRP 1270N -3.49 0.00 1.84 0.12 4.27 -1.26 -5.01 117.44 113.91 1ih8 n TRP 1270Ca -0.01 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.75 1ih8 n TRP 1270Cb 0.23 -0.26 0.87 0.00 -1.36 0.00 0.00 31.31 30.80 1ih8 n TRP 1270CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03