#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy9 n GLU 1003N 0.00 2.45 -3.59 -1.46 -0.58 -1.26 -5.04 120.64 111.17 1iy9 n GLU 1003Ca 0.00 -4.47 -0.40 0.00 -0.42 0.00 0.00 57.16 51.88 1iy9 n GLU 1003Cb 0.00 -2.09 -0.11 0.00 -0.57 0.00 0.00 31.44 28.67 1iy9 n GLU 1003CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1iy9 s LEU 1004N -2.70 4.44 0.03 -4.62 2.96 -1.26 -5.07 118.68 112.45 1iy9 s LEU 1004Ca 0.43 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1iy9 s LEU 1004Cb 0.22 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1iy9 s LEU 1004CO -0.08 -0.26 -0.16 0.26 -1.32 0.00 0.00 176.35 174.79 1iy9 s TRP 1005N 1.65 1.44 -0.22 5.38 0.52 -1.26 -0.65 118.94 125.80 1iy9 s TRP 1005Ca 0.05 -0.34 -0.05 0.00 0.02 0.00 0.00 56.10 55.78 1iy9 s TRP 1005Cb -0.18 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1iy9 s TRP 1005CO 0.08 0.04 -0.00 -0.47 0.02 0.00 0.00 176.95 176.62 1iy9 s TYR 1006N -0.73 3.02 -0.09 -1.98 6.04 0.13 -4.93 117.35 118.80 1iy9 s TYR 1006Ca 0.04 -0.61 -0.00 0.00 0.04 0.00 0.00 57.07 56.54 1iy9 s TYR 1006Cb -0.08 -2.12 -0.03 0.00 -1.04 0.00 0.00 41.96 38.70 1iy9 s TYR 1006CO 0.01 -0.37 -0.07 0.99 -1.54 0.00 0.00 175.55 174.58 1iy9 s THR 1007N 1.27 3.70 -0.25 4.34 2.01 -1.26 -0.91 115.64 124.53 1iy9 s THR 1007Ca 0.04 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1iy9 s THR 1007Cb -0.15 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 69.87 1iy9 s THR 1007CO 0.01 0.57 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.72 1iy9 s GLU 1008N -0.46 2.55 -0.95 4.92 2.12 -0.17 -5.01 118.70 121.71 1iy9 s GLU 1008Ca 0.07 -1.15 -0.24 0.00 0.36 0.00 0.00 54.97 54.01 1iy9 s GLU 1008Cb -0.12 -2.93 0.05 0.00 0.26 0.00 0.00 34.13 31.38 1iy9 s GLU 1008CO 0.02 -0.48 1.39 0.15 -0.54 0.00 0.00 175.26 175.80 1iy9 s LYS 1009N 1.22 3.49 0.02 4.30 -0.14 -1.26 -1.97 119.74 125.41 1iy9 s LYS 1009Ca -0.04 -0.93 0.10 0.00 -1.36 0.00 0.00 55.97 53.75 1iy9 s LYS 1009Cb -0.18 -5.06 0.45 0.00 -1.68 0.00 0.00 37.83 31.36 1iy9 s LYS 1009CO -0.05 -2.18 1.33 1.04 -0.76 0.00 0.00 175.35 174.73 1iy9 n GLN 1010N 8.91 0.01 -3.56 1.68 6.02 -0.33 -4.68 117.38 125.44 1iy9 n GLN 1010Ca 0.25 0.35 -0.11 0.00 -0.01 0.00 0.00 57.00 57.48 1iy9 n GLN 1010Cb 0.50 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 1iy9 n GLN 1010CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iy9 s THR 1011N -3.03 0.04 0.55 5.09 2.01 -0.63 -4.98 115.64 114.69 1iy9 s THR 1011Ca 0.04 -0.37 0.30 0.00 0.31 0.00 0.00 61.69 61.97 1iy9 s THR 1011Cb 0.06 -1.15 0.34 0.00 0.01 0.00 0.00 72.50 71.77 1iy9 s THR 1011CO 0.18 -0.17 2.22 0.11 -0.69 0.00 0.00 174.62 176.27 1iy9 h LYS 1012N 2.20 0.00 -0.27 4.92 1.57 -2.01 -3.05 116.57 119.93 1iy9 h LYS 1012Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1iy9 h LYS 1012Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1iy9 h LYS 1012CO 0.42 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 1iy9 n ASN 1013N -3.78 2.86 -3.56 0.86 3.02 -1.26 -5.02 115.26 108.38 1iy9 n ASN 1013Ca -0.03 -2.14 -0.15 0.00 -0.03 0.00 0.00 54.58 52.23 1iy9 n ASN 1013Cb 0.12 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1iy9 n ASN 1013CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1iy9 s PHE 1014N -1.25 -0.62 0.08 3.10 5.36 -1.15 -5.11 117.98 118.39 1iy9 s PHE 1014Ca 0.22 1.20 -0.20 0.00 -0.96 0.00 0.00 56.93 57.18 1iy9 s PHE 1014Cb 0.13 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.26 1iy9 s PHE 1014CO 0.12 -0.49 0.94 0.41 -1.46 0.00 0.00 175.22 174.74 1iy9 n GLY 1015N 1.31 0.53 3.51 13.12 0.00 -1.26 -1.18 105.19 121.22 1iy9 n GLY 1015Ca -0.16 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 1iy9 n GLY 1015CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iy9 s ILE 1016N -2.10 2.87 -0.06 -0.61 -4.36 -0.83 -4.93 121.20 111.19 1iy9 s ILE 1016Ca 0.22 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1iy9 s ILE 1016Cb -0.02 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.33 1iy9 s ILE 1016CO 0.02 -0.08 -0.01 0.28 0.24 0.00 0.00 174.94 175.39 1iy9 s THR 1017N -1.61 0.40 -0.12 8.37 -1.32 -1.26 -1.00 115.64 119.10 1iy9 s THR 1017Ca 0.23 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.74 1iy9 s THR 1017Cb -0.09 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.35 1iy9 s THR 1017CO 0.13 0.24 -0.01 -0.04 -2.21 0.00 0.00 174.62 172.73 1iy9 s MET 1018N 1.65 3.31 -0.09 7.08 -1.94 -0.09 -4.95 119.30 124.28 1iy9 s MET 1018Ca 0.00 -0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 1iy9 s MET 1018Cb -0.13 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1iy9 s MET 1018CO -0.04 0.50 1.02 0.21 -0.01 0.00 0.00 175.02 176.70 1iy9 s LYS 1019N -0.31 4.43 -0.14 2.03 2.20 -1.26 -0.70 119.74 125.99 1iy9 s LYS 1019Ca 0.06 1.42 -0.06 0.00 -0.36 0.00 0.00 55.97 57.03 1iy9 s LYS 1019Cb -0.12 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1iy9 s LYS 1019CO 0.02 -0.29 0.06 0.08 -0.36 0.00 0.00 175.35 174.86 1iy9 s VAL 1020N 1.90 4.83 -0.05 4.02 1.01 0.18 -1.51 120.40 130.79 1iy9 s VAL 1020Ca 0.49 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1iy9 s VAL 1020Cb -0.19 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 32.83 1iy9 s VAL 1020CO 0.19 0.54 0.64 0.78 0.00 0.00 0.00 175.10 177.25 1iy9 h ASN 1021N 5.86 0.13 0.00 3.32 2.35 -1.17 -3.41 115.58 122.67 1iy9 h ASN 1021Ca -0.45 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1iy9 h ASN 1021Cb 1.19 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1iy9 h ASN 1021CO 0.63 1.25 0.00 2.29 -1.65 0.00 0.00 177.43 179.95 1iy9 n LYS 1022N -3.20 0.00 -3.61 0.81 2.85 -1.24 -5.04 118.16 108.73 1iy9 n LYS 1022Ca -0.20 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.73 1iy9 n LYS 1022Cb 1.05 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.37 1iy9 n LYS 1022CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1iy9 s THR 1023N -2.00 5.12 -0.26 0.58 -4.23 -1.26 -1.07 115.64 112.52 1iy9 s THR 1023Ca 0.00 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1iy9 s THR 1023Cb 0.00 -3.63 -0.15 0.00 1.34 0.00 0.00 72.50 70.06 1iy9 s THR 1023CO 0.00 0.16 -0.27 0.18 -0.54 0.00 0.00 174.62 174.15 1iy9 n LEU 1024N 0.50 2.63 -3.66 4.79 4.77 0.36 -4.87 117.00 121.52 1iy9 n LEU 1024Ca -0.05 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1iy9 n LEU 1024Cb 0.52 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1iy9 n LEU 1024CO 0.45 0.81 0.27 -2.28 -1.33 0.00 0.00 177.39 175.31 1iy9 s HIS 1025N -2.50 -0.82 -0.10 -1.77 5.04 -0.73 -4.96 115.29 109.45 1iy9 s HIS 1025Ca -0.35 1.76 -0.00 0.00 -1.54 0.00 0.00 55.06 54.93 1iy9 s HIS 1025Cb 0.11 0.40 0.02 0.00 0.04 0.00 0.00 32.58 33.15 1iy9 s HIS 1025CO 0.55 -0.41 -0.07 0.99 -2.34 0.00 0.00 174.74 173.47 1iy9 s THR 1026N 1.08 0.90 -0.22 0.89 2.01 -1.26 0.41 115.64 119.45 1iy9 s THR 1026Ca -0.06 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1iy9 s THR 1026Cb -0.05 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 71.58 1iy9 s THR 1026CO -0.10 0.34 0.59 -0.70 -0.69 0.00 0.00 174.62 174.05 1iy9 s GLU 1027N 1.61 0.69 -0.35 4.92 2.12 -0.26 -5.02 118.70 122.41 1iy9 s GLU 1027Ca 0.02 0.81 -0.15 0.00 0.36 0.00 0.00 54.97 56.01 1iy9 s GLU 1027Cb -0.13 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1iy9 s GLU 1027CO -0.06 -0.08 0.37 -1.14 -0.54 0.00 0.00 175.26 173.81 1iy9 s GLN 1028N 0.31 3.53 0.61 4.30 2.00 -1.26 -0.62 119.66 128.52 1iy9 s GLN 1028Ca -0.00 -0.43 -0.01 0.00 -2.00 0.00 0.00 55.36 52.91 1iy9 s GLN 1028Cb -0.04 -3.82 0.05 0.00 0.80 0.00 0.00 33.01 30.00 1iy9 s GLN 1028CO 0.01 -0.56 0.87 0.99 -0.50 0.00 0.00 175.29 176.10 1iy9 s THR 1029N 2.04 2.50 0.48 -0.34 2.01 0.62 -4.98 115.64 117.97 1iy9 s THR 1029Ca 0.12 -0.54 0.25 0.00 0.31 0.00 0.00 61.69 61.83 1iy9 s THR 1029Cb -0.17 -2.96 0.29 0.00 0.01 0.00 0.00 72.50 69.68 1iy9 s THR 1029CO 0.12 0.00 2.11 -0.33 -0.69 0.00 0.00 174.62 175.83 1iy9 h GLU 1030N -0.19 0.00 0.00 4.92 3.07 -2.00 -3.27 114.58 117.11 1iy9 h GLU 1030Ca -0.42 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.21 1iy9 h GLU 1030Cb 1.30 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.17 1iy9 h GLU 1030CO 0.53 0.09 -1.86 1.19 -1.40 0.00 0.00 179.01 177.57 1iy9 n PHE 1031N -3.86 0.00 -3.83 4.33 3.01 -1.26 -5.11 117.46 110.74 1iy9 n PHE 1031Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1iy9 n PHE 1031Cb 0.19 -0.60 0.01 0.00 -0.01 0.00 0.00 39.48 39.07 1iy9 n PHE 1031CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1iy9 s GLN 1032N -2.30 1.90 -0.42 -1.08 -2.07 -1.24 -5.08 119.66 109.37 1iy9 s GLN 1032Ca -0.13 -1.19 -0.18 0.00 -1.82 0.00 0.00 55.36 52.04 1iy9 s GLN 1032Cb 0.04 0.56 0.02 0.00 -1.09 0.00 0.00 33.01 32.54 1iy9 s GLN 1032CO 0.43 -0.89 0.45 -1.58 -1.32 0.00 0.00 175.29 172.38 1iy9 s HIS 1033N -2.64 3.16 -0.09 9.60 5.65 -1.26 -0.28 115.29 129.43 1iy9 s HIS 1033Ca 0.16 -0.34 -0.18 0.00 0.25 0.00 0.00 55.06 54.95 1iy9 s HIS 1033Cb -0.04 -2.93 -0.05 0.00 -1.18 0.00 0.00 32.58 28.38 1iy9 s HIS 1033CO 0.09 -0.71 0.47 -1.17 -0.65 0.00 0.00 174.74 172.77 1iy9 s LEU 1034N 2.19 4.31 -0.26 8.88 1.98 0.21 -1.21 118.68 134.79 1iy9 s LEU 1034Ca 0.13 0.85 -0.03 0.00 -2.89 0.00 0.00 54.13 52.19 1iy9 s LEU 1034Cb -0.17 -2.68 0.10 0.00 0.66 0.00 0.00 46.19 44.10 1iy9 s LEU 1034CO 0.14 0.06 0.18 -1.61 -1.89 0.00 0.00 176.35 173.24 1iy9 s GLU 1035N 0.30 0.21 -0.08 1.98 2.02 -0.67 -1.10 118.70 121.35 1iy9 s GLU 1035Ca 0.26 -0.22 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 1iy9 s GLU 1035Cb -0.15 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 32.89 1iy9 s GLU 1035CO 0.11 -0.90 0.43 -1.64 0.02 0.00 0.00 175.26 173.28 1iy9 s MET 1036N 2.22 4.20 0.03 1.61 -1.94 0.16 -1.39 119.30 124.19 1iy9 s MET 1036Ca 0.08 0.39 0.01 0.00 -1.71 0.00 0.00 55.69 54.46 1iy9 s MET 1036Cb -0.15 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1iy9 s MET 1036CO -0.27 0.35 -0.05 0.08 -0.01 0.00 0.00 175.02 175.12 1iy9 s VAL 1037N 0.03 0.31 -0.38 -6.03 1.01 -0.25 -0.49 120.40 114.60 1iy9 s VAL 1037Ca 0.24 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1iy9 s VAL 1037Cb -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1iy9 s VAL 1037CO 0.10 -0.50 0.25 -0.70 0.00 0.00 0.00 175.10 174.26 1iy9 s GLU 1038N -1.73 3.11 0.18 2.72 2.12 -0.23 -0.28 118.70 124.59 1iy9 s GLU 1038Ca -0.11 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.30 1iy9 s GLU 1038Cb -0.08 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1iy9 s GLU 1038CO -0.01 -0.63 0.37 0.95 -0.54 0.00 0.00 175.26 175.40 1iy9 s THR 1039N 1.66 5.22 0.14 -1.70 -4.23 -0.14 -0.63 115.64 115.97 1iy9 s THR 1039Ca 0.05 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1iy9 s THR 1039Cb -0.18 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 69.78 1iy9 s THR 1039CO 0.09 -0.12 1.34 -0.08 -0.54 0.00 0.00 174.62 175.31 1iy9 h GLU 1040N 2.18 0.34 0.12 3.99 4.57 -1.54 -2.63 114.58 121.61 1iy9 h GLU 1040Ca -0.48 -0.36 -0.16 0.00 -1.18 0.00 0.00 59.36 57.19 1iy9 h GLU 1040Cb 1.19 0.10 0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1iy9 h GLU 1040CO 0.69 1.04 -0.69 1.49 -1.18 0.00 0.00 179.01 180.36 1iy9 h GLU 1041N 0.19 0.26 -0.22 1.92 4.57 -1.95 -3.39 114.58 115.96 1iy9 h GLU 1041Ca -0.06 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1iy9 h GLU 1041Cb 1.53 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1iy9 h GLU 1041CO 0.15 1.20 0.00 1.19 -1.18 0.00 0.00 179.01 180.37 1iy9 n PHE 1042N -4.20 0.29 -4.02 0.92 3.01 -1.26 -4.93 117.46 107.28 1iy9 n PHE 1042Ca -0.13 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1iy9 n PHE 1042Cb 0.77 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1iy9 n PHE 1042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iy9 n GLY 1043N 0.57 -1.14 3.76 1.37 0.00 -0.99 -1.21 105.19 107.55 1iy9 n GLY 1043Ca 0.10 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1iy9 n GLY 1043CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iy9 s ASN 1044N -4.00 6.70 -0.01 1.61 0.01 -1.26 -0.97 114.94 117.02 1iy9 s ASN 1044Ca 0.00 2.71 0.02 0.00 -0.71 0.00 0.00 52.86 54.88 1iy9 s ASN 1044Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1iy9 s ASN 1044CO 0.00 -0.61 -0.05 -0.32 -1.51 0.00 0.00 177.10 174.61 1iy9 s MET 1045N -1.43 0.55 -0.17 -0.60 1.75 0.62 -1.42 119.30 118.59 1iy9 s MET 1045Ca 0.52 -0.17 -0.06 0.00 -1.25 0.00 0.00 55.69 54.73 1iy9 s MET 1045Cb -0.41 -0.55 -0.03 0.00 2.84 0.00 0.00 34.83 36.68 1iy9 s MET 1045CO 0.51 0.07 0.01 -1.17 -0.65 0.00 0.00 175.02 173.79 1iy9 s LEU 1046N 0.16 3.51 -0.05 4.11 2.96 -0.41 -1.10 118.68 127.87 1iy9 s LEU 1046Ca -0.02 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1iy9 s LEU 1046Cb -0.06 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1iy9 s LEU 1046CO -0.00 0.16 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.62 1iy9 s PHE 1047N 0.45 2.54 -0.13 5.38 0.40 -0.49 -0.16 117.98 125.98 1iy9 s PHE 1047Ca -0.00 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1iy9 s PHE 1047Cb -0.13 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1iy9 s PHE 1047CO 0.02 -0.03 -0.13 -0.51 0.70 0.00 0.00 175.22 175.27 1iy9 s LEU 1048N -0.43 1.58 -1.43 -0.37 1.43 -0.26 -1.67 118.68 117.54 1iy9 s LEU 1048Ca 0.04 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1iy9 s LEU 1048Cb -0.12 -1.09 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1iy9 s LEU 1048CO 0.02 -0.06 0.93 0.47 0.23 0.00 0.00 176.35 177.94 1iy9 n ASP 1049N 4.72 -3.86 0.00 2.29 8.00 -0.35 -1.72 116.55 125.63 1iy9 n ASP 1049Ca -0.16 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1iy9 n ASP 1049Cb 0.50 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 1iy9 n ASP 1049CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iy9 n GLY 1050N -1.68 0.57 3.51 0.44 0.00 -1.26 -5.00 105.19 101.76 1iy9 n GLY 1050Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1iy9 n GLY 1050CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iy9 s MET 1051N -0.43 2.61 0.17 1.61 -1.94 -0.70 -4.77 119.30 115.85 1iy9 s MET 1051Ca 0.00 -0.65 -0.32 0.00 -1.71 0.00 0.00 55.69 53.02 1iy9 s MET 1051Cb 0.00 -2.45 -0.11 0.00 2.01 0.00 0.00 34.83 34.28 1iy9 s MET 1051CO 0.00 0.62 1.66 0.08 -0.01 0.00 0.00 175.02 177.37 1iy9 s VAL 1052N -0.71 2.44 -0.16 -6.03 1.01 -1.26 -1.10 120.40 114.58 1iy9 s VAL 1052Ca 0.11 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1iy9 s VAL 1052Cb -0.11 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1iy9 s VAL 1052CO 0.01 0.02 -0.32 0.80 0.00 0.00 0.00 175.10 175.61 1iy9 n MET 1053N 4.35 0.48 -3.96 2.72 0.00 0.78 -4.89 117.12 116.59 1iy9 n MET 1053Ca 0.15 0.19 -0.10 0.00 0.00 0.00 0.00 57.70 57.95 1iy9 n MET 1053Cb 0.37 -1.34 -0.03 0.00 0.00 0.00 0.00 33.22 32.22 1iy9 n MET 1053CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iy9 s THR 1054N -2.75 0.00 0.07 1.12 -4.23 -1.21 -5.01 115.64 103.63 1iy9 s THR 1054Ca -0.26 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1iy9 s THR 1054Cb 0.04 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.52 1iy9 s THR 1054CO 0.39 0.00 0.26 -0.94 -0.54 0.00 0.00 174.62 173.79 1iy9 s SER 1055N -3.05 -0.03 0.25 3.99 1.04 -1.26 -1.28 113.70 113.36 1iy9 s SER 1055Ca 0.21 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1iy9 s SER 1055Cb -0.02 0.36 0.27 0.00 0.10 0.00 0.00 66.02 66.72 1iy9 s SER 1055CO 0.11 -0.69 1.86 -0.33 0.98 0.00 0.00 173.24 175.18 1iy9 h GLU 1056N 2.95 1.17 -0.49 4.02 5.08 -1.06 -2.24 114.58 124.01 1iy9 h GLU 1056Ca -0.33 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 1iy9 h GLU 1056Cb 1.21 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1iy9 h GLU 1056CO 0.50 0.87 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.97 1iy9 h LYS 1057N 1.17 0.98 -0.01 2.33 3.64 -1.45 -3.36 116.57 119.87 1iy9 h LYS 1057Ca 0.29 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1iy9 h LYS 1057Cb 0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1iy9 h LYS 1057CO -0.04 1.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.82 1iy9 n ASP 1058N -4.12 2.05 0.13 4.20 5.75 -1.21 -4.73 116.55 118.63 1iy9 n ASP 1058Ca 0.00 -2.09 0.15 0.00 -0.01 0.00 0.00 54.79 52.85 1iy9 n ASP 1058Cb 0.44 -0.04 0.70 0.00 -1.03 0.00 0.00 41.12 41.20 1iy9 n ASP 1058CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1iy9 h GLU 1059N 0.05 0.00 -0.09 0.11 -0.00 -1.56 -3.00 114.58 110.09 1iy9 h GLU 1059Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1iy9 h GLU 1059Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.29 1iy9 h GLU 1059CO 0.00 0.00 0.07 0.27 -0.00 0.00 0.00 179.01 179.35 1iy9 h PHE 1060N 0.00 0.03 0.83 2.06 -5.15 -1.86 -2.84 116.94 110.01 1iy9 h PHE 1060Ca 0.13 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.86 1iy9 h PHE 1060Cb 0.55 -0.01 0.01 0.00 0.22 0.00 0.00 35.95 36.71 1iy9 h PHE 1060CO 0.00 0.02 -0.40 0.28 -2.00 0.00 0.00 178.31 176.21 1iy9 h VAL 1061N 0.03 0.00 -0.16 0.88 2.07 -1.88 -0.94 116.25 116.25 1iy9 h VAL 1061Ca 0.04 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1iy9 h VAL 1061Cb 0.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1iy9 h VAL 1061CO -0.00 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.74 1iy9 h TYR 1062N -1.22 -0.15 -0.53 1.57 3.20 -1.77 -1.28 116.97 116.80 1iy9 h TYR 1062Ca -0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1iy9 h TYR 1062Cb 0.86 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 1iy9 h TYR 1062CO 0.02 -0.11 0.34 0.45 -1.64 0.00 0.00 178.16 177.22 1iy9 h HIS 1063N -0.04 0.64 -0.26 -3.82 3.86 -1.53 -1.35 115.15 112.65 1iy9 h HIS 1063Ca 0.09 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 1iy9 h HIS 1063Cb 0.17 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1iy9 h HIS 1063CO -0.21 0.39 -0.24 0.93 0.86 0.00 0.00 177.93 179.66 1iy9 h GLU 1064N 0.69 0.61 0.00 2.45 5.08 -0.95 -2.73 114.58 119.73 1iy9 h GLU 1064Ca 0.20 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1iy9 h GLU 1064Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1iy9 h GLU 1064CO -0.06 0.92 -0.62 0.52 -1.00 0.00 0.00 179.01 178.77 1iy9 h MET 1065N 0.33 0.00 -0.08 2.33 2.86 -1.14 -0.46 114.93 118.77 1iy9 h MET 1065Ca 0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1iy9 h MET 1065Cb 0.80 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1iy9 h MET 1065CO 0.06 0.62 -0.75 0.28 1.06 0.00 0.00 176.91 178.18 1iy9 h VAL 1066N 0.00 1.36 0.00 -2.22 2.07 -1.30 -3.30 116.25 112.87 1iy9 h VAL 1066Ca -0.01 -2.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1iy9 h VAL 1066Cb 1.11 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1iy9 h VAL 1066CO 0.08 0.65 -0.25 0.00 0.02 0.00 0.00 177.57 178.07 1iy9 h ALA 1067N 0.86 0.01 -0.02 1.67 0.00 -1.38 -3.40 119.26 117.00 1iy9 h ALA 1067Ca -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1iy9 h ALA 1067Cb 1.34 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1iy9 h ALA 1067CO 0.13 0.24 -0.24 0.45 0.00 0.00 0.00 179.25 179.83 1iy9 h HIS 1068N -1.00 0.03 0.05 0.00 -0.00 -1.27 -2.40 115.15 110.57 1iy9 h HIS 1068Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1iy9 h HIS 1068Cb 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1iy9 h HIS 1068CO -0.09 0.27 -0.03 0.28 -0.00 0.00 0.00 177.93 178.37 1iy9 h VAL 1069N 0.03 1.12 -0.10 2.45 2.07 -1.74 -2.17 116.25 117.91 1iy9 h VAL 1069Ca 0.00 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.80 1iy9 h VAL 1069Cb 0.45 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1iy9 h VAL 1069CO 0.03 0.14 -0.59 1.55 0.02 0.00 0.00 177.57 178.72 1iy9 h PRO 1070N -0.33 0.34 -0.33 1.57 0.13 -1.76 -2.17 132.00 129.45 1iy9 h PRO 1070Ca -0.01 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1iy9 h PRO 1070Cb 0.29 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1iy9 h PRO 1070CO 0.01 0.83 0.10 -0.07 -0.23 0.00 0.00 178.00 178.64 1iy9 h LEU 1071N 0.25 0.48 -0.89 1.56 3.38 -1.47 -1.80 115.31 116.84 1iy9 h LEU 1071Ca -0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1iy9 h LEU 1071Cb 1.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1iy9 h LEU 1071CO 0.10 0.57 -0.32 -0.26 0.09 0.00 0.00 178.44 178.62 1iy9 h PHE 1072N 0.37 0.00 -0.25 1.13 -1.00 -1.42 -2.75 116.94 113.04 1iy9 h PHE 1072Ca 0.11 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.79 1iy9 h PHE 1072Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1iy9 h PHE 1072CO 0.01 0.32 -0.25 1.15 -1.61 0.00 0.00 178.31 177.92 1iy9 h THR 1073N 0.00 1.26 -3.39 -1.55 2.02 -1.15 -3.42 112.91 106.69 1iy9 h THR 1073Ca -0.00 -1.27 -0.54 0.00 0.77 0.00 0.00 66.41 65.37 1iy9 h THR 1073Cb 0.89 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1iy9 h THR 1073CO 0.04 0.40 0.35 -2.28 0.37 0.00 0.00 175.52 174.41 1iy9 s HIS 1074N -4.49 3.64 0.56 3.16 5.65 -0.70 -4.76 115.29 118.35 1iy9 s HIS 1074Ca -0.07 1.64 0.26 0.00 0.25 0.00 0.00 55.06 57.14 1iy9 s HIS 1074Cb 0.14 -3.09 1.68 0.00 -1.18 0.00 0.00 32.58 30.13 1iy9 s HIS 1074CO 0.79 -0.02 2.22 -1.00 -0.65 0.00 0.00 174.74 176.08 1iy9 h PRO 1075N 6.82 0.00 -0.69 2.88 0.13 -1.82 -3.38 132.00 135.94 1iy9 h PRO 1075Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1iy9 h PRO 1075Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1iy9 h PRO 1075CO 0.76 0.01 -0.34 1.21 -0.23 0.00 0.00 178.00 179.41 1iy9 s ASN 1076N -6.36 -1.02 0.06 1.44 3.04 -1.26 -5.12 114.94 105.72 1iy9 s ASN 1076Ca -0.05 -1.01 -0.30 0.00 0.04 0.00 0.00 52.86 51.53 1iy9 s ASN 1076Cb 0.15 1.32 -0.05 0.00 -1.54 0.00 0.00 41.25 41.13 1iy9 s ASN 1076CO 0.58 -0.06 1.16 -2.84 -3.04 0.00 0.00 177.10 172.90 1iy9 s PRO 1077N 1.19 4.46 0.00 0.43 0.02 -1.26 -4.92 135.00 134.92 1iy9 s PRO 1077Ca 0.24 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1iy9 s PRO 1077Cb 0.03 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1iy9 s PRO 1077CO -0.08 -0.21 0.00 0.39 -0.33 0.00 0.00 177.00 176.77 1iy9 n GLU 1078N 3.84 1.93 -3.97 5.54 1.02 -1.26 -2.84 120.64 124.90 1iy9 n GLU 1078Ca 0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1iy9 n GLU 1078Cb 0.47 -0.86 -0.16 0.00 -0.02 0.00 0.00 31.44 30.87 1iy9 n GLU 1078CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iy9 s HIS 1079N -1.72 2.41 0.01 -0.32 3.76 -1.26 -0.33 115.29 117.83 1iy9 s HIS 1079Ca 0.00 -1.66 0.08 0.00 -0.15 0.00 0.00 55.06 53.33 1iy9 s HIS 1079Cb 0.00 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 1iy9 s HIS 1079CO 0.00 -0.75 -0.24 0.08 -0.85 0.00 0.00 174.74 172.98 1iy9 s VAL 1080N 1.40 1.90 -0.07 -0.90 1.01 -0.93 -0.28 120.40 122.52 1iy9 s VAL 1080Ca -0.03 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.86 1iy9 s VAL 1080Cb -0.17 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1iy9 s VAL 1080CO -0.07 0.44 -0.21 -0.22 0.00 0.00 0.00 175.10 175.03 1iy9 s LEU 1081N -0.82 1.99 -0.20 3.92 2.96 -0.48 -0.64 118.68 125.41 1iy9 s LEU 1081Ca 0.10 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1iy9 s LEU 1081Cb -0.09 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.37 1iy9 s LEU 1081CO 0.00 0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.36 1iy9 s VAL 1082N 0.19 2.49 -0.26 1.68 1.01 0.05 -0.40 120.40 125.15 1iy9 s VAL 1082Ca -0.12 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1iy9 s VAL 1082Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1iy9 s VAL 1082CO 0.06 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 175.01 1iy9 s VAL 1083N 1.34 4.31 0.00 2.92 1.01 -0.33 -1.32 120.40 128.33 1iy9 s VAL 1083Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1iy9 s VAL 1083Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1iy9 s VAL 1083CO -0.09 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1iy9 n GLY 1084N 4.93 0.53 2.88 4.51 0.00 0.32 -1.98 105.19 116.37 1iy9 n GLY 1084Ca -0.16 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1iy9 n GLY 1084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iy9 n GLY 1085N -2.20 5.59 0.32 -0.02 0.00 -1.26 -4.80 105.19 102.82 1iy9 n GLY 1085Ca 0.00 -2.50 0.18 0.00 0.00 0.00 0.00 46.02 43.69 1iy9 n GLY 1085CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 1086N 3.06 1.62 2.00 -0.02 0.00 -1.94 0.24 103.07 108.04 1iy9 h GLY 1086Ca 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1iy9 h GLY 1086CO 1.39 -0.45 0.00 2.09 0.00 0.00 0.00 176.54 179.58 1iy9 n ASP 1087N -5.20 0.32 0.00 0.19 5.68 -1.26 -4.02 116.55 112.26 1iy9 n ASP 1087Ca 0.26 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 55.15 1iy9 n ASP 1087Cb 0.82 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1iy9 n ASP 1087CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iy9 n GLY 1088N -0.51 0.37 0.29 6.12 0.00 0.83 -2.70 105.19 109.60 1iy9 n GLY 1088Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1iy9 n GLY 1088CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 1089N 0.00 1.05 1.36 -0.02 0.00 -1.77 -1.00 103.07 102.68 1iy9 h GLY 1089Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 47.33 46.35 1iy9 h GLY 1089CO 0.00 0.77 -0.37 -2.08 0.00 0.00 0.00 176.54 174.87 1iy9 h VAL 1090N 0.86 1.29 -0.25 4.60 2.07 -1.88 -2.91 116.25 120.02 1iy9 h VAL 1090Ca 0.13 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1iy9 h VAL 1090Cb 0.68 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1iy9 h VAL 1090CO 0.05 0.49 0.14 0.40 0.02 0.00 0.00 177.57 178.67 1iy9 h ILE 1091N 0.59 1.12 -0.99 4.57 1.08 -1.85 0.10 117.51 122.13 1iy9 h ILE 1091Ca 0.06 -0.32 0.19 0.00 -0.39 0.00 0.00 64.86 64.40 1iy9 h ILE 1091Cb 0.90 0.88 -0.10 0.00 -3.07 0.00 0.00 36.82 35.42 1iy9 h ILE 1091CO 0.08 0.12 0.61 -0.09 -0.69 0.00 0.00 178.15 178.18 1iy9 h ARG 1092N 0.29 0.71 0.05 2.37 1.12 -1.07 -1.34 114.38 116.50 1iy9 h ARG 1092Ca 0.09 -0.04 -0.25 0.00 -1.11 0.00 0.00 59.98 58.66 1iy9 h ARG 1092Cb 0.07 -0.16 0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1iy9 h ARG 1092CO -0.01 0.47 -1.07 0.93 -3.11 0.00 0.00 179.97 177.17 1iy9 h GLU 1093N 0.73 0.45 -0.89 0.20 4.39 -1.19 -3.25 114.58 115.01 1iy9 h GLU 1093Ca 0.56 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1iy9 h GLU 1093Cb 0.92 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1iy9 h GLU 1093CO -0.35 1.20 0.55 0.82 -1.16 0.00 0.00 179.01 180.07 1iy9 h ILE 1094N 0.22 1.24 0.00 3.13 2.04 0.06 -2.44 117.51 121.76 1iy9 h ILE 1094Ca -0.12 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1iy9 h ILE 1094Cb 1.73 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1iy9 h ILE 1094CO 0.19 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.77 1iy9 n LEU 1095N -4.41 0.10 0.00 1.44 4.77 -0.67 -1.45 117.00 116.78 1iy9 n LEU 1095Ca 0.10 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1iy9 n LEU 1095Cb 0.05 -0.54 0.61 0.00 -2.33 0.00 0.00 43.42 41.22 1iy9 n LEU 1095CO 0.37 -0.46 0.93 0.29 -1.33 0.00 0.00 177.39 177.19 1iy9 n LYS 1096N -1.62 0.22 -3.50 3.23 5.02 -0.92 -4.59 118.16 116.00 1iy9 n LYS 1096Ca 0.01 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1iy9 n LYS 1096Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 1iy9 n LYS 1096CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1iy9 s HIS 1097N -2.75 3.24 0.42 2.13 3.76 -0.53 -4.97 115.29 116.60 1iy9 s HIS 1097Ca 0.20 -0.70 0.10 0.00 -0.15 0.00 0.00 55.06 54.51 1iy9 s HIS 1097Cb 0.17 -2.54 0.94 0.00 1.11 0.00 0.00 32.58 32.26 1iy9 s HIS 1097CO 0.43 -0.60 2.03 -1.35 -0.85 0.00 0.00 174.74 174.39 1iy9 h PRO 1098N 8.57 0.47 0.00 8.40 0.11 -1.87 -2.32 132.00 145.36 1iy9 h PRO 1098Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1iy9 h PRO 1098Cb 1.12 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1iy9 h PRO 1098CO 0.71 0.31 -0.01 0.66 -0.21 0.00 0.00 178.00 179.46 1iy9 h SER 1099N 0.48 0.00 -3.02 -2.05 4.64 -1.94 -3.41 113.55 108.25 1iy9 h SER 1099Ca 0.20 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.96 1iy9 h SER 1099Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1iy9 h SER 1099CO -0.05 0.01 1.04 -0.69 -0.87 0.00 0.00 176.83 176.27 1iy9 s VAL 1100N -4.29 3.96 -0.03 0.95 1.01 -0.87 -4.11 120.40 117.02 1iy9 s VAL 1100Ca -0.04 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.81 1iy9 s VAL 1100Cb 0.13 -4.00 -0.33 0.00 0.00 0.00 0.00 36.38 32.19 1iy9 s VAL 1100CO 0.48 -0.44 0.92 0.11 0.00 0.00 0.00 175.10 176.17 1iy9 h LYS 1101N 9.96 0.37 -2.75 2.72 1.79 -0.93 -3.47 116.57 124.27 1iy9 h LYS 1101Ca -0.29 -0.64 -0.13 0.00 -2.18 0.00 0.00 60.65 57.41 1iy9 h LYS 1101Cb 1.12 0.24 -0.26 0.00 -1.58 0.00 0.00 32.23 31.74 1iy9 h LYS 1101CO 1.03 1.31 -0.31 0.21 -1.08 0.00 0.00 179.45 180.60 1iy9 s LYS 1102N -2.48 0.39 -0.24 3.15 2.20 -0.95 -4.78 119.74 117.03 1iy9 s LYS 1102Ca -0.12 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1iy9 s LYS 1102Cb 0.02 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1iy9 s LYS 1102CO 0.87 -0.13 -0.11 0.00 -0.36 0.00 0.00 175.35 175.62 1iy9 s ALA 1103N 1.00 2.57 -0.07 3.13 0.00 -0.16 -2.19 121.76 126.04 1iy9 s ALA 1103Ca -0.07 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 1iy9 s ALA 1103Cb -0.07 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1iy9 s ALA 1103CO -0.08 -0.83 0.39 0.99 0.00 0.00 0.00 175.76 176.23 1iy9 s THR 1104N 1.25 5.15 -0.15 0.00 2.01 0.19 -1.38 115.64 122.71 1iy9 s THR 1104Ca -0.02 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.79 1iy9 s THR 1104Cb -0.17 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1iy9 s THR 1104CO -0.07 0.47 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.90 1iy9 s LEU 1105N -0.29 2.13 -0.14 4.42 2.96 -0.34 -0.77 118.68 126.65 1iy9 s LEU 1105Ca 0.22 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1iy9 s LEU 1105Cb -0.15 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1iy9 s LEU 1105CO 0.10 0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 1iy9 s VAL 1106N 0.92 1.70 -0.05 1.68 1.01 -0.43 -0.04 120.40 125.19 1iy9 s VAL 1106Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1iy9 s VAL 1106Cb -0.15 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1iy9 s VAL 1106CO -0.04 0.48 0.11 -0.62 0.00 0.00 0.00 175.10 175.03 1iy9 s ASP 1107N 1.23 -0.07 0.34 3.32 -1.08 -0.83 -0.52 116.67 119.06 1iy9 s ASP 1107Ca 0.00 0.22 0.07 0.00 -0.52 0.00 0.00 52.55 52.32 1iy9 s ASP 1107Cb -0.14 0.14 0.63 0.00 -1.46 0.00 0.00 42.92 42.09 1iy9 s ASP 1107CO -0.08 -0.11 1.83 0.16 0.52 0.00 0.00 175.17 177.49 1iy9 h ILE 1108N 5.79 1.23 -3.26 4.11 3.07 -1.65 -2.23 117.51 124.56 1iy9 h ILE 1108Ca -0.38 -1.05 -0.72 0.00 1.55 0.00 0.00 64.86 64.26 1iy9 h ILE 1108Cb 1.15 1.34 -0.21 0.00 -0.27 0.00 0.00 36.82 38.84 1iy9 h ILE 1108CO 0.44 0.32 -0.15 -0.62 -1.05 0.00 0.00 178.15 177.09 1iy9 s ASP 1109N -6.86 6.18 0.50 2.16 -1.08 -1.26 -4.63 116.67 111.69 1iy9 s ASP 1109Ca -0.05 -1.17 0.29 0.00 -0.52 0.00 0.00 52.55 51.09 1iy9 s ASP 1109Cb 0.15 -2.23 1.21 0.00 -1.46 0.00 0.00 42.92 40.58 1iy9 s ASP 1109CO 0.75 -0.77 1.94 1.23 0.52 0.00 0.00 175.17 178.83 1iy9 h GLY 1110N 9.20 0.00 2.00 2.66 0.00 -1.96 -2.64 103.07 112.34 1iy9 h GLY 1110Ca -0.28 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1iy9 h GLY 1110CO 0.93 0.00 -0.14 0.50 0.00 0.00 0.00 176.54 177.82 1iy9 h LYS 1111N 0.00 0.00 -0.17 4.80 1.57 -1.98 -0.53 116.57 120.26 1iy9 h LYS 1111Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1iy9 h LYS 1111Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1iy9 h LYS 1111CO 0.01 0.14 -0.36 0.28 -0.57 0.00 0.00 179.45 178.96 1iy9 h VAL 1112N 0.00 1.34 -0.40 0.50 2.07 -1.84 -1.38 116.25 116.55 1iy9 h VAL 1112Ca -0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1iy9 h VAL 1112Cb 0.72 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1iy9 h VAL 1112CO 0.02 0.49 0.18 0.40 0.02 0.00 0.00 177.57 178.68 1iy9 h ILE 1113N 0.20 1.18 0.23 4.57 2.04 -1.53 -0.70 117.51 123.50 1iy9 h ILE 1113Ca 0.00 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1iy9 h ILE 1113Cb 0.95 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1iy9 h ILE 1113CO 0.08 0.19 -0.19 -0.08 0.00 0.00 0.00 178.15 178.16 1iy9 h GLU 1114N 0.50 -0.41 0.00 2.37 4.81 -1.02 -1.26 114.58 119.56 1iy9 h GLU 1114Ca 0.14 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1iy9 h GLU 1114Cb 0.13 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1iy9 h GLU 1114CO -0.02 -0.28 0.00 1.88 -0.73 0.00 0.00 179.01 179.87 1iy9 h TYR 1115N -0.43 0.00 0.11 0.92 -1.99 -1.21 -2.39 116.97 111.97 1iy9 h TYR 1115Ca -0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.44 1iy9 h TYR 1115Cb 0.38 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.13 1iy9 h TYR 1115CO -0.12 0.00 -1.20 0.77 -0.00 0.00 0.00 178.16 177.61 1iy9 h SER 1116N 0.00 0.66 -0.64 3.88 0.02 -0.86 -0.27 113.55 116.35 1iy9 h SER 1116Ca 0.00 -0.63 -0.06 0.00 -0.84 0.00 0.00 61.79 60.26 1iy9 h SER 1116Cb 0.66 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1iy9 h SER 1116CO 0.00 1.46 0.16 0.11 -1.14 0.00 0.00 176.83 177.41 1iy9 h LYS 1117N 0.20 1.04 0.02 3.45 1.57 -1.07 0.26 116.57 122.04 1iy9 h LYS 1117Ca -0.15 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.17 1iy9 h LYS 1117Cb 1.88 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 34.06 1iy9 h LYS 1117CO 0.21 0.92 -0.85 -0.22 -0.57 0.00 0.00 179.45 178.95 1iy9 h LYS 1118N 0.99 0.54 0.00 3.15 3.64 -1.40 -3.34 116.57 120.15 1iy9 h LYS 1118Ca 0.21 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1iy9 h LYS 1118Cb 0.35 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1iy9 h LYS 1118CO 0.00 1.23 -0.80 1.19 -2.27 0.00 0.00 179.45 178.80 1iy9 n PHE 1119N -4.03 0.00 -2.79 1.91 3.01 -0.12 -4.61 117.46 110.83 1iy9 n PHE 1119Ca -0.11 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.12 1iy9 n PHE 1119Cb 0.79 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 40.18 1iy9 n PHE 1119CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1iy9 n LEU 1120N -1.44 3.44 -0.12 4.37 4.77 0.90 -4.87 117.00 124.05 1iy9 n LEU 1120Ca 0.01 -5.10 0.10 0.00 -0.03 0.00 0.00 56.01 51.00 1iy9 n LEU 1120Cb 0.22 -0.15 0.45 0.00 -2.33 0.00 0.00 43.42 41.61 1iy9 n LEU 1120CO 0.24 2.18 1.20 1.55 -1.33 0.00 0.00 177.39 181.23 1iy9 h PRO 1121N 2.86 0.51 0.00 3.23 0.13 -1.67 0.14 132.00 137.20 1iy9 h PRO 1121Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1iy9 h PRO 1121Cb 0.83 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1iy9 h PRO 1121CO 0.72 0.34 0.00 -1.13 -0.23 0.00 0.00 178.00 177.70 1iy9 n SER 1122N -4.48 0.00 -0.05 1.44 3.41 -1.26 -0.46 113.62 112.22 1iy9 n SER 1122Ca 0.11 0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 1iy9 n SER 1122Cb 0.34 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1iy9 n SER 1122CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iy9 n ILE 1123N -1.43 0.53 1.21 -1.33 5.41 -0.01 -4.75 119.36 118.99 1iy9 n ILE 1123Ca 0.05 -0.18 0.13 0.00 1.00 0.00 0.00 62.75 63.75 1iy9 n ILE 1123Cb 0.16 -1.12 0.28 0.00 -0.71 0.00 0.00 39.64 38.25 1iy9 n ILE 1123CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iy9 n ALA 1124N -3.01 2.85 0.05 -1.39 0.00 0.30 -3.41 120.51 115.90 1iy9 n ALA 1124Ca -0.17 -0.54 0.03 0.00 0.00 0.00 0.00 53.44 52.75 1iy9 n ALA 1124Cb 0.66 -0.99 0.14 0.00 0.00 0.00 0.00 19.45 19.26 1iy9 n ALA 1124CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iy9 n GLY 1125N 1.31 -0.60 0.63 0.00 0.00 0.39 -2.35 105.19 104.57 1iy9 n GLY 1125Ca 0.14 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1iy9 n GLY 1125CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iy9 n LYS 1126N -1.67 1.60 0.18 1.61 4.76 -1.26 -4.38 118.16 119.01 1iy9 n LYS 1126Ca -0.00 -1.29 0.13 0.00 -2.87 0.00 0.00 58.31 54.28 1iy9 n LYS 1126Cb 0.01 -1.44 0.64 0.00 -1.84 0.00 0.00 35.03 32.40 1iy9 n LYS 1126CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1iy9 h LEU 1127N 3.11 0.00 -0.80 -0.35 3.38 -1.80 -1.63 115.31 117.22 1iy9 h LEU 1127Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iy9 h LEU 1127Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1iy9 h LEU 1127CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 1iy9 n ASP 1128N -2.42 1.23 -4.76 -0.43 5.68 -1.26 -4.81 116.55 109.78 1iy9 n ASP 1128Ca -0.00 -1.46 -0.41 0.00 -0.50 0.00 0.00 54.79 52.42 1iy9 n ASP 1128Cb 0.13 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1iy9 n ASP 1128CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iy9 s ASP 1129N -1.89 7.00 0.54 -1.12 -1.08 -0.61 -4.95 116.67 114.57 1iy9 s ASP 1129Ca 0.38 2.48 0.24 0.00 -0.52 0.00 0.00 52.55 55.13 1iy9 s ASP 1129Cb 0.20 -2.64 1.44 0.00 -1.46 0.00 0.00 42.92 40.46 1iy9 s ASP 1129CO 0.32 -0.36 2.06 1.55 0.52 0.00 0.00 175.17 179.25 1iy9 h PRO 1130N 3.74 0.00 0.00 4.34 0.13 -1.91 -0.16 132.00 138.13 1iy9 h PRO 1130Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iy9 h PRO 1130Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iy9 h PRO 1130CO 0.67 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.98 1iy9 n ARG 1131N -4.26 0.05 -3.92 0.86 1.74 -1.26 -4.82 116.66 105.05 1iy9 n ARG 1131Ca 0.05 0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 1iy9 n ARG 1131Cb 0.41 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1iy9 n ARG 1131CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iy9 s VAL 1132N -2.94 5.41 -0.35 1.55 1.01 -0.07 -0.99 120.40 124.01 1iy9 s VAL 1132Ca 0.15 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1iy9 s VAL 1132Cb 0.18 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1iy9 s VAL 1132CO 0.50 0.61 0.10 -0.62 0.00 0.00 0.00 175.10 175.69 1iy9 s ASP 1133N -1.04 4.41 -0.13 3.32 2.15 -0.48 -4.84 116.67 120.07 1iy9 s ASP 1133Ca 0.15 -2.09 -0.23 0.00 0.43 0.00 0.00 52.55 50.81 1iy9 s ASP 1133Cb -0.12 -1.34 -0.03 0.00 -0.30 0.00 0.00 42.92 41.13 1iy9 s ASP 1133CO 0.04 -0.37 0.72 -0.69 -0.17 0.00 0.00 175.17 174.70 1iy9 s VAL 1134N 1.00 4.99 -0.10 1.11 1.01 -1.26 -1.20 120.40 125.96 1iy9 s VAL 1134Ca 0.12 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1iy9 s VAL 1134Cb -0.19 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1iy9 s VAL 1134CO -0.12 0.15 -0.11 -1.10 0.00 0.00 0.00 175.10 173.91 1iy9 s GLN 1135N 1.50 1.73 -0.75 2.72 -0.21 0.94 -4.96 119.66 120.62 1iy9 s GLN 1135Ca 0.35 -0.37 -0.19 0.00 0.02 0.00 0.00 55.36 55.17 1iy9 s GLN 1135Cb -0.17 -1.58 0.11 0.00 1.00 0.00 0.00 33.01 32.37 1iy9 s GLN 1135CO 0.14 -0.12 0.94 0.08 -2.12 0.00 0.00 175.29 174.21 1iy9 s VAL 1136N 1.19 4.72 0.28 1.09 1.01 -1.26 -1.97 120.40 125.45 1iy9 s VAL 1136Ca -0.04 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.59 1iy9 s VAL 1136Cb -0.14 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.61 1iy9 s VAL 1136CO -0.03 -1.35 0.66 -0.62 0.00 0.00 0.00 175.10 173.77 1iy9 s ASP 1137N 3.53 -0.17 0.00 3.32 2.15 -0.84 -4.91 116.67 119.74 1iy9 s ASP 1137Ca 0.23 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1iy9 s ASP 1137Cb -0.14 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1iy9 s ASP 1137CO 0.00 -1.33 0.80 -0.67 -0.17 0.00 0.00 175.17 173.80 1iy9 n ASP 1138N -0.54 0.00 0.00 -0.34 -0.08 -1.26 -2.47 116.55 111.86 1iy9 n ASP 1138Ca -0.04 0.80 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1iy9 n ASP 1138Cb 0.60 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1iy9 n ASP 1138CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iy9 n GLY 1139N -0.99 3.09 0.22 0.27 0.00 -1.26 -4.22 105.19 102.30 1iy9 n GLY 1139Ca 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1iy9 n GLY 1139CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iy9 h PHE 1140N 0.00 1.07 -0.75 1.61 -1.00 -1.92 -1.22 116.94 114.74 1iy9 h PHE 1140Ca 0.00 -0.51 -0.05 0.00 2.81 0.00 0.00 57.97 60.22 1iy9 h PHE 1140Cb 0.00 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 1iy9 h PHE 1140CO 0.00 1.35 0.26 0.52 -1.61 0.00 0.00 178.31 178.82 1iy9 h MET 1141N 0.50 1.15 -0.67 1.51 2.86 -1.84 0.05 114.93 118.49 1iy9 h MET 1141Ca -0.08 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1iy9 h MET 1141Cb 1.51 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 1iy9 h MET 1141CO 0.18 0.96 0.29 1.25 1.06 0.00 0.00 176.91 180.65 1iy9 h HIS 1142N 1.11 1.00 -0.36 -0.22 6.17 -1.87 -1.42 115.15 119.56 1iy9 h HIS 1142Ca 0.25 -0.07 -0.16 0.00 0.71 0.00 0.00 60.37 61.10 1iy9 h HIS 1142Cb 0.28 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.90 1iy9 h HIS 1142CO 0.02 0.77 -0.41 0.82 0.71 0.00 0.00 177.93 179.84 1iy9 h ILE 1143N 0.94 1.27 -0.55 6.26 2.04 -0.89 -2.89 117.51 123.69 1iy9 h ILE 1143Ca 0.23 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1iy9 h ILE 1143Cb 0.17 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1iy9 h ILE 1143CO -0.02 0.53 0.37 0.00 0.00 0.00 0.00 178.15 179.02 1iy9 h ALA 1144N 0.79 1.75 -0.50 1.87 0.00 -0.64 -2.18 119.26 120.35 1iy9 h ALA 1144Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iy9 h ALA 1144Cb 1.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1iy9 h ALA 1144CO 0.10 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.16 1iy9 n LYS 1145N -4.47 3.27 -4.24 0.00 5.02 -0.56 -4.91 118.16 112.26 1iy9 n LYS 1145Ca 0.07 -2.27 -0.32 0.00 -2.02 0.00 0.00 58.31 53.77 1iy9 n LYS 1145Cb 0.16 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 1iy9 n LYS 1145CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iy9 s SER 1146N -0.78 5.06 -0.04 4.39 0.01 -0.82 -5.04 113.70 116.48 1iy9 s SER 1146Ca 0.40 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.58 1iy9 s SER 1146Cb 0.27 -1.27 0.03 0.00 0.21 0.00 0.00 66.02 65.25 1iy9 s SER 1146CO 0.18 0.24 0.04 -0.70 0.41 0.00 0.00 173.24 173.42 1iy9 s GLU 1147N -1.81 0.08 -0.02 12.44 2.12 -1.26 -3.78 118.70 126.47 1iy9 s GLU 1147Ca 0.22 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.82 1iy9 s GLU 1147Cb -0.12 -0.54 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1iy9 s GLU 1147CO 0.13 -0.28 0.01 0.27 -0.54 0.00 0.00 175.26 174.85 1iy9 n ASN 1148N 4.99 -0.10 -0.03 -1.70 6.94 0.14 -4.84 115.26 120.66 1iy9 n ASN 1148Ca -0.10 -0.02 -0.02 0.00 -0.02 0.00 0.00 54.58 54.42 1iy9 n ASN 1148Cb 0.50 -0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.84 1iy9 n ASN 1148CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iy9 n GLN 1149N -0.56 2.85 -4.73 -3.83 6.02 -0.00 -4.67 117.38 112.46 1iy9 n GLN 1149Ca -0.01 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1iy9 n GLN 1149Cb 0.01 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 1iy9 n GLN 1149CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1iy9 s TYR 1150N -2.16 2.60 -0.08 1.08 1.51 -0.94 -4.81 117.35 114.55 1iy9 s TYR 1150Ca -0.03 -0.23 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 1iy9 s TYR 1150Cb 0.02 -1.51 -0.29 0.00 -0.11 0.00 0.00 41.96 40.06 1iy9 s TYR 1150CO 0.24 0.23 0.79 -0.44 -1.11 0.00 0.00 175.55 175.26 1iy9 h ASP 1151N 4.76 0.34 -3.71 2.29 3.32 -0.99 0.18 116.42 122.61 1iy9 h ASP 1151Ca -0.47 -0.93 -0.40 0.00 0.02 0.00 0.00 57.03 55.25 1iy9 h ASP 1151Cb 1.15 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.28 1iy9 h ASP 1151CO 0.49 1.36 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.90 1iy9 s VAL 1152N -2.39 0.61 -0.16 -1.35 1.01 -1.20 -0.79 120.40 116.13 1iy9 s VAL 1152Ca -0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1iy9 s VAL 1152Cb 0.01 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.86 1iy9 s VAL 1152CO 0.78 0.21 -0.08 -0.63 0.00 0.00 0.00 175.10 175.38 1iy9 s ILE 1153N 0.37 1.28 -0.27 2.22 1.01 -0.60 -1.38 121.20 123.82 1iy9 s ILE 1153Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1iy9 s ILE 1153Cb -0.09 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1iy9 s ILE 1153CO 0.00 0.23 0.16 0.00 0.00 0.00 0.00 174.94 175.33 1iy9 s MET 1154N 1.57 3.89 -0.03 2.79 0.23 0.46 -1.73 119.30 126.49 1iy9 s MET 1154Ca 0.02 -0.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.32 1iy9 s MET 1154Cb -0.15 -3.56 -0.03 0.00 -1.53 0.00 0.00 34.83 29.55 1iy9 s MET 1154CO -0.08 -0.16 0.00 0.08 -2.03 0.00 0.00 175.02 172.83 1iy9 s VAL 1155N 1.66 4.23 -0.02 5.16 1.01 -0.12 -1.19 120.40 131.13 1iy9 s VAL 1155Ca 0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1iy9 s VAL 1155Cb -0.16 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1iy9 s VAL 1155CO 0.09 0.45 -0.00 -0.78 0.00 0.00 0.00 175.10 174.86 1iy9 h ASP 1156N 4.60 0.00 -2.91 3.32 3.58 -1.71 -3.33 116.42 119.98 1iy9 h ASP 1156Ca -0.49 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.31 1iy9 h ASP 1156Cb 1.18 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.17 1iy9 h ASP 1156CO 0.57 0.09 -0.52 -0.55 -2.88 0.00 0.00 179.24 175.94 1iy9 s SER 1157N -3.44 6.15 0.00 2.28 0.15 -1.26 -4.44 113.70 113.14 1iy9 s SER 1157Ca -0.00 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.17 1iy9 s SER 1157Cb 0.00 -1.88 0.51 0.00 -1.71 0.00 0.00 66.02 62.94 1iy9 s SER 1157CO 0.00 0.25 1.44 1.07 1.20 0.00 0.00 173.24 177.20 1iy9 n THR 1158N 0.90 0.00 -4.03 6.45 5.66 -1.26 -4.77 114.28 117.23 1iy9 n THR 1158Ca -0.11 -0.40 -0.31 0.00 -3.05 0.00 0.00 64.05 60.18 1iy9 n THR 1158Cb 0.52 1.13 -0.15 0.00 -1.55 0.00 0.00 70.33 70.28 1iy9 n THR 1158CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1iy9 s GLU 1159N -2.01 1.78 0.33 1.09 8.01 -1.26 -4.98 118.70 121.65 1iy9 s GLU 1159Ca 0.32 -1.60 -0.29 0.00 0.01 0.00 0.00 54.97 53.41 1iy9 s GLU 1159Cb 0.20 -3.02 -0.11 0.00 -4.31 0.00 0.00 34.13 26.90 1iy9 s GLU 1159CO 0.32 -0.77 1.45 -1.25 0.01 0.00 0.00 175.26 175.02 1iy9 s PRO 1160N 1.03 4.20 0.04 0.39 0.04 -1.26 -5.04 135.00 134.39 1iy9 s PRO 1160Ca 0.02 2.44 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1iy9 s PRO 1160Cb -0.19 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1iy9 s PRO 1160CO -0.07 -0.45 -0.18 0.08 0.04 0.00 0.00 177.00 176.42 1iy9 s VAL 1161N -0.72 1.40 0.00 -0.36 1.01 -1.26 -4.93 120.40 115.54 1iy9 s VAL 1161Ca 0.55 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1iy9 s VAL 1161Cb -0.44 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1iy9 s VAL 1161CO 0.54 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1iy9 n GLY 1162N 1.91 0.14 3.55 4.51 0.00 -1.26 -4.83 105.19 109.21 1iy9 n GLY 1162Ca -0.17 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1iy9 n GLY 1162CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iy9 n PRO 1163N 0.56 0.68 -1.77 1.61 -0.02 -1.26 -4.82 135.00 129.98 1iy9 n PRO 1163Ca 0.00 -0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 60.58 1iy9 n PRO 1163Cb 0.00 -3.42 -0.01 0.00 -0.02 0.00 0.00 33.50 30.05 1iy9 n PRO 1163CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iy9 n ALA 1164N 16.93 6.36 0.94 3.55 0.00 -1.26 -4.52 120.51 142.52 1iy9 n ALA 1164Ca 0.45 -3.90 0.13 0.00 0.00 0.00 0.00 53.44 50.12 1iy9 n ALA 1164Cb 0.45 -3.24 0.58 0.00 0.00 0.00 0.00 19.45 17.24 1iy9 n ALA 1164CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iy9 n VAL 1165N 3.67 0.13 -1.86 0.00 0.31 -1.26 -4.37 118.33 114.95 1iy9 n VAL 1165Ca 0.60 0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 64.57 1iy9 n VAL 1165Cb 0.31 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 1iy9 n VAL 1165CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iy9 n ASN 1166N -1.49 3.52 -1.17 4.52 3.02 -1.26 -4.59 115.26 117.80 1iy9 n ASN 1166Ca 0.07 -2.77 0.09 0.00 -0.03 0.00 0.00 54.58 51.94 1iy9 n ASN 1166Cb 0.32 -1.55 0.27 0.00 -0.61 0.00 0.00 39.78 38.21 1iy9 n ASN 1166CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1iy9 n LEU 1167N 9.35 3.39 -4.67 3.41 -0.00 -1.26 -3.85 117.00 123.37 1iy9 n LEU 1167Ca 0.49 -1.70 -0.31 0.00 -0.00 0.00 0.00 56.01 54.49 1iy9 n LEU 1167Cb 0.43 -0.43 0.17 0.00 -0.00 0.00 0.00 43.42 43.59 1iy9 n LEU 1167CO 0.85 0.78 0.66 -0.36 -0.00 0.00 0.00 177.39 179.32 1iy9 s PHE 1168N -1.31 1.74 0.20 1.96 0.40 -1.26 -4.70 117.98 115.00 1iy9 s PHE 1168Ca 0.41 1.68 -0.33 0.00 -0.60 0.00 0.00 56.93 58.09 1iy9 s PHE 1168Cb 0.22 -3.27 -0.13 0.00 0.51 0.00 0.00 43.02 40.35 1iy9 s PHE 1168CO 0.26 -2.79 1.60 2.41 0.70 0.00 0.00 175.22 177.41 1iy9 n THR 1169N -4.21 0.23 -4.10 0.64 -1.04 -1.26 0.17 114.28 104.71 1iy9 n THR 1169Ca 0.10 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 1iy9 n THR 1169Cb 0.53 -1.71 -0.02 0.00 -1.82 0.00 0.00 70.33 67.30 1iy9 n THR 1169CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1iy9 n LYS 1170N 3.27 -3.27 0.00 -2.82 0.00 -1.26 -4.57 118.16 109.51 1iy9 n LYS 1170Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 58.31 58.85 1iy9 n LYS 1170Cb 0.32 -4.83 0.00 0.00 0.00 0.00 0.00 35.03 30.51 1iy9 n LYS 1170CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iy9 n GLY 1171N -1.70 0.00 0.38 3.14 0.00 0.45 -2.88 105.19 104.59 1iy9 n GLY 1171Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1iy9 n GLY 1171CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iy9 h PHE 1172N 0.00 -1.21 -0.75 1.61 3.57 -1.85 0.19 116.94 118.49 1iy9 h PHE 1172Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1iy9 h PHE 1172Cb 0.00 0.61 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1iy9 h PHE 1172CO 0.00 -0.42 0.31 1.88 -2.23 0.00 0.00 178.31 177.85 1iy9 h TYR 1173N -0.23 1.11 -0.03 0.41 -1.99 -1.85 0.27 116.97 114.67 1iy9 h TYR 1173Ca 0.18 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1iy9 h TYR 1173Cb 0.56 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1iy9 h TYR 1173CO -0.69 0.84 -0.46 0.00 -0.00 0.00 0.00 178.16 177.85 1iy9 h ALA 1174N 1.26 1.17 -0.63 3.88 0.00 -1.57 0.43 119.26 123.80 1iy9 h ALA 1174Ca 0.25 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1iy9 h ALA 1174Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1iy9 h ALA 1174CO -0.02 0.60 0.07 0.78 0.00 0.00 0.00 179.25 180.67 1iy9 h GLY 1175N 1.36 1.14 1.03 0.00 0.00 0.75 -0.83 103.07 106.52 1iy9 h GLY 1175Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 1iy9 h GLY 1175CO 0.06 0.72 -0.36 -2.22 0.00 0.00 0.00 176.54 174.74 1iy9 h ILE 1176N 0.98 1.29 -0.78 2.60 2.04 -0.57 -2.30 117.51 120.78 1iy9 h ILE 1176Ca 0.19 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.52 1iy9 h ILE 1176Cb 0.47 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1iy9 h ILE 1176CO 0.02 0.50 0.51 0.00 0.00 0.00 0.00 178.15 179.18 1iy9 h ALA 1177N 0.70 1.01 -0.91 1.87 0.00 -0.69 -0.31 119.26 120.94 1iy9 h ALA 1177Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1iy9 h ALA 1177Cb 0.95 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1iy9 h ALA 1177CO 0.09 0.36 0.60 -0.22 0.00 0.00 0.00 179.25 180.07 1iy9 h LYS 1178N 1.02 1.20 0.00 0.00 3.64 -0.97 -2.35 116.57 119.10 1iy9 h LYS 1178Ca 0.30 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1iy9 h LYS 1178Cb -0.06 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 1iy9 h LYS 1178CO -0.09 0.80 -0.37 0.00 -2.27 0.00 0.00 179.45 177.52 1iy9 h ALA 1179N 1.33 0.92 -2.18 5.00 0.00 -0.80 0.40 119.26 123.94 1iy9 h ALA 1179Ca 0.33 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1iy9 h ALA 1179Cb -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1iy9 h ALA 1179CO -0.07 0.46 0.34 -0.51 0.00 0.00 0.00 179.25 179.47 1iy9 s LEU 1180N -6.86 3.71 0.95 0.00 1.43 -0.20 -0.82 118.68 116.89 1iy9 s LEU 1180Ca 0.01 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.54 1iy9 s LEU 1180Cb 0.10 -4.47 0.16 0.00 0.03 0.00 0.00 46.19 42.01 1iy9 s LEU 1180CO 0.69 -0.52 1.13 -0.54 0.23 0.00 0.00 176.35 177.34 1iy9 s LYS 1181N -3.86 0.84 0.60 1.70 1.02 0.65 -3.80 119.74 116.89 1iy9 s LYS 1181Ca 0.59 0.31 0.28 0.00 0.02 0.00 0.00 55.97 57.17 1iy9 s LYS 1181Cb -0.10 -1.80 1.43 0.00 -0.52 0.00 0.00 37.83 36.84 1iy9 s LYS 1181CO 0.27 -2.41 1.84 1.05 -0.92 0.00 0.00 175.35 175.19 1iy9 h GLU 1182N -1.65 0.00 -0.02 1.68 4.11 -1.92 0.41 114.58 117.20 1iy9 h GLU 1182Ca -0.51 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.88 1iy9 h GLU 1182Cb 1.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1iy9 h GLU 1182CO 0.59 0.00 -0.57 -0.40 0.07 0.00 0.00 179.01 178.70 1iy9 n ASP 1183N -3.54 1.69 -4.65 3.06 3.85 -1.26 -4.71 116.55 110.99 1iy9 n ASP 1183Ca 0.08 -3.68 -0.29 0.00 -0.71 0.00 0.00 54.79 50.19 1iy9 n ASP 1183Cb 0.70 -0.50 0.18 0.00 -1.35 0.00 0.00 41.12 40.15 1iy9 n ASP 1183CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1iy9 s GLY 1184N -3.10 1.57 0.01 6.12 0.00 0.13 -4.60 107.32 107.45 1iy9 s GLY 1184Ca 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 1iy9 s GLY 1184CO -0.08 0.38 -0.01 -0.42 0.00 0.00 0.00 173.10 172.97 1iy9 s ILE 1185N -2.85 0.05 0.04 0.90 1.01 0.03 -1.94 121.20 118.45 1iy9 s ILE 1185Ca 0.66 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1iy9 s ILE 1185Cb -0.20 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1iy9 s ILE 1185CO 0.59 -0.21 -0.06 0.72 0.00 0.00 0.00 174.94 175.98 1iy9 s PHE 1186N -0.61 0.60 0.02 3.97 -0.12 0.09 -1.56 117.98 120.36 1iy9 s PHE 1186Ca -0.07 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1iy9 s PHE 1186Cb -0.04 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 1iy9 s PHE 1186CO -0.00 -0.13 -0.10 0.08 -0.05 0.00 0.00 175.22 175.01 1iy9 s VAL 1187N -1.81 0.78 -0.09 -2.49 1.01 -0.70 -1.10 120.40 115.99 1iy9 s VAL 1187Ca -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1iy9 s VAL 1187Cb -0.07 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1iy9 s VAL 1187CO -0.01 0.01 0.22 0.00 0.00 0.00 0.00 175.10 175.32 1iy9 s ALA 1188N -0.65 -0.49 0.51 5.51 0.00 -0.44 -0.95 121.76 125.26 1iy9 s ALA 1188Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1iy9 s ALA 1188Cb -0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1iy9 s ALA 1188CO 0.00 -0.18 1.25 1.14 0.00 0.00 0.00 175.76 177.98 1iy9 s GLN 1189N 1.13 3.40 -0.31 0.00 -2.07 -1.25 -0.62 119.66 119.94 1iy9 s GLN 1189Ca -0.08 1.98 0.19 0.00 -1.82 0.00 0.00 55.36 55.63 1iy9 s GLN 1189Cb -0.10 -2.28 0.47 0.00 -1.09 0.00 0.00 33.01 30.01 1iy9 s GLN 1189CO -0.07 -0.91 0.99 -2.37 -1.32 0.00 0.00 175.29 171.61 1iy9 n THR 1190N -0.85 1.06 -4.17 3.63 5.66 0.96 -4.77 114.28 115.79 1iy9 n THR 1190Ca 0.09 -3.03 0.00 0.00 -3.05 0.00 0.00 64.05 58.06 1iy9 n THR 1190Cb 0.47 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 1iy9 n THR 1190CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1iy9 n ASP 1191N -0.18 -2.37 -4.70 1.09 8.00 -1.25 -4.46 116.55 112.68 1iy9 n ASP 1191Ca 0.09 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 1iy9 n ASP 1191Cb 0.82 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.85 1iy9 n ASP 1191CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy9 s ASN 1192N -4.00 4.91 0.00 -2.24 2.20 -1.26 -0.55 114.94 114.00 1iy9 s ASN 1192Ca 0.00 -0.41 0.29 0.00 -0.94 0.00 0.00 52.86 51.80 1iy9 s ASN 1192Cb 0.00 -1.08 1.23 0.00 -2.00 0.00 0.00 41.25 39.40 1iy9 s ASN 1192CO 0.00 0.05 1.86 -0.81 -2.94 0.00 0.00 177.10 175.25 1iy9 n PRO 1193N -0.49 0.79 0.01 3.55 -0.04 -1.26 -3.50 135.00 134.06 1iy9 n PRO 1193Ca -0.08 -0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 62.88 1iy9 n PRO 1193Cb 0.56 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1iy9 n PRO 1193CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iy9 h TRP 1194N 0.70 0.46 0.00 0.54 4.06 -1.94 -3.38 115.95 116.40 1iy9 h TRP 1194Ca 0.00 -0.34 -0.07 0.00 2.06 0.00 0.00 58.89 60.54 1iy9 h TRP 1194Cb 0.35 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1iy9 h TRP 1194CO 0.00 1.72 -1.46 1.19 -3.56 0.00 0.00 178.44 176.33 1iy9 n PHE 1195N -3.45 0.00 -2.85 0.49 0.99 -1.26 -4.73 117.46 106.64 1iy9 n PHE 1195Ca -0.30 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 56.95 1iy9 n PHE 1195Cb 1.05 -0.29 -0.01 0.00 -1.00 0.00 0.00 39.48 39.23 1iy9 n PHE 1195CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iy9 n THR 1196N -2.04 1.46 0.25 4.37 -2.24 -1.23 -4.90 114.28 109.95 1iy9 n THR 1196Ca -0.07 -4.54 0.10 0.00 -2.27 0.00 0.00 64.05 57.27 1iy9 n THR 1196Cb 0.48 -0.53 0.64 0.00 -2.10 0.00 0.00 70.33 68.83 1iy9 n THR 1196CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1iy9 h PRO 1197N 2.91 0.00 -0.83 -0.78 0.13 -1.74 -2.92 132.00 128.77 1iy9 h PRO 1197Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 1iy9 h PRO 1197Cb 0.89 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 1iy9 h PRO 1197CO 0.65 0.16 0.47 0.93 -0.23 0.00 0.00 178.00 179.98 1iy9 h GLU 1198N 0.00 0.74 -1.00 0.86 4.39 -1.91 -2.07 114.58 115.59 1iy9 h GLU 1198Ca -0.00 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.70 1iy9 h GLU 1198Cb 0.37 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1iy9 h GLU 1198CO 0.02 0.49 0.65 1.25 -1.16 0.00 0.00 179.01 180.27 1iy9 h LEU 1199N 0.77 1.08 -0.48 1.33 6.46 -1.89 -1.16 115.31 121.43 1iy9 h LEU 1199Ca 0.41 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.10 1iy9 h LEU 1199Cb 0.40 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1iy9 h LEU 1199CO -0.26 0.72 0.07 0.40 -0.62 0.00 0.00 178.44 178.75 1iy9 h ILE 1200N 1.24 1.25 0.30 4.05 2.04 -1.51 -1.46 117.51 123.42 1iy9 h ILE 1200Ca 0.41 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1iy9 h ILE 1200Cb 0.06 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1iy9 h ILE 1200CO -0.14 0.33 -0.15 0.74 0.00 0.00 0.00 178.15 178.93 1iy9 h THR 1201N 0.66 0.72 0.10 -0.27 2.02 -1.22 -1.67 112.91 113.26 1iy9 h THR 1201Ca 0.14 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1iy9 h THR 1201Cb 0.40 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1iy9 h THR 1201CO 0.01 0.03 -0.07 0.78 0.37 0.00 0.00 175.52 176.65 1iy9 h ASN 1202N -0.49 -0.17 -0.41 4.18 2.35 -1.21 -1.66 115.58 118.17 1iy9 h ASN 1202Ca -0.04 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1iy9 h ASN 1202Cb 0.37 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1iy9 h ASN 1202CO 0.07 -0.11 0.12 0.58 -1.65 0.00 0.00 177.43 176.44 1iy9 h VAL 1203N -0.17 1.22 -0.61 2.81 2.07 -1.33 -0.33 116.25 119.91 1iy9 h VAL 1203Ca -0.01 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1iy9 h VAL 1203Cb 0.15 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1iy9 h VAL 1203CO 0.01 0.26 0.31 -0.61 0.02 0.00 0.00 177.57 177.55 1iy9 h GLN 1204N 0.52 0.56 -0.15 1.57 5.75 -1.24 0.16 115.11 122.27 1iy9 h GLN 1204Ca 0.13 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1iy9 h GLN 1204Cb 0.27 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1iy9 h GLN 1204CO -0.00 0.37 -0.07 -0.09 -2.65 0.00 0.00 178.83 176.39 1iy9 h ARG 1205N 0.58 0.32 -0.44 1.69 2.43 -1.15 -2.42 114.38 115.39 1iy9 h ARG 1205Ca 0.28 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1iy9 h ARG 1205Cb 0.22 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1iy9 h ARG 1205CO -0.20 0.63 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.44 1iy9 h ASP 1206N -0.01 0.69 -0.00 -3.80 3.32 -0.78 -2.52 116.42 113.33 1iy9 h ASP 1206Ca 0.04 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 1iy9 h ASP 1206Cb 0.53 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1iy9 h ASP 1206CO 0.02 0.77 -0.64 0.58 -1.72 0.00 0.00 179.24 178.25 1iy9 h VAL 1207N 0.68 1.32 0.00 -1.35 2.07 -0.72 -3.01 116.25 115.23 1iy9 h VAL 1207Ca 0.13 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.71 1iy9 h VAL 1207Cb 0.43 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1iy9 h VAL 1207CO 0.02 0.59 -0.17 0.50 0.02 0.00 0.00 177.57 178.53 1iy9 h LYS 1208N 0.45 0.00 0.00 1.57 1.63 -1.22 -0.68 116.57 118.33 1iy9 h LYS 1208Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1iy9 h LYS 1208Cb 1.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1iy9 h LYS 1208CO 0.12 0.17 -0.02 0.93 -3.45 0.00 0.00 179.45 177.21 1iy9 h GLU 1209N 0.00 0.00 0.00 1.90 5.08 -1.31 -3.27 114.58 116.98 1iy9 h GLU 1209Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iy9 h GLU 1209Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1iy9 h GLU 1209CO 0.02 0.02 -0.86 0.44 -1.00 0.00 0.00 179.01 177.63 1iy9 n ILE 1210N -3.47 0.00 -4.60 3.13 -5.35 -0.57 -5.03 119.36 103.47 1iy9 n ILE 1210Ca -0.03 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1iy9 n ILE 1210Cb 0.11 0.32 -0.13 0.00 -1.74 0.00 0.00 39.64 38.20 1iy9 n ILE 1210CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1iy9 s PHE 1211N -1.73 2.92 0.46 4.28 0.40 -0.37 -5.00 117.98 118.93 1iy9 s PHE 1211Ca 0.00 -0.30 0.13 0.00 -0.60 0.00 0.00 56.93 56.16 1iy9 s PHE 1211Cb 0.00 -1.84 1.03 0.00 0.51 0.00 0.00 43.02 42.72 1iy9 s PHE 1211CO 0.00 0.02 2.03 -1.00 0.70 0.00 0.00 175.22 176.97 1iy9 h PRO 1212N 6.24 0.08 -4.87 0.24 0.13 -1.83 -3.40 132.00 128.59 1iy9 h PRO 1212Ca -0.35 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.09 1iy9 h PRO 1212Cb 1.19 -0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 1iy9 h PRO 1212CO 0.57 0.18 -0.72 0.42 -0.23 0.00 0.00 178.00 178.21 1iy9 s ILE 1213N -4.84 3.01 -0.24 -3.56 1.01 -1.00 -5.04 121.20 110.54 1iy9 s ILE 1213Ca -0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1iy9 s ILE 1213Cb 0.16 -2.57 0.08 0.00 0.01 0.00 0.00 42.46 40.13 1iy9 s ILE 1213CO 0.70 0.12 0.06 -0.89 0.00 0.00 0.00 174.94 174.92 1iy9 s THR 1214N 1.33 0.64 0.41 2.92 2.01 -1.26 -0.68 115.64 121.02 1iy9 s THR 1214Ca -0.01 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1iy9 s THR 1214Cb -0.17 -1.27 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 1iy9 s THR 1214CO -0.03 -0.38 0.10 -0.54 -0.69 0.00 0.00 174.62 173.07 1iy9 s LYS 1215N 1.78 2.10 -0.06 4.92 -0.14 -0.78 -4.98 119.74 122.57 1iy9 s LYS 1215Ca 0.03 -1.98 0.01 0.00 -1.36 0.00 0.00 55.97 52.66 1iy9 s LYS 1215Cb -0.17 -1.81 0.02 0.00 -1.68 0.00 0.00 37.83 34.19 1iy9 s LYS 1215CO -0.15 -0.09 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.12 1iy9 s LEU 1216N -3.81 1.27 0.36 3.17 2.96 -1.26 -1.69 118.68 119.68 1iy9 s LEU 1216Ca 0.38 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1iy9 s LEU 1216Cb 0.07 -0.60 -0.07 0.00 0.50 0.00 0.00 46.19 46.09 1iy9 s LEU 1216CO 0.20 -0.06 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.38 1iy9 s TYR 1217N 1.14 2.43 0.26 5.38 -0.85 0.41 -4.58 117.35 121.54 1iy9 s TYR 1217Ca -0.07 -0.55 0.10 0.00 -0.52 0.00 0.00 57.07 56.03 1iy9 s TYR 1217Cb -0.14 -1.50 -0.05 0.00 0.38 0.00 0.00 41.96 40.65 1iy9 s TYR 1217CO -0.01 0.54 -0.17 0.99 -1.52 0.00 0.00 175.55 175.38 1iy9 s THR 1218N -2.64 2.21 -0.10 -3.49 2.01 0.51 -0.58 115.64 113.56 1iy9 s THR 1218Ca 0.33 -2.33 -0.30 0.00 0.31 0.00 0.00 61.69 59.70 1iy9 s THR 1218Cb 0.05 -2.26 0.10 0.00 0.01 0.00 0.00 72.50 70.40 1iy9 s THR 1218CO 0.17 -0.44 0.84 0.00 -0.69 0.00 0.00 174.62 174.50 1iy9 s ALA 1219N -2.67 -1.85 -0.43 7.40 0.00 -0.94 -4.74 121.76 118.52 1iy9 s ALA 1219Ca 0.28 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.48 1iy9 s ALA 1219Cb -0.03 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1iy9 s ALA 1219CO 0.13 -0.35 0.60 1.21 0.00 0.00 0.00 175.76 177.35 1iy9 s ASN 1220N -1.19 6.30 -0.32 0.00 2.47 -1.26 -0.63 114.94 120.31 1iy9 s ASN 1220Ca -0.06 -0.40 0.03 0.00 0.42 0.00 0.00 52.86 52.85 1iy9 s ASN 1220Cb -0.00 -2.30 0.09 0.00 -1.45 0.00 0.00 41.25 37.59 1iy9 s ASN 1220CO 0.05 -0.73 0.03 -0.63 -3.72 0.00 0.00 177.10 172.10 1iy9 s ILE 1221N 2.67 2.09 0.65 -5.21 1.01 -1.08 -4.92 121.20 116.42 1iy9 s ILE 1221Ca 0.20 -2.11 0.35 0.00 0.00 0.00 0.00 60.65 59.09 1iy9 s ILE 1221Cb -0.15 -2.49 0.37 0.00 0.01 0.00 0.00 42.46 40.19 1iy9 s ILE 1221CO 0.18 -0.51 2.11 1.55 0.00 0.00 0.00 174.94 178.27 1iy9 h PRO 1222N 7.69 0.00 -0.03 2.79 0.13 -1.94 -1.86 132.00 138.79 1iy9 h PRO 1222Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1iy9 h PRO 1222Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1iy9 h PRO 1222CO 0.50 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.68 1iy9 n THR 1223N -3.14 0.01 -4.15 1.56 -1.04 -1.26 -4.77 114.28 101.48 1iy9 n THR 1223Ca -0.01 -0.43 -0.27 0.00 -2.04 0.00 0.00 64.05 61.30 1iy9 n THR 1223Cb 0.27 1.20 -0.07 0.00 -1.82 0.00 0.00 70.33 69.91 1iy9 n THR 1223CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1iy9 s TYR 1224N -1.99 2.98 -0.26 -1.42 1.51 -0.70 -4.85 117.35 112.62 1iy9 s TYR 1224Ca 0.31 -0.08 -0.42 0.00 -1.01 0.00 0.00 57.07 55.88 1iy9 s TYR 1224Cb 0.20 -1.45 -0.17 0.00 -0.11 0.00 0.00 41.96 40.43 1iy9 s TYR 1224CO 0.31 0.52 1.58 -2.30 -1.11 0.00 0.00 175.55 174.55 1iy9 n PRO 1225N -0.14 0.72 0.00 -1.71 -0.02 -1.26 -1.51 135.00 131.07 1iy9 n PRO 1225Ca -0.09 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1iy9 n PRO 1225Cb 0.55 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1iy9 n PRO 1225CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iy9 n SER 1226N 4.19 0.00 0.00 2.55 3.41 -1.26 -3.95 113.62 118.56 1iy9 n SER 1226Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1iy9 n SER 1226Cb 0.08 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1iy9 n SER 1226CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iy9 n GLY 1227N -1.97 1.43 2.93 5.00 0.00 -0.57 -4.98 105.19 107.03 1iy9 n GLY 1227Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1iy9 n GLY 1227CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iy9 s LEU 1228N 0.00 1.55 0.22 0.99 2.96 -1.25 -2.65 118.68 120.50 1iy9 s LEU 1228Ca 0.00 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1iy9 s LEU 1228Cb 0.00 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.68 1iy9 s LEU 1228CO 0.00 -0.13 0.09 0.86 -1.32 0.00 0.00 176.35 175.85 1iy9 s TRP 1229N 1.61 2.95 0.06 5.38 -0.00 0.20 -4.36 118.94 124.77 1iy9 s TRP 1229Ca 0.03 -0.13 0.07 0.00 -0.00 0.00 0.00 56.10 56.07 1iy9 s TRP 1229Cb -0.14 -1.36 -0.03 0.00 -0.00 0.00 0.00 33.47 31.95 1iy9 s TRP 1229CO -0.09 0.55 -0.20 0.99 -0.00 0.00 0.00 176.95 178.20 1iy9 s THR 1230N -2.04 1.66 -0.03 5.86 2.01 0.29 -2.22 115.64 121.17 1iy9 s THR 1230Ca 0.31 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1iy9 s THR 1230Cb -0.08 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1iy9 s THR 1230CO 0.22 0.14 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.88 1iy9 s PHE 1231N -0.87 0.70 -0.20 4.92 0.40 0.25 -0.03 117.98 123.15 1iy9 s PHE 1231Ca 0.07 -0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1iy9 s PHE 1231Cb -0.09 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 1iy9 s PHE 1231CO 0.02 -0.13 0.10 0.99 0.70 0.00 0.00 175.22 176.91 1iy9 s THR 1232N 0.55 5.08 -0.17 0.64 2.01 0.21 -0.45 115.64 123.50 1iy9 s THR 1232Ca -0.07 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1iy9 s THR 1232Cb -0.11 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1iy9 s THR 1232CO 0.00 0.42 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.68 1iy9 s ILE 1233N 0.57 2.39 -0.21 1.82 2.07 -0.68 -1.32 121.20 125.84 1iy9 s ILE 1233Ca 0.06 -0.84 -0.03 0.00 -1.41 0.00 0.00 60.65 58.42 1iy9 s ILE 1233Cb -0.12 -2.01 -0.01 0.00 0.13 0.00 0.00 42.46 40.44 1iy9 s ILE 1233CO 0.01 0.52 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.67 1iy9 s GLY 1234N 1.13 1.60 0.02 1.50 0.00 -0.26 -1.86 107.32 109.45 1iy9 s GLY 1234Ca 0.01 -1.13 0.06 0.00 0.00 0.00 0.00 44.72 43.66 1iy9 s GLY 1234CO -0.07 0.35 -0.18 -0.45 0.00 0.00 0.00 173.10 172.75 1iy9 s SER 1235N 1.33 2.15 0.11 1.64 0.15 0.14 -0.73 113.70 118.50 1iy9 s SER 1235Ca 0.04 -0.43 0.18 0.00 0.70 0.00 0.00 55.95 56.44 1iy9 s SER 1235Cb -0.14 -0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 63.89 1iy9 s SER 1235CO -0.03 0.16 0.92 0.11 1.20 0.00 0.00 173.24 175.60 1iy9 h LYS 1236N 5.21 0.00 0.00 5.44 1.57 -1.67 -2.64 116.57 124.48 1iy9 h LYS 1236Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1iy9 h LYS 1236Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1iy9 h LYS 1236CO 0.46 0.22 0.00 1.17 -0.57 0.00 0.00 179.45 180.72 1iy9 n LYS 1237N -2.85 0.00 -3.21 3.15 4.81 -1.26 -4.70 118.16 114.10 1iy9 n LYS 1237Ca -0.06 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 1iy9 n LYS 1237Cb 0.75 -0.22 -0.06 0.00 0.02 0.00 0.00 35.03 35.53 1iy9 n LYS 1237CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1iy9 s TYR 1238N -1.32 3.68 -0.18 5.64 1.51 -1.26 -5.05 117.35 120.38 1iy9 s TYR 1238Ca 0.00 1.20 -0.19 0.00 -1.01 0.00 0.00 57.07 57.06 1iy9 s TYR 1238Cb 0.00 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1iy9 s TYR 1238CO 0.00 0.36 0.56 0.34 -1.11 0.00 0.00 175.55 175.70 1iy9 s ASP 1239N -0.20 6.65 0.49 2.29 -1.08 -1.26 -4.81 116.67 118.75 1iy9 s ASP 1239Ca 0.31 0.78 0.33 0.00 -0.52 0.00 0.00 52.55 53.45 1iy9 s ASP 1239Cb -0.18 -2.32 1.63 0.00 -1.46 0.00 0.00 42.92 40.59 1iy9 s ASP 1239CO 0.17 -0.19 2.00 1.55 0.52 0.00 0.00 175.17 179.23 1iy9 h PRO 1240N 7.33 0.00 -0.17 4.34 0.13 -1.95 -1.78 132.00 139.91 1iy9 h PRO 1240Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1iy9 h PRO 1240Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iy9 h PRO 1240CO 0.75 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.80 1iy9 n LEU 1241N -2.76 2.51 -0.71 1.56 4.77 -1.26 -3.97 117.00 117.14 1iy9 n LEU 1241Ca -0.01 -0.97 0.07 0.00 -0.03 0.00 0.00 56.01 55.07 1iy9 n LEU 1241Cb 0.15 -0.10 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 1iy9 n LEU 1241CO 0.20 0.48 0.65 0.00 -1.33 0.00 0.00 177.39 177.39 1iy9 n ALA 1242N 0.91 2.46 -1.80 -1.18 0.00 -0.67 -5.02 120.51 115.22 1iy9 n ALA 1242Ca 0.17 -1.55 -0.42 0.00 0.00 0.00 0.00 53.44 51.64 1iy9 n ALA 1242Cb 0.49 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1iy9 n ALA 1242CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iy9 s VAL 1243N -1.64 2.23 0.37 0.00 1.01 -1.25 -4.94 120.40 116.18 1iy9 s VAL 1243Ca 0.29 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 1iy9 s VAL 1243Cb 0.20 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 1iy9 s VAL 1243CO 0.13 0.02 1.17 -1.61 0.00 0.00 0.00 175.10 174.81 1iy9 s GLU 1244N 0.30 4.22 0.25 2.72 0.41 -1.26 -4.94 118.70 120.40 1iy9 s GLU 1244Ca 0.67 1.86 -0.06 0.00 -0.41 0.00 0.00 54.97 57.03 1iy9 s GLU 1244Cb -0.47 -2.82 0.26 0.00 -1.78 0.00 0.00 34.13 29.31 1iy9 s GLU 1244CO 0.40 -0.18 1.92 0.22 -0.49 0.00 0.00 175.26 177.13 1iy9 h ASP 1245N 2.97 1.12 0.49 -0.19 1.82 -1.98 -1.60 116.42 119.05 1iy9 h ASP 1245Ca -0.48 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1iy9 h ASP 1245Cb 1.23 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1iy9 h ASP 1245CO 0.64 0.81 0.00 0.77 -1.61 0.00 0.00 179.24 179.84 1iy9 h SER 1246N 1.32 0.00 -0.12 2.28 4.64 -2.03 -2.81 113.55 116.84 1iy9 h SER 1246Ca 0.36 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1iy9 h SER 1246Cb -0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1iy9 h SER 1246CO -0.08 0.00 -0.18 -0.09 -0.87 0.00 0.00 176.83 175.60 1iy9 h ARG 1247N 0.00 0.52 -7.20 4.77 1.12 -1.67 -3.44 114.38 108.48 1iy9 h ARG 1247Ca 0.00 -0.17 -0.50 0.00 -1.11 0.00 0.00 59.98 58.20 1iy9 h ARG 1247Cb 0.24 -0.04 0.07 0.00 -0.01 0.00 0.00 29.97 30.23 1iy9 h ARG 1247CO 0.00 0.68 0.38 -0.06 -3.11 0.00 0.00 179.97 177.86 1iy9 s PHE 1248N -4.63 2.93 0.07 2.20 0.40 -1.06 -5.07 117.98 112.83 1iy9 s PHE 1248Ca -0.07 1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 57.70 1iy9 s PHE 1248Cb 0.14 -3.03 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 1iy9 s PHE 1248CO 0.79 -1.21 0.14 -0.59 0.70 0.00 0.00 175.22 175.05 1iy9 s PHE 1249N -2.45 0.22 0.19 0.36 -0.12 -1.26 -5.08 117.98 109.84 1iy9 s PHE 1249Ca 0.64 -0.65 -0.32 0.00 -0.05 0.00 0.00 56.93 56.55 1iy9 s PHE 1249Cb -0.17 -0.13 -0.12 0.00 -0.63 0.00 0.00 43.02 41.97 1iy9 s PHE 1249CO 0.38 -0.48 1.72 -0.25 -0.05 0.00 0.00 175.22 176.53 1iy9 n ASP 1250N 0.12 3.86 -3.80 1.98 8.00 -1.26 -4.98 116.55 120.46 1iy9 n ASP 1250Ca -0.16 1.06 -0.13 0.00 0.71 0.00 0.00 54.79 56.28 1iy9 n ASP 1250Cb 0.61 -1.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.05 1iy9 n ASP 1250CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1iy9 s ILE 1251N 1.31 0.01 -0.32 0.53 2.07 -1.26 -5.12 121.20 118.41 1iy9 s ILE 1251Ca 0.76 -0.06 -0.25 0.00 -1.41 0.00 0.00 60.65 59.70 1iy9 s ILE 1251Cb -0.53 -0.32 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1iy9 s ILE 1251CO 0.34 -0.03 0.87 -0.70 -1.91 0.00 0.00 174.94 173.50 1iy9 s GLU 1252N -0.03 3.96 0.13 3.50 2.12 -1.26 -5.02 118.70 122.12 1iy9 s GLU 1252Ca -0.01 0.69 -0.05 0.00 0.36 0.00 0.00 54.97 55.96 1iy9 s GLU 1252Cb -0.02 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 1iy9 s GLU 1252CO 0.00 -0.76 0.16 0.95 -0.54 0.00 0.00 175.26 175.07 1iy9 s THR 1253N 3.17 0.10 -0.23 -1.70 -4.23 -1.26 -5.06 115.64 106.42 1iy9 s THR 1253Ca 0.36 -1.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1iy9 s THR 1253Cb -0.13 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1iy9 s THR 1253CO 0.14 -0.45 0.30 0.29 -0.54 0.00 0.00 174.62 174.36 1iy9 n LYS 1254N -0.13 3.52 0.06 3.99 5.02 -1.26 -4.89 118.16 124.48 1iy9 n LYS 1254Ca -0.08 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1iy9 n LYS 1254Cb 0.63 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1iy9 n LYS 1254CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iy9 n TYR 1255N -0.59 -0.87 -1.62 2.13 9.36 -1.26 -5.05 117.16 119.25 1iy9 n TYR 1255Ca 0.01 0.15 -0.41 0.00 3.32 0.00 0.00 57.90 60.97 1iy9 n TYR 1255Cb 0.06 0.36 0.01 0.00 -0.63 0.00 0.00 39.34 39.13 1iy9 n TYR 1255CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1iy9 n TYR 1256N -3.01 1.29 -3.65 2.98 9.36 -1.26 -4.95 117.16 117.93 1iy9 n TYR 1256Ca 0.00 0.55 -0.12 0.00 3.32 0.00 0.00 57.90 61.65 1iy9 n TYR 1256Cb 0.00 -2.25 -0.06 0.00 -0.63 0.00 0.00 39.34 36.40 1iy9 n TYR 1256CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1iy9 s THR 1257N -1.27 0.06 0.47 2.97 2.01 -1.26 -4.81 115.64 113.81 1iy9 s THR 1257Ca 0.63 -0.47 0.15 0.00 0.31 0.00 0.00 61.69 62.31 1iy9 s THR 1257Cb -0.55 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.17 1iy9 s THR 1257CO 0.57 -0.26 2.03 0.07 -0.69 0.00 0.00 174.62 176.34 1iy9 h LYS 1258N 2.87 0.00 0.13 4.92 2.10 -1.99 0.11 116.57 124.70 1iy9 h LYS 1258Ca -0.32 -0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.06 1iy9 h LYS 1258Cb 1.22 -0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.57 1iy9 h LYS 1258CO 0.44 0.14 -1.14 -0.44 -2.00 0.00 0.00 179.45 176.44 1iy9 h ASP 1259N 0.00 0.79 -0.32 7.07 3.45 -2.00 -3.11 116.42 122.29 1iy9 h ASP 1259Ca -0.00 -0.85 0.02 0.00 0.43 0.00 0.00 57.03 56.63 1iy9 h ASP 1259Cb 0.24 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1iy9 h ASP 1259CO 0.02 1.56 0.22 0.40 -1.57 0.00 0.00 179.24 179.86 1iy9 h ILE 1260N 0.13 1.05 -0.61 0.35 1.08 -1.74 0.47 117.51 118.23 1iy9 h ILE 1260Ca -0.18 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 64.28 1iy9 h ILE 1260Cb 1.84 0.63 -0.09 0.00 -3.07 0.00 0.00 36.82 36.14 1iy9 h ILE 1260CO 0.22 0.07 0.14 -0.74 -0.69 0.00 0.00 178.15 177.15 1iy9 h HIS 1261N 0.38 0.22 0.18 1.37 2.76 -0.74 0.13 115.15 119.45 1iy9 h HIS 1261Ca 0.13 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 57.99 1iy9 h HIS 1261Cb 0.04 -0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.00 1iy9 h HIS 1261CO -0.00 -0.03 -1.73 0.87 -1.30 0.00 0.00 177.93 175.75 1iy9 h LYS 1262N 0.27 0.37 0.00 5.26 1.57 -1.39 -3.37 116.57 119.29 1iy9 h LYS 1262Ca 0.32 -0.64 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1iy9 h LYS 1262Cb 0.48 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1iy9 h LYS 1262CO -0.41 1.31 -0.04 0.00 -0.57 0.00 0.00 179.45 179.74 1iy9 h ALA 1263N 0.09 1.86 0.00 3.86 0.00 -0.59 -1.94 119.26 122.55 1iy9 h ALA 1263Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iy9 h ALA 1263Cb 2.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1iy9 h ALA 1263CO 0.16 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1iy9 h ALA 1264N 1.96 1.00 -0.01 0.00 0.00 -0.90 -1.59 119.26 119.73 1iy9 h ALA 1264Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iy9 h ALA 1264Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iy9 h ALA 1264CO 0.01 0.00 -0.29 1.19 0.00 0.00 0.00 179.25 180.16 1iy9 n PHE 1265N -2.58 0.00 -2.79 0.00 3.01 -0.73 -0.36 117.46 114.01 1iy9 n PHE 1265Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1iy9 n PHE 1265Cb 0.13 -0.12 -0.04 0.00 -0.01 0.00 0.00 39.48 39.44 1iy9 n PHE 1265CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1iy9 s VAL 1266N -2.53 4.22 0.21 -4.37 1.01 -0.60 -4.93 120.40 113.41 1iy9 s VAL 1266Ca 0.23 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1iy9 s VAL 1266Cb 0.19 -4.70 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 1iy9 s VAL 1266CO 0.53 -1.46 0.69 -0.76 0.00 0.00 0.00 175.10 174.10 1iy9 s LEU 1267N 4.37 4.34 0.53 3.92 1.02 -1.26 -4.98 118.68 126.61 1iy9 s LEU 1267Ca 0.26 1.34 -0.21 0.00 0.02 0.00 0.00 54.13 55.55 1iy9 s LEU 1267Cb -0.14 -3.52 -0.05 0.00 0.02 0.00 0.00 46.19 42.49 1iy9 s LEU 1267CO 0.13 0.04 1.25 -2.84 0.02 0.00 0.00 176.35 174.96 1iy9 s PRO 1268N -1.98 3.28 0.27 1.29 0.02 -1.26 -4.71 135.00 131.90 1iy9 s PRO 1268Ca 0.42 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 1iy9 s PRO 1268Cb -0.16 -2.20 0.51 0.00 0.02 0.00 0.00 34.50 32.67 1iy9 s PRO 1268CO 0.20 -1.00 1.59 -0.22 -0.33 0.00 0.00 177.00 177.24 1iy9 h LYS 1269N 1.46 0.02 0.00 5.54 1.63 -2.00 0.18 116.57 123.40 1iy9 h LYS 1269Ca -0.50 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1iy9 h LYS 1269Cb 1.28 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1iy9 h LYS 1269CO 0.57 0.01 -0.03 0.27 -3.45 0.00 0.00 179.45 176.83 1iy9 h PHE 1270N 0.02 0.00 0.17 1.91 -5.15 -2.00 -2.29 116.94 109.60 1iy9 h PHE 1270Ca 0.48 0.00 -0.31 0.00 -0.20 0.00 0.00 57.97 57.93 1iy9 h PHE 1270Cb 0.84 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.02 1iy9 h PHE 1270CO -0.59 0.03 -1.48 0.28 -2.00 0.00 0.00 178.31 174.54 1iy9 h VAL 1271N 0.00 1.25 -0.77 0.88 2.07 -1.01 -3.28 116.25 115.38 1iy9 h VAL 1271Ca -0.00 -2.79 -0.02 0.00 0.82 0.00 0.00 66.70 64.71 1iy9 h VAL 1271Cb 0.43 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 1iy9 h VAL 1271CO 0.00 0.84 0.41 0.28 0.02 0.00 0.00 177.57 179.13 1iy9 h SER 1272N 0.10 0.97 -0.32 0.57 0.02 -0.96 -1.80 113.55 112.13 1iy9 h SER 1272Ca -0.24 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1iy9 h SER 1272Cb 2.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 1iy9 h SER 1272CO 0.21 0.80 0.40 0.44 -1.14 0.00 0.00 176.83 177.54 1iy9 h ASP 1273N 1.07 0.00 0.71 3.07 5.19 -1.49 -0.67 116.42 124.30 1iy9 h ASP 1273Ca 0.27 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.55 1iy9 h ASP 1273Cb 0.05 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1iy9 h ASP 1273CO -0.04 0.00 -0.63 -0.07 -3.12 0.00 0.00 179.24 175.38 1iy9 h LEU 1274N 0.00 0.00 -1.80 1.55 3.38 -1.40 -3.52 115.31 113.52 1iy9 h LEU 1274Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1iy9 h LEU 1274Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1iy9 h LEU 1274CO -0.00 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.15